930	863	940	0:SP2_SP-NON_SP2	C	O	P	3:2:1:	3:	4:3:	C[5]-3:P-2:O-1:	C-3:	Ge-4:C-3:	C(C[5]N[5]2)(PGe)(O)	O(CC[5]P)	P(GeC[6a]3)(CC[5]O)	C(C[5]N[5]2)(PGe)(O)	O(CC[5]P)	P(GeC[6a]3)(CC[5]O)	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1	132.1100	0.000	1
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	3:1:	N-2:C-1:O-1:	C-3:	C-3:C-1:	C(NC)(C)(O)	O(CCN)	N(CCO)(C)	C(NC)(C)(O)	O(CCN)	N(CCO)(C)	62.5733	0.000	1	62.5733	0.000	1	62.5733	0.000	1	62.5733	0.000	1	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	3:3:	N-2:H-1:O-1:	C-3:	C-3:N-3:	C(NN)(H)(O)	O(CHN)	N(CHO)(NCH)	C(NN)(H)(O)	O(CHN)	N(CHO)(NCH)	124.2560	0.000	1	124.2560	0.000	1	124.2560	0.000	1	124.2560	0.000	1	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	4:3:	N-2:F-1:O-1:	C-3:	S-4:C-3:	C(NS)(F)(O)	O(CFN)	N(SCFF)(CFO)	C(NS)(F)(O)	O(CFN)	N(SCFF)(CFO)	133.9948	1.133	4	133.9948	1.283	4	132.7227	3.185	7	127.0209	159.717	24	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	4:3:	N-2:F-1:O-1:	C-3:	S-4:C-3:	C(NS)(F)(O)	O(CFN)	N(SFFO)(CFO)	C(NS)(F)(O)	O(CFN)	N(SFFO)(CFO)	131.0267	0.284	3	131.0267	0.081	3	132.7227	3.185	7	127.0209	159.717	24	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	4:3:	N-2:H-1:O-1:	C-3:	C-4:C-3:	C(NC)(H)(O)	O(CHN)	N(CCHH)(CHO)	C(NC)(H)(O)	O(CHN)	N(CCHH)(CHO)	125.1505	1.184	2	125.1505	1.403	2	124.6731	208.318	17	127.0209	159.717	24	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	4:3:	N-2:H-1:O-1:	C-3:	C-4:C-3:	C(NC)(H)(O)	O(CHN)	N(CCHO)(CHO)	C(NC)(H)(O)	O(CHN)	N(CCHO)(CHO)	125.3050	0.000	1	125.3050	0.000	1	124.6731	208.318	17	127.0209	159.717	24	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:1:1:	3:	4:3:	N-2:H-1:O-1:	C-3:	C-4:C-3:	C(NC)(H)(O)	O(CHN)	N(CH3)(CHO)	C(NC)(H)(O)	O(CHN)	N(CH3)(CHO)	124.5597	16.006	14	124.5597	256.204	14	124.6731	208.318	17	127.0209	159.717	24	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:1:	N-2:N-2:O-1:	C-3:	C-3:H-1:	C(NC[6a])(NH)(O)	O(CNN)	N(CNO)(H)	C(NC[6a])(NH)(O)	O(CNN)	N(CNO)(H)	122.1125	1.672	2	122.1125	2.797	2	122.1125	2.797	2	122.1125	2.797	2	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:2:	N-2:N-2:O-1:	C-3:	C-3:N-2:	C(NN)2(O)	O(CNN)	N(CNO)(NN)	C(NN)2(O)	O(CNN)	N(CNO)(NN)	122.6083	1.333	3	122.6083	1.777	3	122.6083	1.777	3	123.2632	3.898	6	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:2:	N-2:O-2:O-1:	C-3:	C-3:N-2:	C(NN)(OC)(O)	O(CNO)	N(COO)(NC)	C(NN)(OC)(O)	O(CNO)	N(COO)(NC)	123.7835	3.641	2	123.7835	13.256	2	123.7835	13.256	2	123.2632	3.898	6	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:2:	N-2:O-2:O-1:	C-3:	C-3:O-2:	C(NO)(OC)(O)	O(CNO)	N(COO)(OC)	C(NO)(OC)(O)	O(CNO)	N(COO)(OC)	124.1870	0.000	1	124.1870	0.000	1	124.1870	0.000	1	123.2632	3.898	6	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	C-2:N-2:O-1:	C-3:	C-3:C-3:	C(CC[6])(NC)(O)	O(CCN)	N(CCC)(CCO)	C(CC[6])(NC)(O)	O(CCN)	N(CCC)(CCO)	122.5630	0.000	1	122.5630	0.000	1	122.5630	0.000	1	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C-3:C-3:	C(NC)2(O)	O(CNN)	N(CC[6a]H)(CNO)	C(NC)2(O)	O(CNN)	N(CC[6a]H)(CNO)	121.8490	0.000	1	121.8490	0.000	1	120.3710	4.369	2	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C-3:C-3:	C(NC[6])(NC)(O)	O(CNN)	N(CC[6]N)(CNO)	C(NC[6])(NC)(O)	O(CNN)	N(CC[6]N)(CNO)	118.8930	0.000	1	118.8930	0.000	1	120.3710	4.369	2	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C-3:N-3:	C(NN)2(O)	O(CNN)	N(CNO)(NOO)	C(NN)2(O)	O(CNN)	N(CNO)(NOO)	131.9487	1.119	3	131.9487	1.251	3	131.9487	1.251	3	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(NC)(O)	O(CNN)	N(C[6]C[6]2)(CNO)	C(NC[6])(NC)(O)	O(CNN)	N(C[6]C[6]2)(CNO)	125.4600	0.000	1	125.4600	0.000	1	123.1710	4.026	3	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)	122.0265	0.439	2	122.0265	0.193	2	123.1710	4.026	3	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)	125.0880	0.000	1	125.0880	0.000	1	123.1886	1.491	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	123.6660	0.737	2	123.6660	0.543	2	123.1886	1.491	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])(NH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	122.2995	1.917	2	122.2995	3.675	2	123.1886	1.491	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)	C(NC[6a])2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)	123.1885	0.958	2	123.1885	0.918	2	123.1886	1.491	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	122.9197	1.132	4	122.9197	1.281	4	123.1886	1.491	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CCS)(COO)	C(NC)(OC)(O)	O(CNO)	N(CCS)(COO)	124.6020	0.000	1	124.6020	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[6a]C)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[6a]C)(COO)	125.1500	0.000	1	125.1500	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[6a]N[6])(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[6a]N[6])(COO)	124.2570	0.000	1	124.2570	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[6a]S)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[6a]S)(COO)	124.5990	0.000	1	124.5990	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CNN)(COO)	C(NC)(OC)(O)	O(CNO)	N(CNN)(COO)	129.2433	0.796	10	129.2433	0.634	10	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(CN[5]C)(COO)	C(NC)(OC)(O)	O(CNO)	N(CN[5]C)(COO)	130.0380	0.000	1	130.0380	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CNO)	N(COO)(COS)	C(NC)(OC)(O)	O(CNO)	N(COO)(COS)	127.6420	0.000	1	127.6420	0.000	1	128.0451	4.710	16	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:N-3:	C(NN)(OC)(O)	O(CNO)	N(COO)(NOO)	C(NN)(OC)(O)	O(CNO)	N(COO)(NOO)	131.1122	3.296	5	131.1122	10.862	5	131.1122	10.862	5	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:S-3:	C(NS)(OC)(O)	O(CNO)	N(COO)(SCC)	C(NS)(OC)(O)	O(CNO)	N(COO)(SCC)	131.6100	0.000	1	131.6100	0.000	1	131.6100	0.000	1	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5])(COO)	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5])(COO)	122.0110	0.000	1	122.0110	0.000	1	125.3805	12.812	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]N[5])(COO)	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]N[5])(COO)	128.0920	0.000	1	128.0920	0.000	1	125.3805	12.812	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CNO)	N(C[5]N[5]2)(COO)	C(NC[5])(OC)(O)	O(CNO)	N(C[5]N[5]2)(COO)	125.7095	4.417	2	125.7095	19.513	2	125.3805	12.812	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(OC)(O)	O(CNO)	N(C[5a]C[5a,6a]S[5a])(COO)	C(NC[5a])(OC)(O)	O(CNO)	N(C[5a]C[5a,6a]S[5a])(COO)	127.5804	0.540	10	127.5804	0.291	10	127.0492	3.366	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)	C(NC[5a])(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)	121.7370	0.000	1	121.7370	0.000	1	127.0492	3.366	11	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]2)(COO)	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]2)(COO)	127.4840	0.000	1	127.4840	0.000	1	125.5795	35.195	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(OC)(O)	O(CNO)	N(C[6]N[6]2)(COO)	C(NC[6])(OC)(O)	O(CNO)	N(C[6]N[6]2)(COO)	129.9680	0.000	1	129.9680	0.000	1	125.5795	35.195	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(OIr)(O)	O(CNO)	N(C[6]C[6]N[6])(COO)	C(NC[6])(OIr)(O)	O(CNO)	N(C[6]C[6]N[6])(COO)	116.8250	0.000	1	116.8250	0.000	1	125.5795	35.195	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(ON[6])(O)	O(CNO)	N(C[6]C[6]2)(COO)	C(NC[6])(ON[6])(O)	O(CNO)	N(C[6]C[6]2)(COO)	128.0410	0.000	1	128.0410	0.000	1	125.5795	35.195	4	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	125.7009	0.754	11	125.7009	0.568	11	125.9538	0.949	13	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[5])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC[5])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	126.5920	0.000	1	126.5920	0.000	1	125.9538	0.949	13	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)	128.0980	0.000	1	128.0980	0.000	1	125.9538	0.949	13	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	N-3:C-3:	C(NN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)	C(NN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)	124.8830	0.000	1	124.8830	0.000	1	125.0405	0.050	2	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	N-3:C-3:	C(NN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)	C(NN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)	125.1980	0.000	1	125.1980	0.000	1	125.0405	0.050	2	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	3:3:	O-2:N-2:O-1:	C-3:	C-3:C-3:	C(OC[6])(NC)(O)	O(CNO)	N(CNS)(COO)	C(OC[6])(NC)(O)	O(CNO)	N(CNS)(COO)	125.3120	0.000	1	125.3120	0.000	1	125.3120	0.000	1	126.4131	11.289	77	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	C-4:C-3:	C(NC)(NS)(O)	O(CNN)	N(CCHH)(CNO)	C(NC)(NS)(O)	O(CNN)	N(CCHH)(CNO)	124.4270	0.000	1	124.4270	0.000	1	123.1276	1.321	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	C-4:C-3:	C(NC)2(O)	O(CNN)	N(CCCH)(CNO)	C(NC)2(O)	O(CNN)	N(CCCH)(CNO)	123.8080	0.000	1	123.8080	0.000	1	123.1276	1.321	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	C-4:C-3:	C(NC)2(O)	O(CNN)	N(CCHH)(CNO)	C(NC)2(O)	O(CNN)	N(CCHH)(CNO)	121.9885	0.668	2	121.9885	0.447	2	123.1276	1.321	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	C-4:C-3:	C(NC)2(O)	O(CNN)	N(CH3)(CNO)	C(NC)2(O)	O(CNN)	N(CH3)(CNO)	123.4260	0.000	1	123.4260	0.000	1	123.1276	1.321	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6]C[6]2H)(CNO)	C(NC[6a])(NC[6])(O)	O(CNN)	N(C[6]C[6]2H)(CNO)	122.5450	0.000	1	122.5450	0.000	1	122.5450	0.000	1	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:N-2:O-1:	C-3:	S-4:C-3:	C(NC)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	C(NC)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC3)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC3)(COO)	124.9910	0.000	1	124.9910	0.000	1	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CCCH)(COO)	C(NC)(OC)(O)	O(CNO)	N(CCCH)(COO)	124.3278	0.683	13	124.3278	0.467	13	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CCHH)(COO)	C(NC)(OC)(O)	O(CNO)	N(CCHH)(COO)	125.3270	1.499	2	125.3270	2.247	2	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)	125.7070	0.000	1	125.7070	0.000	1	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[5a]C[6a]C)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[5a]C[6a]C)(COO)	126.5740	0.000	1	126.5740	0.000	1	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)	125.7470	0.000	1	125.7470	0.000	1	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)	125.4720	1.042	8	125.4720	1.086	8	124.9522	1.031	27	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)	125.2635	0.323	2	125.2635	0.104	2	124.7788	0.745	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)	C(NC[5])(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)	124.4557	1.023	3	124.4557	1.046	3	124.7788	0.745	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(NC[6,6])(OC)(O)	O(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C(NC[6,6])(OC)(O)	O(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)	124.9805	1.220	4	124.9805	1.488	4	125.5172	2.556	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]O[6]H)(COO)	C(NC[6])(OC)(O)	O(CNO)	N(C[6]C[6]O[6]H)(COO)	127.6640	0.000	1	127.6640	0.000	1	125.5172	2.556	5	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:	4:3:	O-2:N-2:O-1:	C-3:	C-4:C-3:	C(OSi)(NC)(O)	O(CNO)	N(CCHH)(COO)	C(OSi)(NC)(O)	O(CNO)	N(CCHH)(COO)	124.9265	0.097	2	124.9265	0.009	2	124.9265	0.009	2	124.6750	1.774	47	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(CCC)(O)	O(CCN)	N(C[6]C[6,6]C[6])(CCO)	C(NC[6])(CCC)(O)	O(CCN)	N(C[6]C[6,6]C[6])(CCO)	123.2515	0.330	2	123.2515	0.109	2	123.2515	0.109	2	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	120.2700	1.913	5	120.2700	3.659	5	122.1797	9.175	9	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.3810	0.000	1	122.3810	0.000	1	122.1797	9.175	9	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.6130	0.000	1	122.6130	0.000	1	122.1797	9.175	9	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	126.1010	0.000	1	126.1010	0.000	1	122.1797	9.175	9	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	127.1720	0.000	1	127.1720	0.000	1	122.1797	9.175	9	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:N-3:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(NCC)(O)	O(CNN)	N(C[6]C[5,6]C[6])(CNO)	C(NC[6])(NCC)(O)	O(CNN)	N(C[6]C[5,6]C[6])(CNO)	122.2867	0.958	3	122.2867	0.917	3	122.2867	0.917	3	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	122.1940	1.772	2	122.1940	3.140	2	122.4255	1.383	4	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:	N-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a])(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	122.6570	0.891	2	122.6570	0.794	2	122.4255	1.383	4	122.3712	4.788	18	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:	N-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(COO)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)	C(NC[5])(COO)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)	126.5360	0.000	1	126.5360	0.000	1	126.5360	0.000	1	125.0407	1.925	3	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:	N-2:N-3:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(NCH)(O)	O(CNN)	N(C[5]C[5,6a]C[5]H)(CNO)	C(NC[5])(NCH)(O)	O(CNN)	N(C[5]C[5,6a]C[5]H)(CNO)	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	125.0407	1.925	3	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:	N-2:P-3:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(PHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)	C(NC[5])(PHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)	123.7950	0.000	1	123.7950	0.000	1	123.7950	0.000	1	125.0407	1.925	3	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(CC3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)	C(NC[5])(CC3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)	122.6400	0.457	2	122.6400	0.209	2	125.1187	7.347	7	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(CF3)(O)	O(CCN)	N(C[5]C[5]O[5])(CCO)	C(NC[5])(CF3)(O)	O(CCN)	N(C[5]C[5]O[5])(CCO)	130.6260	0.000	1	130.6260	0.000	1	125.1187	7.347	7	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]N[5]2)(CCO)	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]N[5]2)(CCO)	125.2125	0.859	2	125.2125	0.738	2	125.1187	7.347	7	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)	124.7500	0.478	2	124.7500	0.228	2	125.1187	7.347	7	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(CCHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)	C(NC[5a])(CCHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)	120.4970	0.000	1	120.4970	0.000	1	122.2530	12.225	5	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(CF3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)	C(NC[5a])(CF3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)	128.4760	0.000	1	128.4760	0.000	1	122.2530	12.225	5	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)	C(NC[5a])(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)	120.6110	0.547	2	120.6110	0.300	2	122.2530	12.225	5	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(NC[5a])(CHHN)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)	C(NC[5a])(CHHN)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)	121.0700	0.000	1	121.0700	0.000	1	122.2530	12.225	5	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(CC3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)	C(NC[6])(CC3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)	122.7300	0.000	1	122.7300	0.000	1	124.6847	3.872	3	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(CCHH)(O)	O(CCN)	N(C[6]C[6,6a]S[6])(CCO)	C(NC[6])(CCHH)(O)	O(CCN)	N(C[6]C[6,6a]S[6])(CCO)	124.6590	0.000	1	124.6590	0.000	1	124.6847	3.872	3	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(NC[6])(CCHN)(O)	O(CCN)	N(C[6]N[6]S[6])(CCO)	C(NC[6])(CCHN)(O)	O(CCN)	N(C[6]N[6]S[6])(CCO)	126.6650	0.000	1	126.6650	0.000	1	124.6847	3.872	3	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	125.9480	0.000	1	125.9480	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.8935	0.035	2	122.8935	0.001	2	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CC3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	C(NC[6a])(CC3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	122.1570	0.000	1	122.1570	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	C(NC[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	125.0730	1.359	2	125.0730	1.847	2	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.2110	0.000	1	122.2110	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	124.6380	0.000	1	124.6380	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	124.5230	0.000	1	124.5230	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	124.1310	0.525	3	124.1310	0.275	3	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	C(NC[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	123.5320	0.027	2	123.5320	0.001	2	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	125.9810	0.000	1	125.9810	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)	122.3920	0.000	1	122.3920	0.000	1	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	123.6748	1.908	4	123.6748	3.642	4	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	C(NC[6a])(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	123.7542	0.482	9	123.7542	0.232	9	123.8527	1.370	29	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	3:3:	N-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(NN[5])(CF3)(O)	O(CCN)	N(N[5]C[5]2)(CCO)	C(NN[5])(CF3)(O)	O(CCN)	N(N[5]C[5]2)(CCO)	132.3090	0.000	1	132.3090	0.000	1	132.3090	0.000	1	124.1152	5.308	45	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(CCl3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)	C(NC[5])(CCl3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)	126.2250	0.000	1	126.2250	0.000	1	124.6267	3.751	3	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]C[5]N[5]N)(CCO)	C(NC[5])(CH3)(O)	O(CCN)	N(C[5]C[5]N[5]N)(CCO)	122.4730	0.000	1	122.4730	0.000	1	124.6267	3.751	3	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(NC[5])(CHHN)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)	C(NC[5])(CHHN)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)	125.1820	0.000	1	125.1820	0.000	1	124.6267	3.751	3	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(NC[6,6])(CH3)(O)	O(CCN)	N(C[6,6]C[6,6]C[6]2)(CCO)	C(NC[6,6])(CH3)(O)	O(CCN)	N(C[6,6]C[6,6]C[6]2)(CCO)	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CC3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	C(NC[6])(CC3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	121.2560	0.000	1	121.2560	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	C(NC[6])(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	122.0800	0.000	1	122.0800	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CCl3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)	C(NC[6])(CCl3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)	125.3440	0.000	1	125.3440	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CF3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)	C(NC[6])(CF3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)	126.4560	0.000	1	126.4560	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CH3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)	C(NC[6])(CH3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)	121.9360	0.000	1	121.9360	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	C(NC[6])(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	122.4210	0.000	1	122.4210	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	4:3:	N-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(NC[6])(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	C(NC[6])(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)	123.9320	0.000	1	123.9320	0.000	1	123.3464	3.804	7	123.6569	3.436	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	2:4:1:	3:	6:3:	N-2:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:	C(NB[5x3,5x5,20x6])(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	C(NB[5x3,5x5,20x6])(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	121.4970	1.028	2	121.4970	1.057	2	121.4970	1.057	2	121.4970	1.057	2	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:	N-3:N-2:O-1:	C-3:	N-2:C-3:	C(NHH)(NN)(O)	O(CNN)	N(NC[5])(CNO)	C(NHH)(NN)(O)	O(CNN)	N(NC[5])(CNO)	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C-3:N-2:O-1:	C-3:	C-3:H-1:	C(CCC)(NH)(O)	O(CCN)	N(CCO)(H)	C(CCC)(NH)(O)	O(CCN)	N(CCO)(H)	120.3730	0.742	4	120.3730	0.551	4	121.6810	4.618	7	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C-3:N-2:O-1:	C-3:	C-3:H-1:	C(CCH)(NH)(O)	O(CCN)	N(CCO)(H)	C(CCH)(NH)(O)	O(CCN)	N(CCO)(H)	121.6420	0.000	1	121.6420	0.000	1	121.6810	4.618	7	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C-3:N-2:O-1:	C-3:	C-3:H-1:	C(CC[5a]O)(NH)(O)	O(CCN)	N(CCO)(H)	C(CC[5a]O)(NH)(O)	O(CCN)	N(CCO)(H)	125.9470	0.000	1	125.9470	0.000	1	121.6810	4.618	7	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C-3:N-2:O-1:	C-3:	C-3:H-1:	C(CHN)(NH)(O)	O(CCN)	N(CCO)(H)	C(CHN)(NH)(O)	O(CCN)	N(CCO)(H)	122.6860	0.000	1	122.6860	0.000	1	121.6810	4.618	7	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[5a]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a,6]N[5a])(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	C(C[5a]C[5a,6]N[5a])(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	122.4417	0.138	6	122.4417	0.019	6	122.5352	0.160	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[5a]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a,6a]N[5a])(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	123.4540	0.000	1	123.4540	0.000	1	122.5352	0.160	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[5a]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a]2)(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	C(C[5a]C[5a]2)(NH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)	122.1780	0.000	1	122.1780	0.000	1	122.5352	0.160	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[5a]-3:N-2:O-1:	C-3:	C-3:O-1:	C(C[5a]C[5a]N[5a])(NO)(O)	O(CC[5a]N)	N(CC[5a]O)(O)	C(C[5a]C[5a]N[5a])(NO)(O)	O(CC[5a]N)	N(CC[5a]O)(O)	129.8590	0.000	1	129.8590	0.000	1	129.8590	0.000	1	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[6]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	C(C[6]C[6]2)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	122.7700	1.005	4	122.7700	1.010	4	122.7700	1.010	4	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[6a]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)	121.8539	0.767	10	121.8539	0.588	10	122.5237	3.533	12	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[6a]-3:N-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(NH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)	125.8725	2.579	2	125.8725	6.650	2	122.5237	3.533	12	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-1:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(N)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(N)	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:	C(NCH)(NH)(O)	O(CNN)	N(CNO)(H)	C(NCH)(NH)(O)	O(CNN)	N(CNO)(H)	123.6003	1.160	3	123.6003	1.344	3	122.9140	1.565	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:	C(NC[6a]2)(NH)(O)	O(CNN)	N(CNO)(H)	C(NC[6a]2)(NH)(O)	O(CNN)	N(CNO)(H)	121.9480	0.000	1	121.9480	0.000	1	122.9140	1.565	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:	C(NC[6a]H)(NH)(O)	O(CNN)	N(CNO)(H)	C(NC[6a]H)(NH)(O)	O(CNN)	N(CNO)(H)	122.6490	0.000	1	122.6490	0.000	1	122.9140	1.565	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:	C(NHH)(NH)(O)	O(CNN)	N(CNO)(H)	C(NHH)(NH)(O)	O(CNN)	N(CNO)(H)	120.7260	0.000	1	120.7260	0.000	1	122.9140	1.565	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:	C(NHN)(NH)(O)	O(CNN)	N(CNO)(H)	C(NHN)(NH)(O)	O(CNN)	N(CNO)(H)	123.5940	0.375	2	123.5940	0.140	2	122.9140	1.565	8	122.5661	3.926	41	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C-3:N-2:O-1:	C-3:	C-3:C-2:	C(CCC)(NC)(O)	O(CCN)	N(CCO)(CC)	C(CCC)(NC)(O)	O(CCN)	N(CCO)(CC)	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C-3:N-2:O-1:	C-3:	C-3:N-2:	C(CCN)(NN)(O)	O(CCN)	N(CCO)(NC)	C(CCN)(NN)(O)	O(CCN)	N(CCO)(NC)	124.0520	0.000	1	124.0520	0.000	1	124.0520	0.000	1	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5]-3:N-2:O-1:	C-3:	C-3:C-2:	C(C[5]N[5,6]C[5])(NC)(O)	O(CC[5]N)	N(CC[5]O)(CS)	C(C[5]N[5,6]C[5])(NC)(O)	O(CC[5]N)	N(CC[5]O)(CS)	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6])	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6])	123.4050	0.000	1	123.4050	0.000	1	122.8791	2.140	7	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6a])	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6a])	123.7600	0.000	1	123.7600	0.000	1	122.8791	2.140	7	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NN)	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NN)	123.1330	0.378	2	123.1330	0.143	2	122.8791	2.140	7	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[5a]C[5a]S[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)	C(C[5a]C[5a]S[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)	121.5080	2.659	2	121.5080	7.069	2	122.8791	2.140	7	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[5a]C[5a]S[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NN)	C(C[5a]C[5a]S[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NN)	123.7070	0.000	1	123.7070	0.000	1	122.8791	2.140	7	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6]C[6]2)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NC)	C(C[6]C[6]2)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NC)	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)	121.7834	1.106	7	121.7834	1.224	7	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[4])	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[4])	122.6180	0.000	1	122.6180	0.000	1	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a])	122.0050	0.000	1	122.0050	0.000	1	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH)	122.2760	0.000	1	122.2760	0.000	1	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NRe)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NRe)	122.9617	1.544	4	122.9617	2.382	4	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NS)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NS)	122.7960	0.000	1	122.7960	0.000	1	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]N[6a])(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)	C(C[6a]C[6a]N[6a])(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)	123.7530	0.164	2	123.7530	0.027	2	122.4431	1.403	17	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:C-2:	C(NC[6a]H)(NC)(O)	O(CNN)	N(CNO)(CN)	C(NC[6a]H)(NC)(O)	O(CNN)	N(CNO)(CN)	125.0590	0.499	2	125.0590	0.249	2	125.0590	0.249	2	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NCC)(NN)(O)	O(CNN)	N(CNO)(NC)	C(NCC)(NN)(O)	O(CNN)	N(CNO)(NC)	120.0950	0.000	1	120.0950	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NCH)(NN)(O)	O(CNN)	N(CNO)(NC)	C(NCH)(NN)(O)	O(CNN)	N(CNO)(NC)	116.6920	0.000	1	116.6920	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NCH)(NN)(O)	O(CNN)	N(CNO)(NN)	C(NCH)(NN)(O)	O(CNN)	N(CNO)(NN)	122.5850	0.000	1	122.5850	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NC[4,5]H)(NN)(O)	O(CNN)	N(CNO)(NN)	C(NC[4,5]H)(NN)(O)	O(CNN)	N(CNO)(NN)	123.2180	0.000	1	123.2180	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NC[6a]H)(NN)(O)	O(CNN)	N(CNO)(NN)	C(NC[6a]H)(NN)(O)	O(CNN)	N(CNO)(NN)	123.5683	0.076	3	123.5683	0.006	3	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NC)	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NC)	124.1120	0.000	1	124.1120	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	C-3:	C-3:N-2:	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NN)	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NN)	126.0320	0.000	1	126.0320	0.000	1	122.6043	7.306	9	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:	N[6]-3:N-2:O-1:	C-3:	C-3:N-2:	C(N[6]C[5,6]2)(NN)(O)	O(CN[6]N)	N(CN[6]O)(NN)	C(N[6]C[5,6]2)(NN)(O)	O(CN[6]N)	N(CN[6]O)(NN)	125.7963	0.664	3	125.7963	0.440	3	125.7963	0.440	3	122.9500	3.407	42	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C-3:N-2:O-1:	C-3:	C-3:C-3:	C(CCC)(NC)(O)	O(CCN)	N(CCH)(CCO)	C(CCC)(NC)(O)	O(CCN)	N(CCH)(CCO)	118.0615	0.166	2	118.0615	0.028	2	121.1513	28.655	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C-3:N-2:O-1:	C-3:	C-3:C-3:	C(CCH)(NC)(O)	O(CCN)	N(CCO)(CNN)	C(CCH)(NC)(O)	O(CCN)	N(CCO)(CNN)	127.3310	0.000	1	127.3310	0.000	1	121.1513	28.655	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5,6a]N[5])(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5,6a]N[5])(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)	131.1440	0.000	1	131.1440	0.000	1	131.1440	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)	122.8360	0.000	1	122.8360	0.000	1	125.5660	14.906	2	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[5a]C[5a]S[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)	C(C[5a]C[5a]S[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)	128.2960	0.000	1	128.2960	0.000	1	125.5660	14.906	2	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)	C(C[5a]C[5a]N[5a])(NN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(NC[5])(O)	O(CC[5a]N)	N(C[5]N[5]2)(CC[5a]O)	C(C[5a]C[5a]N[5a])(NC[5])(O)	O(CC[5a]N)	N(C[5]N[5]2)(CC[5a]O)	127.1550	0.000	1	127.1550	0.000	1	127.1550	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5,5a]C[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	C(C[5a]C[5,5a]C[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	121.5095	0.067	2	121.5095	0.005	2	122.8837	2.872	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	C(C[5a]C[5a,6]C[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	122.5185	2.063	2	122.5185	4.254	2	122.8837	2.872	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]S[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C(C[5a]C[5a]S[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)	124.5590	0.000	1	124.5590	0.000	1	122.8837	2.872	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]S[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	C(C[5a]C[5a]S[5a])(NC[6a])(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)	124.6870	0.000	1	124.6870	0.000	1	122.8837	2.872	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	C-3:	N[5]-3:C-3:	C(C[5a]C[5a]O[5a])(NN[5])(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)	C(C[5a]C[5a]O[5a])(NN[5])(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6]C[6]2)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NNO)	C(C[6]C[6]2)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NNO)	129.1590	0.000	1	129.1590	0.000	1	129.1590	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6]-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6]C[6]N[6])(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]N[6])(CC[6]O)	C(C[6]C[6]N[6])(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]N[6])(CC[6]O)	122.4347	1.463	3	122.4347	2.140	3	122.4347	2.140	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2)(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)	120.9990	0.284	2	120.9990	0.081	2	122.3330	1.338	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]O)	C(C[6]C[6]N[6])(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]O)	123.0000	0.651	4	123.0000	0.424	4	122.3330	1.338	6	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)	C(C[6a]C[6a,6a]C[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)	124.2506	1.913	8	124.2506	3.660	8	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[5]Cl)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[5]Cl)(CC[6a]O)	119.6080	0.991	2	119.6080	0.983	2	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]2)(CC[6a]O)	121.5640	0.000	1	121.5640	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)	120.4350	0.000	1	120.4350	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	123.5990	2.791	4	123.5990	7.788	4	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCS)	125.2620	0.000	1	125.2620	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[5]S)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[5]S)	120.1520	0.000	1	120.1520	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)	125.3975	3.439	13	125.3975	11.829	13	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)	122.5482	1.020	4	122.5482	1.040	4	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[5a]N)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[5a]N)	125.3060	0.000	1	125.3060	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(COS)	125.4400	0.380	2	125.4400	0.145	2	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)	121.3370	0.000	2	121.3370	0.000	2	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	121.2730	0.000	1	121.2730	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)	121.1100	0.000	1	121.1100	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)2	122.1140	0.000	1	122.1140	0.000	1	123.6918	8.073	43	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)	127.3888	0.410	4	127.3888	0.168	4	124.7813	6.661	10	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5]H)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5]H)	124.3470	0.276	2	124.3470	0.076	2	124.7813	6.661	10	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)	121.4210	1.110	2	121.4210	1.232	2	124.7813	6.661	10	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)	C(C[6a]C[6a]2)(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)	121.9560	0.000	1	121.9560	0.000	1	124.7813	6.661	10	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]N[6a])(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPdC)	C(C[6a]C[6a]N[6a])(NN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPdC)	124.7660	0.000	1	124.7660	0.000	1	124.7813	6.661	10	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]C[5]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]C[5]N[5])(CC[6a]O)	126.5950	0.000	1	126.5950	0.000	1	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]C[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]C[5]O[5])(CC[6a]O)	125.7223	0.329	4	125.7223	0.108	4	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]2)(CC[6a]O)	126.3810	0.964	2	126.3810	0.930	2	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]O[5])(CC[6a]O)	126.0545	0.313	2	126.0545	0.098	2	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]N[5]S[5])(CC[6a]O)	123.7196	1.512	16	123.7196	2.285	16	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]O[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]O[5]S[5])(CC[6a]O)	123.4320	0.000	1	123.4320	0.000	1	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]Se[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]Se[5]2)(CC[6a]O)	123.5020	0.000	1	123.5020	0.000	1	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]Se[5]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5])(O)	O(CC[6a]N)	N(C[5]Se[5]N[5])(CC[6a]O)	124.4163	0.572	7	124.4163	0.327	7	124.4623	2.174	34	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)	123.3940	0.000	1	123.3940	0.000	1	125.2320	7.714	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)	128.4270	0.000	1	128.4270	0.000	1	125.2320	7.714	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a])(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)	123.8750	0.000	1	123.8750	0.000	1	125.2320	7.714	3	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]N[6]O[6])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]N[6]O[6])(CC[6a]O)	125.8180	0.000	1	125.8180	0.000	1	126.0928	1.442	5	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]N[6]S[6])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]N[6]S[6])(CC[6a]O)	125.5497	0.768	3	125.5497	0.590	3	126.0928	1.442	5	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)	127.9970	0.000	1	127.9970	0.000	1	126.0928	1.442	5	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	128.3210	0.000	1	128.3210	0.000	1	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	123.6841	1.380	23	123.6841	1.905	23	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	122.9100	0.427	3	122.9100	0.182	3	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)	125.5845	0.066	2	125.5845	0.004	2	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	124.3630	0.000	1	124.3630	0.000	1	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)	123.3390	0.000	1	123.3390	0.000	1	123.8921	2.401	31	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	N[4]-3:C-3:	C(C[6a]C[6a]2)(NN[4])(O)	O(CC[6a]N)	N(N[4]C[4]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[4])(O)	O(CC[6a]N)	N(N[4]C[4]2)(CC[6a]O)	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(NN[5])(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[5])(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)	127.4537	2.307	7	127.4537	5.320	7	127.4537	5.320	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(NN[5a])(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[5a])(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)	126.0850	0.000	1	126.0850	0.000	1	126.0850	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(NN[6])(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6])(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)	127.6240	0.000	1	127.6240	0.000	1	127.6240	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NCC)(NC)(O)	O(CNN)	N(CC[6a]N)(CNO)	C(NCC)(NC)(O)	O(CNN)	N(CC[6a]N)(CNO)	121.5230	0.000	1	121.5230	0.000	1	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NCH)(NC)(O)	O(CNN)	N(CCN)(CNO)	C(NCH)(NC)(O)	O(CNN)	N(CCN)(CNO)	120.3250	0.000	1	120.3250	0.000	1	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NC[6a]2)(NC)(O)	O(CNN)	N(CC[6a]2)(CNO)	C(NC[6a]2)(NC)(O)	O(CNN)	N(CC[6a]2)(CNO)	122.4920	0.000	1	122.4920	0.000	1	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NC[6a]2)(NC)(O)	O(CNN)	N(CC[6a]N)(CNO)	C(NC[6a]2)(NC)(O)	O(CNN)	N(CC[6a]N)(CNO)	121.9815	0.442	2	121.9815	0.195	2	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NC[6a]2)(NC)(O)	O(CNN)	N(CNN)(CNO)	C(NC[6a]2)(NC)(O)	O(CNN)	N(CNN)(CNO)	127.3490	0.000	1	127.3490	0.000	1	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:C-3:	C(NHH)(NC)(O)	O(CNN)	N(CCO)(CNO)	C(NHH)(NC)(O)	O(CNN)	N(CCO)(CNO)	121.7970	0.000	1	121.7970	0.000	1	122.4927	5.071	7	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C-3:N-3:	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NOO)	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NOO)	131.5030	0.078	2	131.5030	0.006	2	131.5030	0.006	2	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[6]H)(NC[5])(O)	O(CNN)	N(C[5]N[5]2)(CNO)	C(NC[6]H)(NC[5])(O)	O(CNN)	N(C[5]N[5]2)(CNO)	127.6190	0.000	1	127.6190	0.000	1	126.7070	1.796	11	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[5]C[5]2)(CNO)	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[5]C[5]2)(CNO)	124.6620	1.192	2	124.6620	1.421	2	126.7070	1.796	11	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[5]-3:C-3:	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[5]N[5]2)(CNO)	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[5]N[5]2)(CNO)	127.1043	0.932	8	127.1043	0.869	8	126.7070	1.796	11	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[5a]-3:C-3:	C(NC[6a]H)(NC[5a])(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)	C(NC[6a]H)(NC[5a])(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6]H)(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)	C(NC[6]H)(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)	124.3000	0.000	1	124.3000	0.000	1	124.7220	0.356	2	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6a]H)(NC[6])(O)	O(CNN)	N(C[6]N[6]2)(CNO)	C(NC[6a]H)(NC[6])(O)	O(CNN)	N(C[6]N[6]2)(CNO)	125.1440	0.000	1	125.1440	0.000	1	124.7220	0.356	2	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NB[5a]C[6a])(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NB[5a]C[6a])(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	130.7240	0.000	1	130.7240	0.000	1	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	123.3630	0.182	2	123.3630	0.033	2	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]C)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a]C)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	122.5180	0.000	1	122.5180	0.000	1	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)	123.6800	0.000	1	123.6800	0.000	1	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)	123.4410	0.000	1	123.4410	0.000	1	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)	123.8802	0.882	6	123.8802	0.779	6	124.1975	4.744	12	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N[5]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(NC[6a])(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:	N[5a]-3:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5a]C[5a]2)(NC[6a])(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)	C(N[5a]C[5a]2)(NC[6a])(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)	125.9560	0.000	1	125.9560	0.000	1	125.9560	0.000	1	124.3482	6.671	198	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[5]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5])(NC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)	C(C[5]C[5]S[5])(NC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[5a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)	124.2035	0.354	2	124.2035	0.126	2	123.4693	1.680	3	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[5a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)	122.0010	0.000	1	122.0010	0.000	1	123.4693	1.680	3	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)	C(C[6]C[6]2)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)	123.0803	0.732	6	123.0803	0.536	6	123.0679	0.448	7	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)	C(C[6]C[6]2)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)	122.9930	0.000	1	122.9930	0.000	1	123.0679	0.448	7	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)	121.6850	1.681	3	121.6850	2.824	3	123.1263	3.333	38	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)	122.2614	2.000	7	122.2614	3.999	7	123.1263	3.333	38	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)	122.7092	2.010	14	122.7092	4.041	14	123.1263	3.333	38	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)	124.9140	0.000	1	124.9140	0.000	1	123.1263	3.333	38	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:	C[6a]-3:N-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)	124.2362	0.818	13	124.2362	0.668	13	123.1263	3.333	38	123.1716	2.754	49	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	C-3:	C-4:C-3:	C(CCH)(NC)(O)	O(CCN)	N(CC[6]CH)(CCO)	C(CCH)(NC)(O)	O(CCN)	N(CC[6]CH)(CCO)	123.4940	0.000	1	123.4940	0.000	1	124.6440	0.680	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]O)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	C(CC[5a]O)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	124.6050	0.000	1	124.6050	0.000	1	124.6440	0.680	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	C-3:	C-4:C-3:	C(CNO)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CNO)(NC)(O)	O(CCN)	N(CCHH)(CCO)	125.2385	0.094	2	125.2385	0.009	2	124.6440	0.680	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	C-3:	S-4:C-3:	C(CC[6a]C)(NS)(O)	O(CCN)	N(SC[6a]CO)(CCO)	C(CC[6a]C)(NS)(O)	O(CCN)	N(SC[6a]CO)(CCO)	126.9780	0.000	1	126.9780	0.000	1	128.2010	2.991	2	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	C-3:	S-4:C-3:	C(CC[6a]O)(NS)(O)	O(CCN)	N(SCCO)(CCO)	C(CC[6a]O)(NS)(O)	O(CCN)	N(SCCO)(CCO)	129.4240	0.000	1	129.4240	0.000	1	128.2010	2.991	2	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[5]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2)(NC)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)	C(C[5]C[5]2)(NC)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)	116.9360	0.000	1	116.9360	0.000	1	125.4580	145.249	2	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[5]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[5]N[5]2)(NC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)	C(C[5]N[5]2)(NC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)	133.9800	0.000	1	133.9800	0.000	1	125.4580	145.249	2	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[5a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)	C(C[5a]C[5a]N[5a])(NC)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[5a]-3:N-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(NC[5])(O)	O(CC[5a]N)	N(C[5]C[5]2Fe)(CC[5a]O)	C(C[5a]C[5a]N[5a])(NC[5])(O)	O(CC[5a]N)	N(C[5]C[5]2Fe)(CC[5a]O)	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a,6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	123.7970	0.000	1	123.7970	0.000	1	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)	123.6900	0.000	1	123.6900	0.000	1	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)	123.0923	1.388	9	123.0923	1.927	9	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	121.8133	2.258	6	121.8133	5.100	6	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)	124.5670	0.000	1	124.5670	0.000	1	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)	123.7510	0.802	6	123.7510	0.643	6	123.0530	2.589	24	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)	122.3320	0.000	1	122.3320	0.000	1	122.7438	1.514	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)	124.5770	0.000	1	124.5770	0.000	1	122.7438	1.514	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6])(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)	122.0330	0.025	2	122.0330	0.001	2	122.7438	1.514	4	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	N[6]-4:C-3:	C(C[6a]C[6a]2)(NN[6])(O)	O(CC[6a]N)	N(N[6]C[6]2C)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6])(O)	O(CC[6a]N)	N(N[6]C[6]2C)(CC[6a]O)	129.6170	0.000	1	129.6170	0.000	1	129.6170	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	P-4:C-3:	C(C[6a]C[6a]2)(NP)(O)	O(CC[6a]N)	N(PC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(NP)(O)	O(CC[6a]N)	N(PC[6a]3)(CC[6a]O)	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	P[6]-4:C-3:	C(C[6a]C[6a]2)(NP[6])(O)	O(CC[6a]N)	N(P[6]O[6]2Se)(CC[6a]O)	C(C[6a]C[6a]2)(NP[6])(O)	O(CC[6a]N)	N(P[6]O[6]2Se)(CC[6a]O)	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	C[6a]-3:N-2:O-1:	C-3:	S-4:C-3:	C(C[6a]C[6a]2)(NS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)	129.1710	0.000	1	129.1710	0.000	1	129.1710	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NCH)(NC)(O)	O(CNN)	N(CCCH)(CNO)	C(NCH)(NC)(O)	O(CNN)	N(CCCH)(CNO)	122.7280	0.000	1	122.7280	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NCH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	C(NCH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	123.0420	0.000	1	123.0420	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NCH)(NC)(O)	O(CNN)	N(CC[6a]HH)(CNO)	C(NCH)(NC)(O)	O(CNN)	N(CC[6a]HH)(CNO)	120.8610	0.000	1	120.8610	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NCH)(NC)(O)	O(CNN)	N(CH3)(CNO)	C(NCH)(NC)(O)	O(CNN)	N(CH3)(CNO)	122.3870	0.000	1	122.3870	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NC[5]C)(NC)(O)	O(CNN)	N(CH3)(CNO)	C(NC[5]C)(NC)(O)	O(CNN)	N(CH3)(CNO)	120.6590	0.000	1	120.6590	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(NC)(O)	O(CNN)	N(CH3)(CNO)	C(NC[6a]C)(NC)(O)	O(CNN)	N(CH3)(CNO)	124.2455	0.448	2	124.2455	0.200	2	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(NC)(O)	O(CNN)	N(CCHH)(CNO)	C(NC[6a]H)(NC)(O)	O(CNN)	N(CCHH)(CNO)	122.9363	0.879	3	122.9363	0.772	3	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(NC)(O)	O(CNN)	N(CC[6a]CC)(CNO)	C(NC[6a]H)(NC)(O)	O(CNN)	N(CC[6a]CC)(CNO)	123.1520	0.000	1	123.1520	0.000	1	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NCoC)(NC)(O)	O(CNN)	N(CC3)(CNO)	C(NCoC)(NC)(O)	O(CNN)	N(CC3)(CNO)	120.0718	0.571	4	120.0718	0.326	4	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C-4:C-3:	C(NHH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	C(NHH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	121.2055	0.050	2	121.2055	0.003	2	121.9310	2.355	17	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	C[4]-4:C-3:	C(NC[6a]H)(NC[4])(O)	O(CNN)	N(C[4]C[4]2C)(CNO)	C(NC[6a]H)(NC[4])(O)	O(CNN)	N(C[4]C[4]2C)(CNO)	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NCH)(NS)(O)	O(CNN)	N(SC[6]OO)(CNO)	C(NCH)(NS)(O)	O(CNN)	N(SC[6]OO)(CNO)	126.1935	0.066	2	126.1935	0.004	2	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NCH)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	C(NCH)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	122.8820	5.181	3	122.8820	26.844	3	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NCS)(NS)(O)	O(CNN)	N(SC[6a]2O)(CNO)	C(NCS)(NS)(O)	O(CNN)	N(SC[6a]2O)(CNO)	127.4490	0.000	1	127.4490	0.000	1	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NC[6]H)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	C(NC[6]H)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	125.0537	0.134	3	125.0537	0.018	3	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NC[6a]H)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	C(NC[6a]H)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	122.4220	0.148	2	122.4220	0.022	2	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	N-3:N-2:O-1:	C-3:	S-4:C-3:	C(NHN)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	C(NHN)(NS)(O)	O(CNN)	N(SC[6a]OO)(CNO)	122.1390	0.000	1	122.1390	0.000	1	124.2188	8.202	12	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:	P-3:N-2:O-1:	C-3:	C-4:C-3:	C(PC[6a]2)(NC)(O)	O(CNP)	N(CCHH)(COP)	C(PC[6a]2)(NC)(O)	O(CNP)	N(CCHH)(COP)	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	123.4127	7.483	73	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	2:3:	C-4:N-2:O-1:	C-3:	O-2:C-3:	C(CH3)(NO)(O)	O(CCN)	N(OC[6a])(CCO)	C(CH3)(NO)(O)	O(CCN)	N(OC[6a])(CCO)	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C-4:N-2:O-1:	C-3:	C-3:H-1:	C(CCHH)(NH)(O)	O(CCN)	N(CCO)(H)	C(CCHH)(NH)(O)	O(CCN)	N(CCO)(H)	123.6200	0.000	1	123.6200	0.000	1	123.1212	0.215	5	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C-4:N-2:O-1:	C-3:	C-3:H-1:	C(CCHN)(NH)(O)	O(CCN)	N(CCO)(H)	C(CCHN)(NH)(O)	O(CCN)	N(CCO)(H)	123.1680	0.554	2	123.1680	0.307	2	123.1212	0.215	5	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C-4:N-2:O-1:	C-3:	C-3:H-1:	C(CH3)(NH)(O)	O(CCN)	N(CCO)(H)	C(CH3)(NH)(O)	O(CCN)	N(CCO)(H)	122.5740	0.000	1	122.5740	0.000	1	123.1212	0.215	5	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C-4:N-2:O-1:	C-3:	C-3:H-1:	C(CHHN)(NH)(O)	O(CCN)	N(CCO)(H)	C(CHHN)(NH)(O)	O(CCN)	N(CCO)(H)	123.0760	0.000	1	123.0760	0.000	1	123.1212	0.215	5	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C[5]-4:N-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5]C[5]H)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	122.4070	0.000	1	122.4070	0.000	1	123.5110	1.055	3	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C[5]-4:N-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]N[5]H)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	123.6880	0.000	1	123.6880	0.000	1	123.5110	1.055	3	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C[5]-4:N-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]O[5]C)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(O)	O(CC[5]N)	N(CC[5]O)(H)	124.4380	0.000	1	124.4380	0.000	1	123.5110	1.055	3	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C[6]-4:N-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2H)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	C(C[6]C[6]2H)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	121.9280	0.000	1	121.9280	0.000	1	122.9840	2.230	2	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:1:	C[6]-4:N-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2N)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	C(C[6]C[6]2N)(NH)(O)	O(CC[6]N)	N(CC[6]O)(H)	124.0400	0.000	1	124.0400	0.000	1	122.9840	2.230	2	123.2107	0.624	10	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C-4:N-2:O-1:	C-3:	C-3:N-2:	C(CCHH)(NN)(O)	O(CCN)	N(CCO)(NC)	C(CCHH)(NN)(O)	O(CCN)	N(CCO)(NC)	118.9670	0.000	1	118.9670	0.000	1	123.0403	4.703	6	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C-4:N-2:O-1:	C-3:	C-3:N-2:	C(CCHH)(NN)(O)	O(CCN)	N(CCO)(NN)	C(CCHH)(NN)(O)	O(CCN)	N(CCO)(NN)	124.8980	0.000	1	124.8980	0.000	1	123.0403	4.703	6	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C-4:N-2:O-1:	C-3:	C-3:N-2:	C(CCHN)(NN)(O)	O(CCN)	N(CCO)(NH)	C(CCHN)(NN)(O)	O(CCN)	N(CCO)(NH)	122.4680	0.000	1	122.4680	0.000	1	123.0403	4.703	6	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C-4:N-2:O-1:	C-3:	C-3:N-2:	C(CC[6a]CH)(NN)(O)	O(CCN)	N(CCO)(NC)	C(CC[6a]CH)(NN)(O)	O(CCN)	N(CCO)(NC)	123.7780	0.000	1	123.7780	0.000	1	123.0403	4.703	6	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C-4:N-2:O-1:	C-3:	C-3:N-2:	C(CHHN)(NN)(O)	O(CCN)	N(CCO)(NC)	C(CHHN)(NN)(O)	O(CCN)	N(CCO)(NC)	124.0655	0.705	2	124.0655	0.497	2	123.0403	4.703	6	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C[3]-4:N-2:O-1:	C-3:	C-3:N-2:	C(C[3]C[3]N[3]H)(NN)(O)	O(CC[3]N)	N(CC[3]O)(NN)	C(C[3]C[3]N[3]H)(NN)(O)	O(CC[3]N)	N(CC[3]O)(NN)	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C[5]-4:N-2:O-1:	C-3:	C-3:N-2:	C(C[5]C[5]2Fe)(NN)(O)	O(CC[5]N)	N(CC[5]O)(NN)	C(C[5]C[5]2Fe)(NN)(O)	O(CC[5]N)	N(CC[5]O)(NN)	123.5907	0.310	4	123.5907	0.096	4	123.5907	0.096	4	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:2:	C[6]-4:N-2:O-1:	C-3:	C-3:N-2:	C(C[6]C[6]2H)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NC)	C(C[6]C[6]2H)(NN)(O)	O(CC[6]N)	N(CC[6]O)(NC)	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	123.3279	2.439	12	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:C-3:	C(CCHH)(NC)(O)	O(CCN)	N(CCO)(CNS)	C(CCHH)(NC)(O)	O(CCN)	N(CCO)(CNS)	122.4950	0.000	1	122.4950	0.000	1	123.8715	6.168	6	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:C-3:	C(CF3)(NC)(O)	O(CCN)	N(CN[5a]N)(CCO)	C(CF3)(NC)(O)	O(CCN)	N(CN[5a]N)(CCO)	127.5770	0.000	1	127.5770	0.000	1	123.8715	6.168	6	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CCO)(CNN)	C(CH3)(NC)(O)	O(CCN)	N(CCO)(CNN)	126.4590	0.000	1	126.4590	0.000	1	123.8715	6.168	6	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CC[6a]C)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CC[6a]C)(CCO)	121.9715	0.227	2	121.9715	0.052	2	123.8715	6.168	6	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]H)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]H)(CCO)	122.7550	0.000	1	122.7550	0.000	1	123.8715	6.168	6	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:N-3:	C(CCHN)(NN)(O)	O(CCN)	N(CCO)(NHH)	C(CCHN)(NN)(O)	O(CCN)	N(CCO)(NHH)	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C-3:P-3:	C(CH3)(NP)(O)	O(CCN)	N(CCO)(PCC)	C(CH3)(NP)(O)	O(CCN)	N(CCO)(PCC)	122.3180	0.000	1	122.3180	0.000	1	122.3180	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6]-3:C-3:	C(CC[5,6]CC)(NC[6])(O)	O(CCN)	N(C[6]C[6]2)(CCO)	C(CC[5,6]CC)(NC[6])(O)	O(CCN)	N(C[6]C[6]2)(CCO)	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[5]CC)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(CC[5]CC)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	131.5960	0.000	1	131.5960	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(CC[6]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.9480	0.000	1	122.9480	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]2C)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	C(CC[6a]2C)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	123.0150	0.000	1	123.0150	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]2H)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(CC[6a]2H)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	122.5450	0.000	1	122.5450	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)	123.7150	0.000	1	123.7150	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	121.4630	0.000	1	121.4630	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	C(CC[6a]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)	123.8380	0.000	1	123.8380	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(CN[5]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	C(CN[5]HH)(NC[6a])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)	125.5120	0.000	1	125.5120	0.000	1	124.3290	9.980	8	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	C-3:	N-3:C-3:	C(CC[3x6]HH)(NN)(O)	O(CCN)	N(NSnC)(CCO)	C(CC[3x6]HH)(NN)(O)	O(CCN)	N(NSnC)(CCO)	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[3]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3]C[3,5]O[3]H)(NC[6a])(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)	C(C[3]C[3,5]O[3]H)(NC[6a])(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)	124.8540	0.000	1	124.8540	0.000	1	124.8540	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[3x6]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(NC[6a])(O)	O(CC[3x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C(C[3x6]C[6,6]3)(NC[6a])(O)	O(CC[3x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[4]-4:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[4]C[4]2C[6])(NC[6])(O)	O(CC[4]N)	N(C[6]C[6,6]C[6])(CC[4]O)	C(C[4]C[4]2C[6])(NC[6])(O)	O(CC[4]N)	N(C[6]C[6,6]C[6])(CC[4]O)	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CNN)	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CNN)	127.3445	0.296	4	127.3445	0.087	4	127.3445	0.087	4	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[5]C[5]N[5]H)(NC[5a])(O)	O(CC[5]N)	N(C[5a]N[5a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[5a])(O)	O(CC[5]N)	N(C[5a]N[5a]2)(CC[5]O)	123.9490	0.000	1	123.9490	0.000	1	123.9490	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C[6]-3:C-3:	C(C[5]C[5]2Fe)(NC[6])(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)	C(C[5]C[5]2Fe)(NC[6])(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	C(C[5]C[5]2Fe)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)	123.9795	0.858	2	123.9795	0.736	2	123.7647	0.642	4	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)	C(C[5]C[5]2Fe)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)	122.8410	0.000	1	122.8410	0.000	1	123.7647	0.642	4	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[6a])(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)	124.2590	0.000	1	124.2590	0.000	1	123.7647	0.642	4	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[5]-4:N-2:O-1:	C-3:	N[5a]-3:C-3:	C(C[5]C[5]2Co)(NN[5a])(O)	O(CC[5]N)	N(N[5a]C[5a]2)(CC[5]O)	C(C[5]C[5]2Co)(NN[5a])(O)	O(CC[5]N)	N(N[5a]C[5a]2)(CC[5]O)	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:3:	C[6]-4:N-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]O[6]C)(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]O[6]C)(NC[6a])(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)	125.4070	1.215	2	125.4070	1.476	2	125.4070	1.476	2	124.1310	5.502	34	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[3]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2H)(NC)(O)	O(CC[3]N)	N(CC[3]O)(CC3)	C(C[3]C[3]2H)(NC)(O)	O(CC[3]N)	N(CC[3]O)(CC3)	124.1210	0.000	1	124.1210	0.000	1	124.1210	0.000	1	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5,6]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NC)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Fe)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	C(C[5]C[5]2Fe)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	121.1350	0.000	1	121.1350	0.000	1	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2N)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)	C(C[5]C[5]2N)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)	121.9200	0.000	1	121.9200	0.000	1	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Re)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	C(C[5]C[5]2Re)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	122.6970	0.000	1	122.6970	0.000	1	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)	123.0880	0.000	1	123.0880	0.000	1	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)	123.6335	0.951	2	123.6335	0.905	2	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[5]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]N)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	C(C[5]C[5]O[5]N)(NC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)	125.3030	0.040	2	125.3030	0.002	2	123.3391	2.306	8	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	3:4:	C[6]-4:N-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]H)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)	C(C[6]C[6,6]C[6]H)(NC)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	123.7871	2.314	11	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	As-4:C-3:	C(CCl3)(NAs)(O)	O(CCN)	N(AsC[6a]3)(CCO)	C(CCl3)(NAs)(O)	O(CCN)	N(AsC[6a]3)(CCO)	130.7020	0.000	1	130.7020	0.000	1	130.7020	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC3)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CC3)(NC)(O)	O(CCN)	N(CCCH)(CCO)	122.0740	0.000	1	122.0740	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CCCH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	121.8890	0.000	1	121.8890	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	C(CCCH)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	124.0990	0.000	1	124.0990	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(NC)(O)	O(CCN)	N(CH3)(CCO)	C(CCCH)(NC)(O)	O(CCN)	N(CH3)(CCO)	124.6370	0.000	1	124.6370	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(NC)(O)	O(CCN)	N(CC3)(CCO)	C(CCCN)(NC)(O)	O(CCN)	N(CC3)(CCO)	122.8385	0.083	2	122.8385	0.007	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CCCN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	121.6360	0.000	1	121.6360	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CCCN)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	123.4690	0.923	2	123.4690	0.853	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCFH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CCFH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	124.4385	0.070	2	124.4385	0.005	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CCHH)(NC)(O)	O(CCN)	N(CCCH)(CCO)	121.6060	0.823	2	121.6060	0.677	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CCHH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	122.2285	0.923	4	122.2285	0.852	4	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CCHH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	122.4720	0.000	1	122.4720	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(NC)(O)	O(CCN)	N(CHHS)(CCO)	C(CCHH)(NC)(O)	O(CCN)	N(CHHS)(CCO)	123.7910	0.324	4	123.7910	0.105	4	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(NC)(O)	O(CCN)	N(CC3)(CCO)	C(CCHN)(NC)(O)	O(CCN)	N(CC3)(CCO)	123.8300	0.000	1	123.8300	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CCHN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	123.0724	1.029	12	123.0724	1.059	12	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CCHN)(NC)(O)	O(CCN)	N(CCHH)(CCO)	125.8315	0.158	2	125.8315	0.025	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(NC)(O)	O(CCN)	N(CH3)(CCO)	C(CCHN)(NC)(O)	O(CCN)	N(CH3)(CCO)	123.1870	0.000	1	123.1870	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CCHO)(NC)(O)	O(CCN)	N(CCCH)(CCO)	124.1370	0.208	2	124.1370	0.043	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CC[5]HH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	123.5550	0.000	1	123.5550	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CC[5]HH)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	123.0650	0.000	1	123.0650	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(NC)(O)	O(CCN)	N(CC3)(CCO)	C(CC[6]HH)(NC)(O)	O(CCN)	N(CC3)(CCO)	125.0840	0.000	1	125.0840	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CC[6a]CH)(NC)(O)	O(CCN)	N(CCHH)(CCO)	121.7740	0.000	1	121.7740	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(NC)(O)	O(CCN)	N(CH3)(CCO)	C(CC[6a]HH)(NC)(O)	O(CCN)	N(CH3)(CCO)	122.4100	0.000	1	122.4100	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CCCH)(CCO)	123.0800	0.000	1	123.0800	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CCHH)(CCO)	122.1240	0.000	1	122.1240	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CC[6]CH)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CC[6]CH)(CCO)	121.5920	0.000	1	121.5920	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	121.9970	0.153	2	121.9970	0.023	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CH3)(NC)(O)	O(CCN)	N(CH3)(CCO)	C(CH3)(NC)(O)	O(CCN)	N(CH3)(CCO)	131.7168	18.223	10	131.7168	332.063	10	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CC3)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CC3)(CCO)	123.2180	0.000	1	123.2180	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CCCH)(CCO)	122.9000	0.000	1	122.9000	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CCHH)(CCO)	122.8667	0.361	3	122.8667	0.130	3	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]CC)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]CC)(CCO)	125.7980	0.000	1	125.7980	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CC[6a]CH)(CCO)	123.3290	0.000	1	123.3290	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(NC)(O)	O(CCN)	N(CH3)(CCO)	C(CHHN)(NC)(O)	O(CCN)	N(CH3)(CCO)	123.7660	0.000	1	123.7660	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CHHO)(NC)(O)	O(CCN)	N(CCHH)(CCO)	126.6795	1.350	2	126.6795	1.822	2	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHHP)(NC)(O)	O(CCN)	N(CCHH)(CCO)	C(CHHP)(NC)(O)	O(CCN)	N(CCHH)(CCO)	123.4910	0.000	1	123.4910	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CHPP)(NC)(O)	O(CCN)	N(CCCH)(CCO)	C(CHPP)(NC)(O)	O(CCN)	N(CCCH)(CCO)	124.6400	0.000	1	124.6400	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CH)(NC)(O)	O(CCN)	N(CCHP)(CCO)	C(CN[5]CH)(NC)(O)	O(CCN)	N(CCHP)(CCO)	122.7750	0.000	1	122.7750	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(NC)(O)	O(CCN)	N(CC3)(CCO)	C(CN[5]HH)(NC)(O)	O(CCN)	N(CC3)(CCO)	124.9050	0.000	1	124.9050	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C-4:C-3:	C(CN[6a]HH)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	C(CN[6a]HH)(NC)(O)	O(CCN)	N(CC[6a]HH)(CCO)	123.0010	0.000	1	123.0010	0.000	1	124.4405	50.075	75	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C[4]-4:C-3:	C(CC[6a]HH)(NC[4])(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)	C(CC[6a]HH)(NC[4])(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	C[6]-4:C-3:	C(CClCH)(NC[6])(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)	C(CClCH)(NC[6])(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)	123.1740	0.000	1	123.1740	0.000	1	123.1740	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	P-4:C-3:	C(CCl3)(NP)(O)	O(CCN)	N(PC[6a]3)(CCO)	C(CCl3)(NP)(O)	O(CCN)	N(PC[6a]3)(CCO)	129.8850	0.000	1	129.8850	0.000	1	127.9535	13.188	4	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	P-4:C-3:	C(CCl3)(NP)(O)	O(CCN)	N(PNNO)(CCO)	C(CCl3)(NP)(O)	O(CCN)	N(PNNO)(CCO)	124.4140	0.000	1	124.4140	0.000	1	127.9535	13.188	4	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	P-4:C-3:	C(CClHH)(NP)(O)	O(CCN)	N(PNNO)(CCO)	C(CClHH)(NP)(O)	O(CCN)	N(PNNO)(CCO)	125.4400	0.000	1	125.4400	0.000	1	127.9535	13.188	4	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	P-4:C-3:	C(CF3)(NP)(O)	O(CCN)	N(PNNO)(CCO)	C(CF3)(NP)(O)	O(CCN)	N(PNNO)(CCO)	132.0750	0.000	1	132.0750	0.000	1	127.9535	13.188	4	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	S-4:C-3:	C(CC[5a]HH)(NS)(O)	O(CCN)	N(SC[6a]2O)(CCO)	C(CC[5a]HH)(NS)(O)	O(CCN)	N(SC[6a]2O)(CCO)	125.6030	0.000	1	125.6030	0.000	1	124.3443	3.471	3	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	C-3:	S-4:C-3:	C(CH3)(NS)(O)	O(CCN)	N(SC[6a]OO)(CCO)	C(CH3)(NS)(O)	O(CCN)	N(SC[6a]OO)(CCO)	123.7150	2.137	2	123.7150	4.566	2	124.3443	3.471	3	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[3]-4:N-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2C)(NC)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)	C(C[3]C[3]2C)(NC)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[3x4]-4:N-2:O-1:	C-3:	C-4:C-3:	C(C[3x4]C[4,4]3)(NC)(O)	O(CC[3x4]N)	N(CC[6a]CH)(CC[3x4]O)	C(C[3x4]C[4,4]3)(NC)(O)	O(CC[3x4]N)	N(CC[6a]CH)(CC[3x4]O)	124.6685	1.191	2	124.6685	1.420	2	124.6685	1.420	2	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[5,6]-4:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	O(CC[5,6]N)	N(C[6]C[6,6a]2H)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6])(O)	O(CC[5,6]N)	N(C[6]C[6,6a]2H)(CC[5,6]O)	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[5]-4:N-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[6a]2H)(CC[5]O)	C(C[5]C[5]N[5]H)(NC)(O)	O(CC[5]N)	N(CC[6a]2H)(CC[5]O)	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[5]-4:N-2:O-1:	C-3:	C[4]-4:C-3:	C(C[5]C[5]N[5]H)(NC[4])(O)	O(CC[5]N)	N(C[4]C[4]2C)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[4])(O)	O(CC[5]N)	N(C[4]C[4]2C)(CC[5]O)	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[5]-4:N-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5]C[5]N[5]H)(NC[5])(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)	C(C[5]C[5]N[5]H)(NC[5])(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[5]-4:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2Fe)(NC[6])(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]2Fe)(NC[6])(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[6]-4:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]2N)(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]2C)(CC[6]O)	C(C[6]C[6]2N)(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]2C)(CC[6]O)	121.6660	0.000	1	121.6660	0.000	1	121.9955	0.217	2	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[6]-4:N-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]O[6]O)(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]O[6]C)(CC[6]O)	C(C[6]C[6]O[6]O)(NC[6])(O)	O(CC[6]N)	N(C[6]C[6]O[6]C)(CC[6]O)	122.3250	0.000	1	122.3250	0.000	1	121.9955	0.217	2	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	C[6]-4:N-2:O-1:	C-3:	S-4:C-3:	C(C[6]C[6]N[6]H)(NS)(O)	O(CC[6]N)	N(SC[6a]OO)(CC[6]O)	C(C[6]C[6]N[6]H)(NS)(O)	O(CC[6]N)	N(SC[6a]OO)(CC[6]O)	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	941	0:SP2_SP2_SP2	C	O	N	4:2:1:	3:	4:3:	N-4:N-2:O-1:	C-3:	C-4:C-3:	C(NCHH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	C(NCHH)(NC)(O)	O(CNN)	N(CCHH)(CNO)	124.1370	0.000	1	124.1370	0.000	1	124.1370	0.000	1	124.4495	40.431	97	124.1277	20.077	806	124.1277	20.077	806
930	863	945	0:SP2_SP2_SP3	C	O	P	2:3:1:	3:	3:1:1:	N-2:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[5])(PHH)(O)	O(CNP)	P(CNO)(H)2	C(NC[5])(PHH)(O)	O(CNP)	P(CNO)(H)2	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:	3:3:3:	P-3:N-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NC)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NC)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:	3:4:3:	P-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(PC[6a]C)(OB)(O)	O(COP)	P(C[6a]C[6a]2)(CC3)(COO)	C(PC[6a]C)(OB)(O)	O(COP)	P(C[6a]C[6a]2)(CC3)(COO)	124.6225	1.405	2	124.6225	1.974	2	124.6225	1.974	2	124.6225	1.974	2	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:	4:4:3:	P-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(PCC)(OB)(O)	O(COP)	P(CC3)2(COO)	C(PCC)(OB)(O)	O(COP)	P(CC3)2(COO)	120.3110	0.000	1	120.3110	0.000	1	123.9665	26.725	2	123.9665	26.725	2	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:	4:4:3:	P-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(PCC)(OP)(O)	O(COP)	P(CC3)2(COO)	C(PCC)(OP)(O)	O(COP)	P(CC3)2(COO)	127.6220	0.000	1	127.6220	0.000	1	123.9665	26.725	2	123.9665	26.725	2	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:1:1:	N-3:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCH)(PHH)(O)	O(CNP)	P(CNO)(H)2	C(NCH)(PHH)(O)	O(CNP)	P(CNO)(H)2	118.5140	0.190	2	118.5140	0.036	2	119.8734	2.899	8	119.8734	2.899	8	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:1:1:	N-3:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[5]H)(PHH)(O)	O(CNP)	P(CNO)(H)2	C(NC[5]H)(PHH)(O)	O(CNP)	P(CNO)(H)2	120.7600	0.000	1	120.7600	0.000	1	119.8734	2.899	8	119.8734	2.899	8	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:1:1:	N-3:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(PHH)(O)	O(CNP)	P(CNO)(H)2	C(NHH)(PHH)(O)	O(CNP)	P(CNO)(H)2	118.4970	0.000	1	118.4970	0.000	1	119.8734	2.899	8	119.8734	2.899	8	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:1:1:	N-3:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHN)(PHH)(O)	O(CNP)	P(CNO)(H)2	C(NHN)(PHH)(O)	O(CNP)	P(CNO)(H)2	120.6755	1.942	4	120.6755	3.770	4	119.8734	2.899	8	119.8734	2.899	8	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[5a]-3:P-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[5a]C[5a]2)(PC[6a]C)(O)	O(CC[5a]P)	P(C[6a]C[6a]2)(CC[5a]O)2	C(C[5a]C[5a]2)(PC[6a]C)(O)	O(CC[5a]P)	P(C[6a]C[6a]2)(CC[5a]O)2	117.2535	0.639	2	117.2535	0.408	2	117.2535	0.408	2	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[6a]-3:P-3:O-1:	C-3:	C-3:C-3:P-3:	C(C[6a]C[6a]2)(PCP)(O)	O(CC[6a]P)	P(CC[6a]O)2(PPP)	C(C[6a]C[6a]2)(PCP)(O)	O(CC[6a]P)	P(CC[6a]O)2(PPP)	121.0328	1.369	6	121.0328	1.875	6	121.0328	1.875	6	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[6a]-3:P-3:O-1:	C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(PNN)(O)	O(CC[6a]P)	P(CC[6a]O)(NCC)2	C(C[6a]C[6a]2)(PNN)(O)	O(CC[6a]P)	P(CC[6a]O)(NCC)2	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[6a]-3:P-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)(CC[6a]O)2	123.6687	1.284	14	123.6687	1.650	14	123.6687	1.650	14	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[6a]-3:P-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a]2)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]O)	118.9370	0.000	1	118.9370	0.000	1	121.8533	6.527	3	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	C[6a]-3:P-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	O(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]O)	123.3115	0.545	2	123.3115	0.297	2	121.8533	6.527	3	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	P-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	120.9455	1.877	2	120.9455	3.525	2	121.8920	3.546	5	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	P-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NCH)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NCH)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	120.3690	0.000	1	120.3690	0.000	1	121.8920	3.546	5	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	P-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NC[5]H)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NC[5]H)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	124.1980	0.000	1	124.1980	0.000	1	121.8920	3.546	5	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:3:	P-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(NC[6]H)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	C(PC[6a]2)(NC[6]H)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)	123.0020	0.000	1	123.0020	0.000	1	121.8920	3.546	5	122.1717	5.015	31	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:4:	C[6a]-3:P-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(PCC)(O)	O(CC[6a]P)	P(CC[3x6]O)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(PCC)(O)	O(CC[6a]P)	P(CC[3x6]O)(CC[6a]O)(CC3)	121.7980	0.000	1	121.7980	0.000	1	120.7008	0.440	5	120.7008	0.440	5	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	3:3:1:	3:	3:3:4:	C[6a]-3:P-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(PCC)(O)	O(CC[6a]P)	P(CC[6a]O)2(CH3)	C(C[6a]C[6a]2)(PCC)(O)	O(CC[6a]P)	P(CC[6a]O)2(CH3)	120.4265	0.292	4	120.4265	0.085	4	120.7008	0.440	5	120.7008	0.440	5	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	4:3:1:	3:	3:3:3:	C[5]-4:P-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]2Fe)(PC[6a]2)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)	C(C[5]C[5]2Fe)(PC[6a]2)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)	118.6240	0.000	1	118.6240	0.000	1	118.6240	0.000	1	118.6240	0.000	1	121.7072	5.598	52	121.7072	5.598	52
930	863	945	0:SP2_SP2_SP3	C	O	P	4:3:1:	3:	3:3:4:	C[3x6]-4:P-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[3x6]C[6,6]3)(PCC)(O)	O(CC[3x6]P)	P(CC[3x6]O)(CC[6a]O)(CC3)	C(C[3x6]C[6,6]3)(PCC)(O)	O(CC[3x6]P)	P(CC[3x6]O)(CC[6a]O)(CC3)	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	121.7072	5.598	52	121.7072	5.598	52
930	863	951	0:SP2_SP-NON_SP2	C	O	H	1:1:1:	3:	3:	H-1:H-1:O-1:	C-3:	C-3:	C(H)2(O)	O(CHH)	H(CHO)	C(H)2(O)	O(CHH)	H(CHO)	108.1921	10.304	18	108.1921	106.170	18	108.1921	106.170	18	115.3980	26.533	119	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	1:1:1:	3:	3:	H-1:N-1:O-1:	C-3:	C-3:	C(H)(N)(O)	O(CHN)	H(CNO)	C(H)(N)(O)	O(CHN)	H(CNO)	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	115.3980	26.533	119	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	1:1:1:	3:	3:	H-1:O-1:O-1:	C-3:	C-3:	C(H)(O)2	O(CHO)	H(COO)	C(H)(O)2	O(CHO)	H(COO)	116.6103	1.320	100	116.6103	1.743	100	116.6103	1.743	100	115.3980	26.533	119	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	C-2:H-1:O-1:	C-3:	C-3:	C(CC)(H)(O)	O(CCH)	H(CCO)	C(CC)(H)(O)	O(CCH)	H(CCO)	127.8480	0.000	1	127.8480	0.000	1	118.5595	172.552	2	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	C-2:H-1:O-1:	C-3:	C-3:	C(CH)(H)(O)	O(CCH)	H(CCO)	C(CH)(H)(O)	O(CCH)	H(CCO)	109.2710	0.000	1	109.2710	0.000	1	118.5595	172.552	2	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	N-2:H-1:O-1:	C-3:	C-3:	C(NC)(H)(O)	O(CHN)	H(CNO)	C(NC)(H)(O)	O(CHN)	H(CNO)	118.1945	7.350	17	118.1945	54.023	17	118.5880	53.631	18	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	N-2:H-1:O-1:	C-3:	C-3:	C(NN)(H)(O)	O(CHN)	H(CNO)	C(NN)(H)(O)	O(CHN)	H(CNO)	125.2760	0.000	1	125.2760	0.000	1	118.5880	53.631	18	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OB)(H)(O)	O(CHO)	H(COO)	C(OB)(H)(O)	O(CHO)	H(COO)	118.7812	1.661	5	118.7812	2.758	5	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OB[5])(H)(O)	O(CHO)	H(COO)	C(OB[5])(H)(O)	O(CHO)	H(COO)	118.0600	0.240	2	118.0600	0.058	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OB[6,6])(H)(O)	O(CHO)	H(COO)	C(OB[6,6])(H)(O)	O(CHO)	H(COO)	117.3925	0.647	2	117.3925	0.419	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OB[6])(H)(O)	O(CHO)	H(COO)	C(OB[6])(H)(O)	O(CHO)	H(COO)	117.6500	0.000	1	117.6500	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OC)(H)(O)	O(CHO)	H(COO)	C(OC)(H)(O)	O(CHO)	H(COO)	117.6428	2.276	18	117.6428	5.181	18	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OC[5,6,6])(H)(O)	O(CHO)	H(COO)	C(OC[5,6,6])(H)(O)	O(CHO)	H(COO)	117.1940	0.000	1	117.1940	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OC[5])(H)(O)	O(CHO)	H(COO)	C(OC[5])(H)(O)	O(CHO)	H(COO)	116.9810	0.000	2	116.9810	0.000	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OC[6])(H)(O)	O(CHO)	H(COO)	C(OC[6])(H)(O)	O(CHO)	H(COO)	118.9970	4.235	8	118.9970	17.932	8	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OCd)(H)(O)	O(CHO)	H(COO)	C(OCd)(H)(O)	O(CHO)	H(COO)	116.0510	0.363	2	116.0510	0.132	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OCo)(H)(O)	O(CHO)	H(COO)	C(OCo)(H)(O)	O(CHO)	H(COO)	116.5969	2.287	7	116.5969	5.230	7	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OCr)(H)(O)	O(CHO)	H(COO)	C(OCr)(H)(O)	O(CHO)	H(COO)	117.1980	0.000	1	117.1980	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OCu)(H)(O)	O(CHO)	H(COO)	C(OCu)(H)(O)	O(CHO)	H(COO)	117.0540	0.679	4	117.0540	0.462	4	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OFe)(H)(O)	O(CHO)	H(COO)	C(OFe)(H)(O)	O(CHO)	H(COO)	114.8197	0.952	3	114.8197	0.907	3	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OGe[6])(H)(O)	O(CHO)	H(COO)	C(OGe[6])(H)(O)	O(CHO)	H(COO)	116.0190	0.000	1	116.0190	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OH)(H)(O)	O(CHO)	H(COO)	C(OH)(H)(O)	O(CHO)	H(COO)	118.8955	3.630	33	118.8955	13.180	33	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OIn[5,5])(H)(O)	O(CHO)	H(COO)	C(OIn[5,5])(H)(O)	O(CHO)	H(COO)	117.2360	0.806	2	117.2360	0.650	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OIr)(H)(O)	O(CHO)	H(COO)	C(OIr)(H)(O)	O(CHO)	H(COO)	116.3210	0.000	1	116.3210	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OMn)(H)(O)	O(CHO)	H(COO)	C(OMn)(H)(O)	O(CHO)	H(COO)	116.5092	0.628	5	116.5092	0.395	5	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(ONb[6])(H)(O)	O(CHO)	H(COO)	C(ONb[6])(H)(O)	O(CHO)	H(COO)	115.8230	0.931	3	115.8230	0.868	3	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(ONi)(H)(O)	O(CHO)	H(COO)	C(ONi)(H)(O)	O(CHO)	H(COO)	116.4128	1.312	16	116.4128	1.721	16	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OP[5])(H)(O)	O(CHO)	H(COO)	C(OP[5])(H)(O)	O(CHO)	H(COO)	118.4440	0.000	1	118.4440	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OPd)(H)(O)	O(CHO)	H(COO)	C(OPd)(H)(O)	O(CHO)	H(COO)	115.5090	0.000	1	115.5090	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OPt)(H)(O)	O(CHO)	H(COO)	C(OPt)(H)(O)	O(CHO)	H(COO)	117.8445	2.367	2	117.8445	5.601	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(ORu)(H)(O)	O(CHO)	H(COO)	C(ORu)(H)(O)	O(CHO)	H(COO)	115.6830	1.327	7	115.6830	1.762	7	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OSn)(H)(O)	O(CHO)	H(COO)	C(OSn)(H)(O)	O(CHO)	H(COO)	116.8897	1.401	7	116.8897	1.964	7	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OTi)(H)(O)	O(CHO)	H(COO)	C(OTi)(H)(O)	O(CHO)	H(COO)	121.9060	1.549	2	121.9060	2.398	2	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OZn)(H)(O)	O(CHO)	H(COO)	C(OZn)(H)(O)	O(CHO)	H(COO)	116.4947	0.782	7	116.4947	0.611	7	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	O-2:H-1:O-1:	C-3:	C-3:	C(OZr)(H)(O)	O(CHO)	H(COO)	C(OZr)(H)(O)	O(CHO)	H(COO)	119.3460	0.000	1	119.3460	0.000	1	117.5212	6.846	145	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:	3:	S-2:H-1:O-1:	C-3:	C-3:	C(SFe)(H)(O)	O(CHS)	H(COS)	C(SFe)(H)(O)	O(CHS)	H(COS)	114.8140	0.232	2	114.8140	0.054	2	114.8140	0.054	2	117.6162	12.686	167	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CBrC)(H)(O)	O(CCH)	H(CCO)	C(CBrC)(H)(O)	O(CCH)	H(CCO)	118.2358	2.305	5	118.2358	5.312	5	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CCC)(H)(O)	O(CCH)	H(CCO)	C(CCC)(H)(O)	O(CCH)	H(CCO)	117.7860	1.386	28	117.7860	1.921	28	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CCH)(H)(O)	O(CCH)	H(CCO)	C(CCH)(H)(O)	O(CCH)	H(CCO)	118.0028	1.279	48	118.0028	1.637	48	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CCN)(H)(O)	O(CCH)	H(CCO)	C(CCN)(H)(O)	O(CCH)	H(CCO)	118.4481	0.701	8	118.4481	0.492	8	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CCP)(H)(O)	O(CCH)	H(CCO)	C(CCP)(H)(O)	O(CCH)	H(CCO)	116.9490	0.256	2	116.9490	0.066	2	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[5]C)(H)(O)	O(CCH)	H(CCO)	C(CC[5]C)(H)(O)	O(CCH)	H(CCO)	117.3578	1.197	13	117.3578	1.432	13	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[5]H)(H)(O)	O(CCH)	H(CCO)	C(CC[5]H)(H)(O)	O(CCH)	H(CCO)	118.6757	0.531	3	118.6757	0.282	3	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[6,6]H)(H)(O)	O(CCH)	H(CCO)	C(CC[6,6]H)(H)(O)	O(CCH)	H(CCO)	117.4840	0.044	2	117.4840	0.002	2	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[6]C)(H)(O)	O(CCH)	H(CCO)	C(CC[6]C)(H)(O)	O(CCH)	H(CCO)	118.4979	1.563	7	118.4979	2.443	7	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[6a]C)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]C)(H)(O)	O(CCH)	H(CCO)	117.8293	1.620	15	117.8293	2.624	15	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CC[6a]H)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]H)(H)(O)	O(CCH)	H(CCO)	125.2790	0.000	1	125.2790	0.000	1	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(CHN)(H)(O)	O(CCH)	H(CCO)	C(CHN)(H)(O)	O(CCH)	H(CCO)	117.9870	0.364	3	117.9870	0.133	3	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	C-3:	C-3:	C(COsC)(H)(O)	O(CCH)	H(CCO)	C(COsC)(H)(O)	O(CCH)	H(CCO)	117.4410	0.000	1	117.4410	0.000	1	117.9784	2.156	136	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[4]-3:H-1:O-1:	C-3:	C-3:	C(C[4]C[4]2)(H)(O)	O(CC[4]H)	H(CC[4]O)	C(C[4]C[4]2)(H)(O)	O(CC[4]H)	H(CC[4]O)	118.7605	0.538	2	118.7605	0.290	2	118.7605	0.290	2	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6]C[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6]C[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	117.5840	0.000	1	117.5840	0.000	1	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6a]C[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	117.3825	0.288	2	117.3825	0.083	2	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	O(CC[5]H)	H(CC[5]O)	119.0944	2.355	24	119.0944	5.545	24	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]N[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	117.8330	0.000	1	117.8330	0.000	1	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]S[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]S[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	118.4438	0.213	5	118.4438	0.045	5	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5]-3:H-1:O-1:	C-3:	C-3:	C(C[5]N[5]2)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]N[5]2)(H)(O)	O(CC[5]H)	H(CC[5]O)	118.6280	1.126	2	118.6280	1.267	2	118.7978	4.067	35	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	118.6890	0.000	1	118.6890	0.000	1	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5,5a]N[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5,5a]N[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	118.2260	0.000	1	118.2260	0.000	1	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a,6]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	118.1930	0.740	3	118.1930	0.548	3	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6]S[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a,6]S[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.9240	0.000	1	117.9240	0.000	1	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6a]C[5,5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a,6a]C[5,5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	120.1100	0.000	1	120.1100	0.000	1	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6a]C[5a,6])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a,6a]C[5a,6])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.3550	0.348	2	117.3550	0.121	2	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.3966	1.460	32	117.3966	2.133	32	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]2)(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a]2)(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.5599	0.965	80	117.5599	0.931	80	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]N[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a]N[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.8336	1.556	93	117.8336	2.420	93	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]O[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a]O[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	119.0297	2.174	24	119.0297	4.728	24	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]S[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]C[5a]S[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.5988	0.735	48	117.5988	0.541	48	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]N[5,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]N[5,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	117.3940	0.010	2	117.3940	0.000	2	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]N[5a,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]N[5a,5a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	118.4630	2.915	2	118.4630	8.495	2	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]N[5a,6]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]N[5a,6]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	118.2039	1.222	9	118.2039	1.494	9	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]N[5a,6a]C[5a])(H)(O)	O(CC[5a]H)	H(CC[5a]O)	116.4482	3.854	6	116.4482	14.850	6	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[5a]-3:H-1:O-1:	C-3:	C-3:	C(C[5a]N[5a]2)(H)(O)	O(CC[5a]H)	H(CC[5a]O)	C(C[5a]N[5a]2)(H)(O)	O(CC[5a]H)	H(CC[5a]O)	119.2590	2.357	3	119.2590	5.556	3	117.7848	2.211	308	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6,6]-3:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[4,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[4,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.7290	0.000	1	117.7290	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6,6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6,6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.2810	0.000	1	117.2810	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.8669	0.696	8	117.8669	0.484	8	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[5a,6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5a,6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	116.7360	0.000	1	116.7360	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.1135	1.093	4	117.1135	1.195	4	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6a]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6a]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.5960	0.291	2	117.5960	0.085	2	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6a]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6a]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.7020	1.502	2	117.7020	2.256	2	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.8710	2.364	72	117.8710	5.591	72	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]N[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]N[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	113.5060	8.134	3	113.5060	66.169	3	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]O[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]O[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.8820	0.000	1	117.8820	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]S[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]S[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	121.6150	0.000	1	121.6150	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6]-3:H-1:O-1:	C-3:	C-3:	C(C[6]N[5,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]N[5,6]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	121.1480	0.000	1	121.1480	0.000	1	117.7485	6.492	97	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[4,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[4,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	119.5390	0.000	1	119.5390	0.000	1	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	117.1264	0.788	8	117.1264	0.620	8	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	117.9034	1.335	14	117.9034	1.782	14	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	118.1865	0.980	26	118.1865	0.960	26	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[6a,6a]2)(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a,6a]2)(H)(O)	O(CC[6a]H)	H(CC[6a]O)	116.6830	1.443	5	116.6830	2.082	5	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	117.1109	1.581	43	117.1109	2.498	43	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	O(CC[6a]H)	H(CC[6a]O)	117.8923	1.474	902	117.8923	2.173	902	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	C[6a]-3:H-1:O-1:	C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	O(CC[6a]H)	H(CC[6a]O)	118.6240	2.621	17	118.6240	6.869	17	117.8688	2.250	1016	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	H(CNO)	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	H(CNO)	118.9545	2.618	2	118.9545	6.856	2	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NCC)(H)(O)	O(CHN)	H(CNO)	C(NCC)(H)(O)	O(CHN)	H(CNO)	117.6867	2.747	2077	117.6867	7.544	2077	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NCH)(H)(O)	O(CHN)	H(CNO)	C(NCH)(H)(O)	O(CHN)	H(CNO)	117.8780	4.508	37	117.8780	20.322	37	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[3x6]C)(H)(O)	O(CHN)	H(CNO)	C(NC[3x6]C)(H)(O)	O(CHN)	H(CNO)	117.2340	0.000	1	117.2340	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[5]C)(H)(O)	O(CHN)	H(CNO)	C(NC[5]C)(H)(O)	O(CHN)	H(CNO)	117.7670	0.000	1	117.7670	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[5]H)(H)(O)	O(CHN)	H(CNO)	C(NC[5]H)(H)(O)	O(CHN)	H(CNO)	117.5835	0.213	2	117.5835	0.045	2	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[5a]C[6a])(H)(O)	O(CHN)	H(CNO)	C(NC[5a]C[6a])(H)(O)	O(CHN)	H(CNO)	124.1520	0.000	1	124.1520	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[5a]H)(H)(O)	O(CHN)	H(CNO)	C(NC[5a]H)(H)(O)	O(CHN)	H(CNO)	117.6830	0.000	1	117.6830	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[5x3,5x5,20x6]H)(H)(O)	O(CHN)	H(CNO)	C(NC[5x3,5x5,20x6]H)(H)(O)	O(CHN)	H(CNO)	119.3650	0.000	1	119.3650	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6,6]H)(H)(O)	O(CHN)	H(CNO)	C(NC[6,6]H)(H)(O)	O(CHN)	H(CNO)	116.8143	0.181	4	116.8143	0.033	4	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6]C)(H)(O)	O(CHN)	H(CNO)	C(NC[6]C)(H)(O)	O(CHN)	H(CNO)	117.3015	0.295	2	117.3015	0.087	2	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6]H)(H)(O)	O(CHN)	H(CNO)	C(NC[6]H)(H)(O)	O(CHN)	H(CNO)	117.3918	0.657	5	117.3918	0.431	5	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]2)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]2)(H)(O)	O(CHN)	H(CNO)	118.2955	0.084	2	118.2955	0.007	2	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]B[5])(H)(O)	O(CHN)	H(CNO)	C(NC[6a]B[5])(H)(O)	O(CHN)	H(CNO)	117.5750	0.000	1	117.5750	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]C)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]C)(H)(O)	O(CHN)	H(CNO)	117.8399	1.564	14	117.8399	2.446	14	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]C[5])(H)(O)	O(CHN)	H(CNO)	C(NC[6a]C[5])(H)(O)	O(CHN)	H(CNO)	116.8000	0.000	1	116.8000	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]Fe)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]Fe)(H)(O)	O(CHN)	H(CNO)	116.8130	0.000	1	116.8130	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]H)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]H)(H)(O)	O(CHN)	H(CNO)	117.5843	1.172	44	117.5843	1.374	44	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]N)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]N)(H)(O)	O(CHN)	H(CNO)	118.7080	0.000	1	118.7080	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]Pd)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]Pd)(H)(O)	O(CHN)	H(CNO)	115.6850	1.119	3	115.6850	1.252	3	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NC[6a]Ru)(H)(O)	O(CHN)	H(CNO)	C(NC[6a]Ru)(H)(O)	O(CHN)	H(CNO)	116.1915	1.010	2	116.1915	1.021	2	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NHH)(H)(O)	O(CHN)	H(CNO)	C(NHH)(H)(O)	O(CHN)	H(CNO)	116.7763	3.560	28	116.7763	12.676	28	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NHN)(H)(O)	O(CHN)	H(CNO)	C(NHN)(H)(O)	O(CHN)	H(CNO)	121.8090	2.977	10	121.8090	8.865	10	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NN[5]H)(H)(O)	O(CHN)	H(CNO)	C(NN[5]H)(H)(O)	O(CHN)	H(CNO)	121.6130	0.000	1	121.6130	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N-3:H-1:O-1:	C-3:	C-3:	C(NN[5a]H)(H)(O)	O(CHN)	H(CNO)	C(NN[5a]H)(H)(O)	O(CHN)	H(CNO)	117.4930	0.000	1	117.4930	0.000	1	117.6955	7.672	2243	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5,6]-3:H-1:O-1:	C-3:	C-3:	C(N[5,6]C[5,6]2)(H)(O)	O(CN[5,6]H)	H(CN[5,6]O)	C(N[5,6]C[5,6]2)(H)(O)	O(CN[5,6]H)	H(CN[5,6]O)	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5]-3:H-1:O-1:	C-3:	C-3:	C(N[5]C[5,5]C[5,6])(H)(O)	O(CN[5]H)	H(CN[5]O)	C(N[5]C[5,5]C[5,6])(H)(O)	O(CN[5]H)	H(CN[5]O)	118.8390	0.000	1	118.8390	0.000	1	119.5204	9.313	18	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5]-3:H-1:O-1:	C-3:	C-3:	C(N[5]C[5,5]C[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	C(N[5]C[5,5]C[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	118.2878	0.452	4	118.2878	0.204	4	119.5204	9.313	18	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5]-3:H-1:O-1:	C-3:	C-3:	C(N[5]C[5,6a]C[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	C(N[5]C[5,6a]C[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	117.5920	0.000	1	117.5920	0.000	1	119.5204	9.313	18	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5]-3:H-1:O-1:	C-3:	C-3:	C(N[5]C[5]2)(H)(O)	O(CN[5]H)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	O(CN[5]H)	H(CN[5]O)	121.6333	4.186	7	121.6333	17.520	7	119.5204	9.313	18	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5]-3:H-1:O-1:	C-3:	C-3:	C(N[5]C[5]N[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	C(N[5]C[5]N[5])(H)(O)	O(CN[5]H)	H(CN[5]O)	118.0704	0.374	5	118.0704	0.140	5	119.5204	9.313	18	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[5a]-3:H-1:O-1:	C-3:	C-3:	C(N[5a]C[5a,6a]2)(H)(O)	O(CN[5a]H)	H(CN[5a]O)	C(N[5a]C[5a,6a]2)(H)(O)	O(CN[5a]H)	H(CN[5a]O)	117.6927	0.254	3	117.6927	0.065	3	117.6927	0.065	3	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6,6]-3:H-1:O-1:	C-3:	C-3:	C(N[6,6]C[3x6]2)(H)(O)	O(CN[6,6]H)	H(CN[6,6]O)	C(N[6,6]C[3x6]2)(H)(O)	O(CN[6,6]H)	H(CN[6,6]O)	117.7540	0.439	5	117.7540	0.192	5	117.7300	0.157	6	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6,6]-3:H-1:O-1:	C-3:	C-3:	C(N[6,6]C[3x6]C[6,6])(H)(O)	O(CN[6,6]H)	H(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(H)(O)	O(CN[6,6]H)	H(CN[6,6]O)	117.6100	0.000	1	117.6100	0.000	1	117.7300	0.157	6	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[5,6]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[5,6]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	118.2360	0.245	4	118.2360	0.060	4	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[5,6]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[5,6]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	117.5650	0.000	1	117.5650	0.000	1	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[6,6]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[6,6]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	120.3250	4.306	2	120.3250	18.544	2	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[6,6a]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[6,6a]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	117.1700	0.000	1	117.1700	0.000	1	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[6,6a]C[5,6])(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[6,6a]C[5,6])(H)(O)	O(CN[6]H)	H(CN[6]O)	118.1750	0.000	1	118.1750	0.000	1	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[6,6a]C[6])(H)(O)	O(CN[6]H)	H(CN[6]O)	117.8655	3.223	6	117.8655	10.387	6	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	N[6]-3:H-1:O-1:	C-3:	C-3:	C(N[6]C[6]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	O(CN[6]H)	H(CN[6]O)	117.5382	7.607	13	117.5382	57.861	13	117.9176	28.875	28	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	O-3:H-1:O-1:	C-3:	C-3:	C(ONi2)(H)(O)	O(CHO)	H(COO)	C(ONi2)(H)(O)	O(CHO)	H(COO)	116.3290	0.000	1	116.3290	0.000	1	116.8303	0.199	3	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	3:1:1:	3:	3:	O-3:H-1:O-1:	C-3:	C-3:	C(OZn2)(H)(O)	O(CHO)	H(COO)	C(OZn2)(H)(O)	O(CHO)	H(COO)	117.0810	0.144	2	117.0810	0.021	2	116.8303	0.199	3	117.7786	5.719	3897	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC3)(H)(O)	O(CCH)	H(CCO)	C(CC3)(H)(O)	O(CCH)	H(CCO)	117.8829	1.044	8	117.8829	1.089	8	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCCH)(H)(O)	O(CCH)	H(CCO)	C(CCCH)(H)(O)	O(CCH)	H(CCO)	117.1153	1.554	7	117.1153	2.415	7	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCCN)(H)(O)	O(CCH)	H(CCO)	C(CCCN)(H)(O)	O(CCH)	H(CCO)	118.1100	0.000	1	118.1100	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCHH)(H)(O)	O(CCH)	H(CCO)	C(CCHH)(H)(O)	O(CCH)	H(CCO)	117.2502	0.813	14	117.2502	0.661	14	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCHN)(H)(O)	O(CCH)	H(CCO)	C(CCHN)(H)(O)	O(CCH)	H(CCO)	118.1270	0.000	1	118.1270	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCHO)(H)(O)	O(CCH)	H(CCO)	C(CCHO)(H)(O)	O(CCH)	H(CCO)	117.7800	0.000	1	117.7800	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCSS)(H)(O)	O(CCH)	H(CCO)	C(CCSS)(H)(O)	O(CCH)	H(CCO)	118.1280	0.389	2	118.1280	0.151	2	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[3]HH)(H)(O)	O(CCH)	H(CCO)	C(CC[3]HH)(H)(O)	O(CCH)	H(CCO)	116.4060	0.000	1	116.4060	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[5,5]HH)(H)(O)	O(CCH)	H(CCO)	C(CC[5,5]HH)(H)(O)	O(CCH)	H(CCO)	116.5430	0.000	1	116.5430	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[5]CC)(H)(O)	O(CCH)	H(CCO)	C(CC[5]CC)(H)(O)	O(CCH)	H(CCO)	116.5500	0.000	1	116.5500	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[5]HH)(H)(O)	O(CCH)	H(CCO)	C(CC[5]HH)(H)(O)	O(CCH)	H(CCO)	116.7570	0.000	1	116.7570	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[5a]CH)(H)(O)	O(CCH)	H(CCO)	C(CC[5a]CH)(H)(O)	O(CCH)	H(CCO)	116.5510	0.000	1	116.5510	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[5a]C[6a]H)(H)(O)	O(CCH)	H(CCO)	C(CC[5a]C[6a]H)(H)(O)	O(CCH)	H(CCO)	116.7820	0.000	1	116.7820	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6]CH)(H)(O)	O(CCH)	H(CCO)	C(CC[6]CH)(H)(O)	O(CCH)	H(CCO)	117.7165	0.035	2	117.7165	0.001	2	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6]HH)(H)(O)	O(CCH)	H(CCO)	C(CC[6]HH)(H)(O)	O(CCH)	H(CCO)	117.2338	0.349	8	117.2338	0.122	8	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]CC)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]CC)(H)(O)	O(CCH)	H(CCO)	116.5672	2.424	5	116.5672	5.877	5	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]CH)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]CH)(H)(O)	O(CCH)	H(CCO)	117.0730	0.000	1	117.0730	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]CN)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]CN)(H)(O)	O(CCH)	H(CCO)	119.8470	0.000	1	119.8470	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]CO)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]CO)(H)(O)	O(CCH)	H(CCO)	118.2685	0.243	2	118.2685	0.059	2	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]C[6]H)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]C[6]H)(H)(O)	O(CCH)	H(CCO)	117.1090	0.000	1	117.1090	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CC[6a]HH)(H)(O)	O(CCH)	H(CCO)	C(CC[6a]HH)(H)(O)	O(CCH)	H(CCO)	116.4470	0.000	1	116.4470	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCo2C)(H)(O)	O(CCH)	H(CCO)	C(CCo2C)(H)(O)	O(CCH)	H(CCO)	116.8180	0.000	1	116.8180	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CCoCH)(H)(O)	O(CCH)	H(CCO)	C(CCoCH)(H)(O)	O(CCH)	H(CCO)	117.1650	4.995	2	117.1650	24.950	2	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CH3)(H)(O)	O(CCH)	H(CCO)	C(CH3)(H)(O)	O(CCH)	H(CCO)	117.9180	0.000	1	117.9180	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CHHN)(H)(O)	O(CCH)	H(CCO)	C(CHHN)(H)(O)	O(CCH)	H(CCO)	121.4100	0.000	1	121.4100	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CHHP)(H)(O)	O(CCH)	H(CCO)	C(CHHP)(H)(O)	O(CCH)	H(CCO)	119.1960	0.000	1	119.1960	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C-4:H-1:O-1:	C-3:	C-3:	C(CRuCH)(H)(O)	O(CCH)	H(CCO)	C(CRuCH)(H)(O)	O(CCH)	H(CCO)	114.7320	0.000	1	114.7320	0.000	1	117.3793	1.922	68	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3,5]-4:H-1:O-1:	C-3:	C-3:	C(C[3,5]C[3,5,6]C[3,6]C[5])(H)(O)	O(CC[3,5]H)	H(CC[3,5]O)	C(C[3,5]C[3,5,6]C[3,6]C[5])(H)(O)	O(CC[3,5]H)	H(CC[3,5]O)	117.9020	0.000	1	117.9020	0.000	1	117.6128	0.079	4	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3,5]-4:H-1:O-1:	C-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(H)(O)	O(CC[3,5]H)	H(CC[3,5]O)	C(C[3,5]C[3,5]C[3]C[5])(H)(O)	O(CC[3,5]H)	H(CC[3,5]O)	117.5163	0.250	3	117.5163	0.063	3	117.6128	0.079	4	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3,6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[3,6,6]C[3,5,6]2C[4,6,6])(H)(O)	O(CC[3,6,6]H)	H(CC[3,6,6]O)	C(C[3,6,6]C[3,5,6]2C[4,6,6])(H)(O)	O(CC[3,6,6]H)	H(CC[3,6,6]O)	117.7760	0.000	1	117.7760	0.000	1	117.8703	0.012	3	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3,6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[3,6,6]C[4,5,3x6]C[3,5,6]2)(H)(O)	O(CC[3,6,6]H)	H(CC[3,6,6]O)	C(C[3,6,6]C[4,5,3x6]C[3,5,6]2)(H)(O)	O(CC[3,6,6]H)	H(CC[3,6,6]O)	117.9175	0.098	2	117.9175	0.010	2	117.8703	0.012	3	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3]-4:H-1:O-1:	C-3:	C-3:	C(C[3]C[3,6]C[3]H)(H)(O)	O(CC[3]H)	H(CC[3]O)	C(C[3]C[3,6]C[3]H)(H)(O)	O(CC[3]H)	H(CC[3]O)	118.7140	0.000	1	118.7140	0.000	1	118.0823	0.378	9	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3]-4:H-1:O-1:	C-3:	C-3:	C(C[3]C[3]2Br)(H)(O)	O(CC[3]H)	H(CC[3]O)	C(C[3]C[3]2Br)(H)(O)	O(CC[3]H)	H(CC[3]O)	117.6060	0.000	1	117.6060	0.000	1	118.0823	0.378	9	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3]-4:H-1:O-1:	C-3:	C-3:	C(C[3]C[3]2C)(H)(O)	O(CC[3]H)	H(CC[3]O)	C(C[3]C[3]2C)(H)(O)	O(CC[3]H)	H(CC[3]O)	117.4530	1.007	2	117.4530	1.014	2	118.0823	0.378	9	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3]-4:H-1:O-1:	C-3:	C-3:	C(C[3]C[3]2H)(H)(O)	O(CC[3]H)	H(CC[3]O)	C(C[3]C[3]2H)(H)(O)	O(CC[3]H)	H(CC[3]O)	118.2407	0.387	3	118.2407	0.150	3	118.0823	0.378	9	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3]-4:H-1:O-1:	C-3:	C-3:	C(C[3]C[3]O[3]C)(H)(O)	O(CC[3]H)	H(CC[3]O)	C(C[3]C[3]O[3]C)(H)(O)	O(CC[3]H)	H(CC[3]O)	118.3965	0.131	2	118.3965	0.017	2	118.0823	0.378	9	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3x6]-4:H-1:O-1:	C-3:	C-3:	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	118.1670	0.000	1	118.1670	0.000	1	116.7998	2.009	10	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3x6]-4:H-1:O-1:	C-3:	C-3:	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	117.5860	0.000	1	117.5860	0.000	1	116.7998	2.009	10	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[3x6]-4:H-1:O-1:	C-3:	C-3:	C(C[3x6]C[6,6,6a]3)(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	C(C[3x6]C[6,6,6a]3)(H)(O)	O(CC[3x6]H)	H(CC[3x6]O)	116.5306	1.464	8	116.5306	2.145	8	116.7998	2.009	10	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[4]-4:H-1:O-1:	C-3:	C-3:	C(C[4]C[4]2C)(H)(O)	O(CC[4]H)	H(CC[4]O)	C(C[4]C[4]2C)(H)(O)	O(CC[4]H)	H(CC[4]O)	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	O(CC[5,5,6]H)	H(CC[5,5,6]O)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	O(CC[5,5,6]H)	H(CC[5,5,6]O)	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,5]-4:H-1:O-1:	C-3:	C-3:	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	O(CC[5,5]H)	H(CC[5,5]O)	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	O(CC[5,5]H)	H(CC[5,5]O)	118.2190	0.000	1	118.2190	0.000	1	117.9425	0.153	2	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,5]-4:H-1:O-1:	C-3:	C-3:	C(C[5,5]C[5,5,6]C[5]2)(H)(O)	O(CC[5,5]H)	H(CC[5,5]O)	C(C[5,5]C[5,5,6]C[5]2)(H)(O)	O(CC[5,5]H)	H(CC[5,5]O)	117.6660	0.000	1	117.6660	0.000	1	117.9425	0.153	2	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,5,6,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	117.7760	0.000	1	117.7760	0.000	1	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	116.9360	0.000	1	116.9360	0.000	1	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[5]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	117.2248	1.161	4	117.2248	1.348	4	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[6]N[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	115.9970	0.000	1	115.9970	0.000	1	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,6]C[6]O[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	117.2810	0.000	1	117.2810	0.000	1	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	117.6655	0.177	2	117.6655	0.032	2	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5,6]-4:H-1:O-1:	C-3:	C-3:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)(O)	O(CC[5,6]H)	H(CC[5,6]O)	117.1600	0.000	1	117.1600	0.000	1	117.2164	0.637	11	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]C[5,6]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5,6]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.4470	0.000	1	117.4470	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]C[5,6]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5,6]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	116.5175	1.037	2	116.5175	1.076	2	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]C[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.5140	0.000	1	117.5140	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]C[5]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.7272	0.656	4	117.7272	0.430	4	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6]2C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6]2C)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.0450	0.000	1	117.0450	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6]2H)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6]2H)(H)(O)	O(CC[5]H)	H(CC[5]O)	116.7240	0.000	1	116.7240	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6]C[5]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6]C[5]H)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.9410	0.359	5	117.9410	0.129	5	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5,6]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6a]C[5,6]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.6440	0.000	1	117.6440	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2C)(H)(O)	O(CC[5]H)	H(CC[5]O)	118.4560	1.884	3	118.4560	3.551	3	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Co)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Co)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.3950	0.000	1	117.3950	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Fe)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Fe)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.2611	1.690	24	117.2611	2.856	24	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2H)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2H)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.5487	1.020	13	117.5487	1.041	13	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Mn)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Mn)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.9360	0.000	1	117.9360	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Re)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Re)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.6268	0.305	4	117.6268	0.093	4	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Ru)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Ru)(H)(O)	O(CC[5]H)	H(CC[5]O)	117.6550	0.459	5	117.6550	0.211	5	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]C[6]O[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]C[6]O[5])(H)(O)	O(CC[5]H)	H(CC[5]O)	117.2500	0.000	1	117.2500	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]N[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	118.6415	0.120	2	118.6415	0.014	2	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5]O)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]N[5]O)(H)(O)	O(CC[5]H)	H(CC[5]O)	119.2370	0.000	1	119.2370	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[5]-4:H-1:O-1:	C-3:	C-3:	C(C[5]C[5]O[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	C(C[5]C[5]O[5]C)(H)(O)	O(CC[5]H)	H(CC[5]O)	118.5190	0.000	1	118.5190	0.000	1	117.5582	1.468	72	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[3x6]2H)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[3x6]2H)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	117.6210	0.686	2	117.6210	0.470	2	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	118.7480	2.870	5	118.7480	8.234	5	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	118.6265	0.695	2	118.6265	0.483	2	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	118.2075	0.012	2	118.2075	0.000	2	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[5,6]C[6,6]C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[5,6]C[6,6]C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	121.0070	0.000	1	121.0070	0.000	1	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	117.8870	1.020	7	117.8870	1.040	7	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6,6]-4:H-1:O-1:	C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(H)(O)	O(CC[6,6]H)	H(CC[6,6]O)	120.1048	2.051	5	120.1048	4.205	5	118.7246	3.460	24	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[3,6]C[6a]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[3,6]C[6a]C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.1300	0.000	1	117.1300	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[4x6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[4x6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.4623	0.260	3	117.4623	0.068	3	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6,6]C[5,6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6,6]C[5,6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.9310	0.000	1	117.9310	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	118.9320	0.000	1	118.9320	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	116.6570	0.000	1	116.6570	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.3785	0.227	2	117.3785	0.052	2	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]N)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6]N)(H)(O)	O(CC[6]H)	H(CC[6]O)	113.7630	0.000	1	113.7630	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]O)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[5,6]C[6]O)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.3616	0.367	8	117.3616	0.135	8	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	118.2768	1.594	10	118.2768	2.539	10	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.6584	0.720	17	117.6584	0.518	17	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6,6a]2C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6a]2C[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	117.0793	0.118	6	117.0793	0.014	6	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2C)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2C)(H)(O)	O(CC[6]H)	H(CC[6]O)	115.7433	6.572	3	115.7433	43.186	3	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2Cr)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2Cr)(H)(O)	O(CC[6]H)	H(CC[6]O)	118.4880	0.000	1	118.4880	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.3800	0.848	23	117.3800	0.719	23	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2N[5])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2N[5])(H)(O)	O(CC[6]H)	H(CC[6]O)	122.3756	3.202	5	122.3756	10.254	5	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]2Ru)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2Ru)(H)(O)	O(CC[6]H)	H(CC[6]O)	120.0150	0.000	1	120.0150	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]O[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]O[6]C)(H)(O)	O(CC[6]H)	H(CC[6]O)	119.2577	2.506	6	119.2577	6.279	6	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]O[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]O[6]H)(H)(O)	O(CC[6]H)	H(CC[6]O)	123.5770	0.000	1	123.5770	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6]S[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6]S[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	117.2705	0.163	2	117.2705	0.027	2	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6a]C[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6a]C[6]2)(H)(O)	O(CC[6]H)	H(CC[6]O)	116.8435	0.397	4	116.8435	0.157	4	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	C[6]-4:H-1:O-1:	C-3:	C-3:	C(C[6]C[6a]C[6]N[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	C(C[6]C[6a]C[6]N[6])(H)(O)	O(CC[6]H)	H(CC[6]O)	118.0440	0.000	1	118.0440	0.000	1	117.8808	4.241	98	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	4:1:1:	3:	3:	N[3]-4:H-1:O-1:	C-3:	C-3:	C(N[3]C[3x3]2C)(H)(O)	O(CN[3]H)	H(CN[3]O)	C(N[3]C[3x3]2C)(H)(O)	O(CN[3]H)	H(CN[3]O)	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	117.6872	2.663	304	117.7035	6.456	4490	117.7035	6.456	4490
930	863	951	0:SP2_SP-NON_SP2	C	O	H	5:1:1:	3:	3:	C[3x3,4,3x5,14x6]-5:H-1:O-1:	C-3:	C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)(O)	O(CC[3x3,4,3x5,14x6]H)	H(CC[3x3,4,3x5,14x6]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)(O)	O(CC[3x3,4,3x5,14x6]H)	H(CC[3x3,4,3x5,14x6]O)	118.1663	0.472	3	118.1663	0.223	3	118.1663	0.223	3	118.1663	0.223	3	117.7035	6.456	4490	117.7035	6.456	4490
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	2:3:1:	O-2:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(OC[6a])(NHN)(O)	O(CNO)	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	O(CNO)	N(NC[5])(COO)(H)	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	122.4820	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:1:1:	N-2:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6a])(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6a])(NHH)(O)	O(CNN)	N(CNO)(H)2	123.1755	1.648	2	123.1755	2.717	2	123.1755	2.717	2	123.1755	2.717	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:1:	N-2:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[5])(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	C(NC[5])(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	124.3948	7.671	6	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:1:	O-2:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(CCC)(COO)(H)	C(OC[6])(NCH)(O)	O(CNO)	N(CCC)(COO)(H)	123.4320	0.000	1	123.4320	0.000	1	125.5690	2.480	4	124.3948	7.671	6	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:1:	O-2:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(CCO)(COO)(H)	C(OC[6])(NCH)(O)	O(CNO)	N(CCO)(COO)(H)	125.3810	0.000	1	125.3810	0.000	1	125.5690	2.480	4	124.3948	7.671	6	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:1:	O-2:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(COO)2(H)	C(OC[6])(NCH)(O)	O(CNO)	N(COO)2(H)	126.7315	0.366	2	126.7315	0.134	2	125.5690	2.480	4	124.3948	7.671	6	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	3:3:1:	O-2:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(OC[3x6])(NHN)(O)	O(CNO)	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	O(CNO)	N(NC[5]C)(COO)(H)	124.7270	0.000	1	124.7270	0.000	1	124.7270	0.000	1	124.3948	7.671	6	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(CNO)	N(CCCH)(COO)(H)	C(OC[5])(NCH)(O)	O(CNO)	N(CCCH)(COO)(H)	126.5925	0.732	2	126.5925	0.536	2	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	C(OC[5])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	124.8965	0.460	2	124.8965	0.212	2	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[5])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	125.5580	0.000	1	125.5580	0.000	1	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	C(OC[6])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	124.9900	1.119	6	124.9900	1.252	6	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[6])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	127.0060	0.000	1	127.0060	0.000	1	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(CNO)	N(CCCH)(COO)(H)	C(OC[6a])(NCH)(O)	O(CNO)	N(CCCH)(COO)(H)	127.1110	0.000	1	127.1110	0.000	1	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	C(OC[6a])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	126.8803	0.582	11	126.8803	0.338	11	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[6a])(NCH)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	126.3700	0.000	1	126.3700	0.000	1	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(CNO)	N(CH3)(COO)(H)	C(OC[6a])(NCH)(O)	O(CNO)	N(CH3)(COO)(H)	126.6864	0.814	7	126.6864	0.662	7	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:1:	O-2:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(ON[5])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	C(ON[5])(NCH)(O)	O(CNO)	N(CCHH)(COO)(H)	129.8970	0.000	1	129.8970	0.000	1	126.4045	1.494	33	126.4045	1.494	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:3:3:	O-2:N-3:O-1:	C-3:	C[5]-4:C-3:N-3:	C(OC[3x6])(NC[5]N)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C(OC[3x6])(NC[5]N)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	N-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6])(NCC)(O)	O(CNN)	N(CH3)2(CNO)	C(NC[6])(NCC)(O)	O(CNN)	N(CH3)2(CNO)	123.1037	0.428	3	123.1037	0.183	3	123.3140	3.121	5	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	N-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(O)	O(CNN)	N(CCHH)(CC3)(CNO)	C(NC[6a])(NCC)(O)	O(CNN)	N(CCHH)(CC3)(CNO)	121.2020	0.000	1	121.2020	0.000	1	123.3140	3.121	5	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	N-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)(O)	O(CNN)	N(CC[6a]HH)2(CNO)	C(NC[6a])(NCC)(O)	O(CNN)	N(CC[6a]HH)2(CNO)	126.0570	0.000	1	126.0570	0.000	1	123.3140	3.121	5	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[5,5,6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	C(OC[5,5,6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	127.3990	0.000	1	127.3990	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[5,6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	C(OC[5,6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	126.9175	0.713	4	126.9175	0.509	4	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[5])(NCC)(O)	O(CNO)	N(CH3)2(COO)	C(OC[5])(NCC)(O)	O(CNO)	N(CH3)2(COO)	124.3520	0.000	1	124.3520	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	C(OC[6])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	125.3935	0.381	2	125.3935	0.145	2	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6])(NCC)(O)	O(CNO)	N(CH3)2(COO)	C(OC[6])(NCC)(O)	O(CNO)	N(CH3)2(COO)	125.1195	0.718	2	125.1195	0.515	2	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	N(CCCH)2(COO)	C(OC[6a])(NCC)(O)	O(CNO)	N(CCCH)2(COO)	125.8830	0.297	2	125.8830	0.088	2	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	C(OC[6a])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	126.7619	0.709	8	126.7619	0.503	8	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	N(CC[6a]CC)(CH3)(COO)	C(OC[6a])(NCC)(O)	O(CNO)	N(CC[6a]CC)(CH3)(COO)	124.4535	0.112	2	124.4535	0.013	2	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	N(CC[6a]HH)2(COO)	C(OC[6a])(NCC)(O)	O(CNO)	N(CC[6a]HH)2(COO)	125.6000	0.000	1	125.6000	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	N(CH3)2(COO)	C(OC[6a])(NCC)(O)	O(CNO)	N(CH3)2(COO)	126.3859	0.675	10	126.3859	0.455	10	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(ON[6])(NCC)(O)	O(CNO)	N(CH3)2(COO)	C(ON[6])(NCC)(O)	O(CNO)	N(CH3)2(COO)	130.0330	0.000	1	130.0330	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OP[5,5])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	C(OP[5,5])(NCC)(O)	O(CNO)	N(CCHH)2(COO)	127.0820	0.000	1	127.0820	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	O-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(OP[5,5])(NCC)(O)	O(CNO)	N(CC[6a]HH)(CCCH)(COO)	C(OP[5,5])(NCC)(O)	O(CNO)	N(CC[6a]HH)(CCCH)(COO)	128.2290	0.000	1	128.2290	0.000	1	126.3894	1.380	36	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	S-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(SC[4])(NCC)(O)	O(CNS)	N(CC[6a]HH)(CH3)(COS)	C(SC[4])(NCC)(O)	O(CNS)	N(CC[6a]HH)(CH3)(COS)	124.8180	0.000	1	124.8180	0.000	1	124.7230	0.200	6	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:	4:4:3:	S-2:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(SC[6a])(NCC)(O)	O(CNS)	N(CH3)2(COS)	C(SC[6a])(NCC)(O)	O(CNS)	N(CH3)2(COS)	124.7040	0.498	5	124.7040	0.248	5	124.7230	0.200	6	125.8495	2.435	47	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:1:1:	N-3:H-1:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(H)(O)	O(CHN)	N(CHO)(H)2	C(NHH)(H)(O)	O(CHN)	N(CHO)(H)2	127.6246	5.718	28	127.6246	32.694	28	127.6246	32.694	28	127.6246	32.694	28	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:2:1:	N-3:H-1:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(H)(O)	O(CHN)	N(CHO)(NC)(H)	C(NHN)(H)(O)	O(CHN)	N(CHO)(NC)(H)	123.8102	0.669	5	123.8102	0.447	5	123.8102	0.447	5	123.8102	0.447	5	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:C-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.2060	0.000	1	123.2060	0.000	1	123.2060	0.000	1	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCC)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCC)(CHO)(H)	125.3930	0.000	1	125.3930	0.000	1	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCH)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCH)(CHO)(H)	125.3640	0.000	1	125.3640	0.000	1	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCO)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCO)(CHO)(H)	122.3220	0.000	1	122.3220	0.000	1	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC[6a]C)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC[6a]C)(CHO)(H)	123.6010	0.000	1	123.6010	0.000	1	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC[6a]O)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC[6a]O)(CHO)(H)	124.6510	0.000	1	124.6510	0.000	1	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CHO)2(H)	C(NCH)(H)(O)	O(CHN)	N(CHO)2(H)	122.1365	0.323	2	122.1365	0.104	2	123.6577	2.238	7	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(H)(O)	O(CHN)	N(CHO)(NCH)(H)	C(NHN)(H)(O)	O(CHN)	N(CHO)(NCH)(H)	124.0907	0.376	4	124.0907	0.141	4	124.4532	0.763	5	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(H)(O)	O(CHN)	N(CHO)(NHH)(H)	C(NHN)(H)(O)	O(CHN)	N(CHO)(NHH)(H)	125.9030	0.000	1	125.9030	0.000	1	124.4532	0.763	5	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(H)(O)	O(CHN)	N(C[5a]C[5a]2)(CHO)(H)	C(NC[5a]H)(H)(O)	O(CHN)	N(C[5a]C[5a]2)(CHO)(H)	124.6870	0.000	1	124.6870	0.000	1	124.6870	0.000	1	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	126.2260	0.000	1	126.2260	0.000	1	125.4463	1.489	44	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	124.3510	0.000	1	124.3510	0.000	1	125.4463	1.489	44	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CHO)(H)	125.4975	1.214	41	125.4975	1.473	41	125.4463	1.489	44	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	O(CHN)	N(C[6a]C[6a]N[6a])(CHO)(H)	123.6640	0.000	1	123.6640	0.000	1	125.4463	1.489	44	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(H)(O)	O(CHN)	N(N[5]C[5]2)(CHO)(H)	C(NN[5]H)(H)(O)	O(CHN)	N(N[5]C[5]2)(CHO)(H)	126.7780	0.000	1	126.7780	0.000	1	126.7780	0.000	1	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:H-1:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(H)(O)	O(CHN)	N(N[5a]C[5a]N[5a])(CHO)(H)	C(NN[5a]H)(H)(O)	O(CHN)	N(N[5a]C[5a]N[5a])(CHO)(H)	125.0150	0.000	1	125.0150	0.000	1	125.0150	0.000	1	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(O)2	O(CNO)	N(COO)(NCH)(H)	C(NHN)(O)2	O(CNO)	N(COO)(NCH)(H)	116.9970	1.939	2	116.9970	3.759	2	116.9970	3.759	2	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(O)2	O(CNO)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(O)2	O(CNO)	N(C[5]N[5]2)(COO)(H)	115.4525	0.245	2	115.4525	0.060	2	115.4525	0.060	2	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(O)2	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(O)2	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	118.2610	12.990	2	118.2610	168.728	2	118.2610	168.728	2	124.3730	10.118	66	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:Cl-1:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(Cl)(O)	O(CClN)	N(C[6a]C[6a]2)2(CClO)	C(NC[6a]2)(Cl)(O)	O(CClN)	N(C[6a]C[6a]2)2(CClO)	127.2910	0.000	1	127.2910	0.000	1	127.2910	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)(H)(O)	O(CHN)	N(CHH)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CHH)2(CHO)	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(H)(O)	O(CHN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C(NC[6a]C[5])(H)(O)	O(CHN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	126.2850	0.000	1	126.2850	0.000	1	126.2850	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(H)(O)	O(CHN)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	C(NC[5a]C[6a])(H)(O)	O(CHN)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	124.9470	0.000	1	124.9470	0.000	1	124.9470	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:B[5]-3:C-3:	C(NC[6a]B[5])(H)(O)	O(CHN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	C(NC[6a]B[5])(H)(O)	O(CHN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	124.8720	0.000	1	124.8720	0.000	1	124.8720	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(H)(O)	O(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C(NC[6a]2)(H)(O)	O(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	123.4235	0.094	2	123.4235	0.009	2	123.4235	0.009	2	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:3:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:N-3:C-3:	C(NC[6a]N)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C(NC[6a]N)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	124.2659	3.832	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CC[6]O)(CCHH)(CHO)	C(NCC)(H)(O)	O(CHN)	N(CC[6]O)(CCHH)(CHO)	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CCCH)(CHO)	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CCCH)(CHO)	125.0975	0.243	2	125.0975	0.059	2	125.3127	1.530	14	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CCHH)(CHO)	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CCHH)(CHO)	125.7324	1.502	7	125.7324	2.255	7	125.3127	1.530	14	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	125.0400	0.000	1	125.0400	0.000	1	125.3127	1.530	14	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	125.6880	0.000	1	125.6880	0.000	1	125.3127	1.530	14	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:H-1:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CH3)(CHO)	C(NC[6a]C)(H)(O)	O(CHN)	N(C[6a]C[6a]2)(CH3)(CHO)	124.4427	1.115	3	124.4427	1.244	3	125.3127	1.530	14	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	C-3:	C[5]-3:C-4:C-3:	C(NC[5]C)(O)2	O(CNO)	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(O)2	O(CNO)	N(C[5]N[5]2)(CC3)(COO)	114.9453	1.918	6	114.9453	3.678	6	114.7696	2.331	10	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	C-3:	C[5]-3:C-4:C-3:	C(NC[5]C)(O)2	O(CNO)	N(C[5]N[5]2)(CH3)(COO)	C(NC[5]C)(O)2	O(CNO)	N(C[5]N[5]2)(CH3)(COO)	114.5060	0.841	4	114.5060	0.707	4	114.7696	2.331	10	120.9619	28.765	25	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC3)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC3)(CHO)(H)	126.5675	0.824	2	126.5675	0.679	2	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCCH)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCCH)(CHO)(H)	123.6960	0.000	1	123.6960	0.000	1	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCHH)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCHH)(CHO)(H)	124.6610	1.315	7	124.6610	1.729	7	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CCHO)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CCHO)(CHO)(H)	124.5965	0.613	2	124.5965	0.376	2	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC[6]CH)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC[6]CH)(CHO)(H)	126.9320	0.000	1	126.9320	0.000	1	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC[6a]2H)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC[6a]2H)(CHO)(H)	125.7480	0.819	3	125.7480	0.671	3	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CC[6a]HH)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CC[6a]HH)(CHO)(H)	125.5168	0.568	5	125.5168	0.323	5	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CF3)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CF3)(CHO)(H)	124.2590	0.000	1	124.2590	0.000	1	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(H)(O)	O(CHN)	N(CH3)(CHO)(H)	C(NCH)(H)(O)	O(CHN)	N(CH3)(CHO)(H)	124.5910	1.400	7	124.5910	1.960	7	125.0623	1.497	29	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(H)(O)	O(CHN)	N(C[5]C[5,5]C[5]H)(CHO)(H)	C(NC[5]H)(H)(O)	O(CHN)	N(C[5]C[5,5]C[5]H)(CHO)(H)	124.4610	0.000	1	124.4610	0.000	1	124.7965	0.225	2	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(H)(O)	O(CHN)	N(C[5]C[5]2Fe)(CHO)(H)	C(NC[5]H)(H)(O)	O(CHN)	N(C[5]C[5]2Fe)(CHO)(H)	125.1320	0.000	1	125.1320	0.000	1	124.7965	0.225	2	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(H)(O)	O(CHN)	N(C[6,6]C[3x6]2C)(CHO)(H)	C(NC[6,6]H)(H)(O)	O(CHN)	N(C[6,6]C[3x6]2C)(CHO)(H)	126.3715	0.369	4	126.3715	0.136	4	126.3715	0.136	4	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[5,6]C[6]H)(CHO)(H)	124.4890	0.000	1	124.4890	0.000	1	125.1796	1.677	5	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[6]2C)(CHO)(H)	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[6]2C)(CHO)(H)	127.3840	0.000	1	127.3840	0.000	1	125.1796	1.677	5	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:H-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[6]2H)(CHO)(H)	C(NC[6]H)(H)(O)	O(CHN)	N(C[6]C[6]2H)(CHO)(H)	124.6750	0.551	3	124.6750	0.304	3	125.1796	1.677	5	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CC3)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CC3)(COO)(H)	118.7747	1.522	4	118.7747	2.315	4	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CCHH)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CCHH)(COO)(H)	118.1601	1.109	10	118.1601	1.229	10	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CC[5,5]HH)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CC[5,5]HH)(COO)(H)	117.8778	2.452	8	117.8778	6.014	8	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CC[6]HH)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CC[6]HH)(COO)(H)	118.2375	1.626	2	118.2375	2.643	2	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CC[6a]HH)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CC[6a]HH)(COO)(H)	118.1205	0.535	2	118.1205	0.287	2	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(O)2	O(CNO)	N(CH3)(COO)(H)	C(NCH)(O)2	O(CNO)	N(CH3)(COO)(H)	118.5025	1.375	2	118.5025	1.892	2	118.1944	2.492	28	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C[5,5]-4:C-3:H-1:	C(NC[5,5]H)(O)2	O(CNO)	N(C[5,5]C[3x5,6]C[5,5,6]H)(COO)(H)	C(NC[5,5]H)(O)2	O(CNO)	N(C[5,5]C[3x5,6]C[5,5,6]H)(COO)(H)	117.0750	2.287	2	117.0750	5.229	2	117.0750	5.229	2	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(O)2	O(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(O)2	O(CNO)	N(C[6]C[6]2H)(COO)(H)	118.3670	1.403	2	118.3670	1.968	2	118.3670	1.968	2	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	C-3:	N-4:C-3:H-1:	C(NHN)(O)2	O(CNO)	N(NH3)(COO)(H)	C(NHN)(O)2	O(CNO)	N(NH3)(COO)(H)	116.5615	1.781	2	116.5615	3.173	2	116.5615	3.173	2	121.9086	14.801	74	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)(O)	O(CHN)	N(CC[6a]HH)(CCH)(CHO)	C(NCC)(H)(O)	O(CHN)	N(CC[6a]HH)(CCH)(CHO)	125.4950	0.581	5	125.4950	0.338	5	125.4350	12.932	8	123.5557	27.268	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(H)(O)	O(CHN)	N(CH3)(CHH)(CHO)	C(NCC)(H)(O)	O(CHN)	N(CH3)(CHH)(CHO)	125.3350	6.675	3	125.3350	44.562	3	125.4350	12.932	8	123.5557	27.268	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:3:	N-3:H-1:O-1:	C-3:	C[3x6]-4:C-3:C-3:	C(NC[3x6]C)(H)(O)	O(CHN)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C(NC[3x6]C)(H)(O)	O(CHN)	N(C[3x6]C[6,6]3)(CCH)(CHO)	125.4320	0.000	1	125.4320	0.000	1	125.4320	0.000	1	123.5557	27.268	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:3:3:	N-3:O-1:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(O)2	O(CNO)	N(CCHH)(CNN)(COO)	C(NCC)(O)2	O(CNO)	N(CCHH)(CNN)(COO)	115.1005	2.720	2	115.1005	7.400	2	115.1005	7.400	2	123.5557	27.268	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CCCH)(CH3)(CHO)	C(NCC)(H)(O)	O(CHN)	N(CCCH)(CH3)(CHO)	124.9292	0.754	6	124.9292	0.568	6	125.0647	22.205	2061	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CCHH)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CCHH)2(CHO)	125.3168	3.367	17	125.3168	11.335	17	125.0647	22.205	2061	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CC[5]HH)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CC[5]HH)2(CHO)	111.5990	0.000	1	111.5990	0.000	1	125.0647	22.205	2061	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CH3)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CH3)2(CHO)	125.0695	4.723	2035	125.0695	22.308	2035	125.0647	22.205	2061	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CN[5a]HH)(CH3)(CHO)	C(NCC)(H)(O)	O(CHN)	N(CN[5a]HH)(CH3)(CHO)	125.1920	0.795	2	125.1920	0.632	2	125.0647	22.205	2061	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(H)(O)	O(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHO)	C(NC[5]C)(H)(O)	O(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHO)	124.5000	0.000	1	124.5000	0.000	1	124.5000	0.000	1	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(H)(O)	O(CHN)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C(NC[6]C)(H)(O)	O(CHN)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	125.3700	0.642	2	125.3700	0.412	2	125.3700	0.412	2	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(O)2	O(CNO)	N(CCHH)(CH3)(COO)	C(NCC)(O)2	O(CNO)	N(CCHH)(CH3)(COO)	117.5978	0.727	8	117.5978	0.529	8	117.7995	0.579	13	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(O)2	O(CNO)	N(CCHH)2(COO)	C(NCC)(O)2	O(CNO)	N(CCHH)2(COO)	117.7495	0.260	2	117.7495	0.067	2	117.7995	0.579	13	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(O)2	O(CNO)	N(CH3)2(COO)	C(NCC)(O)2	O(CNO)	N(CH3)2(COO)	118.3710	0.968	3	118.3710	0.936	3	117.7995	0.579	13	125.0193	22.366	2077	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	125.7740	0.000	1	125.7740	0.000	1	125.9115	0.038	2	125.6077	0.296	3	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	126.0490	0.000	1	126.0490	0.000	1	125.9115	0.038	2	125.6077	0.296	3	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:1:1:	3:	6:3:1:	N-3:H-1:O-1:	C-3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C(NC[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NC[5x3,5x5,20x6]H)(H)(O)	O(CHN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	125.6077	0.296	3	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:1:	N-3:N-2:O-1:	C-3:	N-2:C-3:H-1:	C(NHN)(NH)(O)	O(CNN)	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	O(CNN)	N(NC[6])(CNO)(H)	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	123.8208	6.153	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:1:	N-3:O-2:O-1:	C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[5])(COO)(H)	125.4100	0.000	1	125.4100	0.000	1	124.9363	1.762	3	123.8208	6.153	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:1:	N-3:O-2:O-1:	C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6,6])(COO)(H)	123.4370	0.000	1	123.4370	0.000	1	124.9363	1.762	3	123.8208	6.153	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:1:	N-3:O-2:O-1:	C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6])(COO)(H)	125.9620	0.000	1	125.9620	0.000	1	124.9363	1.762	3	123.8208	6.153	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	2:3:3:	N-3:O-2:O-1:	C-3:	S-2:C-3:N-3:	C(NNS)(OC)(O)	O(CNO)	N(SC[5])(COO)(NCH)	C(NNS)(OC)(O)	O(CNO)	N(SC[5])(COO)(NCH)	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:C-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(CC)(O)	O(CCN)	N(CCO)(H)2	C(NHH)(CC)(O)	O(CCN)	N(CCO)(H)2	124.1840	0.000	1	124.1840	0.000	1	124.1840	0.000	1	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NC)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NC)(O)	O(CNN)	N(CNO)(H)2	122.3313	1.925	3	122.3313	3.707	3	123.3714	13.284	5	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NH)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NH)(O)	O(CNN)	N(CNO)(H)2	120.5950	0.000	1	120.5950	0.000	1	123.3714	13.284	5	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:N-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NN)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NN)(O)	O(CNN)	N(CNO)(H)2	129.2680	0.000	1	129.2680	0.000	1	123.3714	13.284	5	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:O-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CNO)	N(COO)(H)2	125.7122	1.127	23	125.7122	1.269	23	125.3873	1.892	27	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:O-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(OPt)(O)	O(CNO)	N(COO)(H)2	C(NHH)(OPt)(O)	O(CNO)	N(COO)(H)2	122.6665	1.107	2	122.6665	1.225	2	125.3873	1.892	27	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:1:1:	N-3:O-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(OSi)(O)	O(CNO)	N(COO)(H)2	C(NHH)(OSi)(O)	O(CNO)	N(COO)(H)2	124.3710	0.865	2	124.3710	0.749	2	125.3873	1.892	27	125.0454	3.757	33	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:1:	N-3:N-2:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(NH)(O)	O(CNN)	N(CNO)(NC)(H)	C(NHN)(NH)(O)	O(CNN)	N(CNO)(NC)(H)	120.2410	0.000	1	120.2410	0.000	1	120.5850	0.237	2	125.2547	2.704	70	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:1:	N-3:N-2:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NC)(H)	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NC)(H)	120.9290	0.000	1	120.9290	0.000	1	120.5850	0.237	2	125.2547	2.704	70	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NC)(H)	125.4766	1.314	64	125.4766	1.727	64	125.4766	1.727	64	125.2547	2.704	70	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CNO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	O(CNO)	N(COO)(OC)(H)	123.3970	3.160	3	123.3970	9.985	3	124.0383	8.302	4	125.2547	2.704	70	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CNO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	O(CNO)	N(COO)(OP)(H)	125.9620	0.000	1	125.9620	0.000	1	124.0383	8.302	4	125.2547	2.704	70	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:C-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CC[6a])(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CC[6a])(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	122.2250	0.266	2	122.2250	0.071	2	122.2250	0.071	2	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:C-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.8605	0.501	2	124.8605	0.251	2	124.6370	0.276	3	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:C-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5])(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.1900	0.000	1	124.1900	0.000	1	124.6370	0.276	3	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NC)(O)	O(CNN)	N(CCH)(CNO)(H)	C(NCH)(NC)(O)	O(CNN)	N(CCH)(CNO)(H)	117.0730	0.000	1	117.0730	0.000	1	119.2738	6.791	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NH)(O)	O(CNN)	N(CNN)(CNO)(H)	C(NCH)(NH)(O)	O(CNN)	N(CNN)(CNO)(H)	121.6710	0.000	1	121.6710	0.000	1	119.2738	6.791	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NH)(O)	O(CNN)	N(CNO)(COS)(H)	C(NCH)(NH)(O)	O(CNN)	N(CNO)(COS)(H)	116.9660	0.000	1	116.9660	0.000	1	119.2738	6.791	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NS)(O)	O(CNN)	N(CCN)(CNO)(H)	C(NCH)(NS)(O)	O(CNN)	N(CCN)(CNO)(H)	121.3850	0.000	1	121.3850	0.000	1	119.2738	6.791	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	O(CNN)	N(CNO)(NOO)(H)	125.8345	1.985	2	125.8345	3.940	2	125.1557	3.352	3	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(NS)(O)	O(CNN)	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	O(CNN)	N(CNO)(NCC)(H)	123.7980	0.000	1	123.7980	0.000	1	125.1557	3.352	3	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[5])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[5])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	123.4660	0.000	1	123.4660	0.000	1	124.0212	0.411	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	124.3180	0.000	1	124.3180	0.000	1	124.0212	0.411	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NC[6a])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6a])(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	124.1505	0.896	2	124.1505	0.803	2	124.0212	0.411	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	124.5810	0.000	1	124.5810	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.8978	0.583	5	123.8978	0.340	5	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[4])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[4])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.3660	0.000	1	124.3660	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.9814	0.884	10	122.9814	0.781	10	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5a])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5a])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	123.8030	0.000	1	123.8030	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6])(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	122.3070	0.000	1	122.3070	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.8313	0.822	7	123.8313	0.675	7	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	118.9770	0.000	1	118.9770	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	121.6740	0.000	1	121.6740	0.000	1	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	127.8880	0.863	3	127.8880	0.746	3	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NS)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NS)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	121.8445	0.581	2	121.8445	0.337	2	123.6116	3.393	33	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCC)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCC)(COO)(H)	124.6054	1.127	5	124.6054	1.271	5	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCH)(COO)(H)	124.8740	0.421	3	124.8740	0.177	3	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCN)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCN)(COO)(H)	126.7520	0.000	1	126.7520	0.000	1	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCO)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCO)(COO)(H)	125.9016	2.148	7	125.9016	4.612	7	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCP)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCP)(COO)(H)	126.9810	0.000	1	126.9810	0.000	1	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5]C)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5]C)(COO)(H)	125.5930	0.000	1	125.5930	0.000	1	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6]O)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6]O)(COO)(H)	126.9640	0.000	1	126.9640	0.000	1	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C)(COO)(H)	126.2705	0.641	2	126.2705	0.411	2	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]S)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]S)(COO)(H)	123.7080	1.722	3	123.7080	2.966	3	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CNN)(COO)(H)	125.5834	0.787	14	125.5834	0.620	14	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CNS)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CNS)(COO)(H)	125.7257	0.622	50	125.7257	0.387	50	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CN[5a]N)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CN[5a]N)(COO)(H)	124.4340	0.000	1	124.4340	0.000	1	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(COO)(COS)(H)	C(NCH)(OC)(O)	O(CNO)	N(COO)(COS)(H)	125.4868	1.966	4	125.4868	3.867	4	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(COO)2(H)	C(NCH)(OC)(O)	O(CNO)	N(COO)2(H)	126.4965	1.056	2	126.4965	1.115	2	125.6078	1.137	95	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCC)(H)	124.7937	1.342	19	124.7937	1.800	19	125.5420	3.770	49	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCH)(H)	124.9421	1.302	10	124.9421	1.695	10	125.5420	3.770	49	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCS)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCS)(H)	123.9380	1.239	2	123.9380	1.535	2	125.5420	3.770	49	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NHP)(H)	126.3612	0.248	4	126.3612	0.061	4	125.5420	3.770	49	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NOO)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NOO)(H)	126.9810	2.489	14	126.9810	6.196	14	125.5420	3.770	49	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2)(COO)(H)	126.2260	0.000	1	126.2260	0.000	1	124.8756	1.552	7	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]N[5]2)(COO)(H)	124.6505	1.199	6	124.6505	1.437	6	124.8756	1.552	7	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]2)(COO)(H)	125.5875	0.561	2	125.5875	0.314	2	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]N[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]N[5a])(COO)(H)	125.4515	0.566	2	125.4515	0.321	2	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]O[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]O[5a])(COO)(H)	124.0430	0.000	1	124.0430	0.000	1	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]C[5a]S[5a])(COO)(H)	123.9180	0.000	1	123.9180	0.000	1	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(COO)(H)	125.6420	0.000	1	125.6420	0.000	1	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	123.3590	0.439	9	123.3590	0.192	9	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC[6a])(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC[6a])(O)	O(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	125.5020	0.000	1	125.5020	0.000	1	124.2008	1.213	17	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2)(COO)(H)	125.7201	1.394	16	125.7201	1.943	16	125.4952	1.906	19	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]N[6])(COO)(H)	124.4400	0.000	1	124.4400	0.000	1	125.4952	1.906	19	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]N[6]S[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]N[6]S[6])(COO)(H)	124.2230	0.028	2	124.2230	0.001	2	125.4952	1.906	19	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	123.8430	1.122	11	123.8430	1.260	11	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	126.8015	0.690	4	126.8015	0.476	4	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	126.1549	1.033	196	126.1549	1.067	196	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	126.5378	1.100	12	126.5378	1.211	12	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5,6])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5,6])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	127.3150	0.000	1	127.3150	0.000	1	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	126.4764	1.094	10	126.4764	1.196	10	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	126.3082	0.916	13	126.3082	0.840	13	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	127.6634	0.757	38	127.6634	0.574	38	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC[6a])(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	127.8337	0.247	3	127.8337	0.061	3	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(ON)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(ON)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	127.8180	0.148	2	127.8180	0.022	2	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OPt)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OPt)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	123.8752	2.314	6	123.8752	5.356	6	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OSi)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OSi)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(H)	126.0040	0.000	1	126.0040	0.000	1	126.2895	1.675	297	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[3x4]C)(COO)(H)	123.8640	0.000	1	123.8640	0.000	1	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)(H)	125.0683	0.485	13	125.0683	0.235	13	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[5a]C)(COO)(H)	124.5320	0.000	1	124.5320	0.000	1	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6]C)(COO)(H)	125.0520	0.706	3	125.0520	0.498	3	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6]H)(COO)(H)	125.2330	0.000	1	125.2330	0.000	1	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]C)(COO)(H)	125.3260	0.198	4	125.3260	0.039	4	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]H)(COO)(H)	125.1360	0.294	3	125.1360	0.086	3	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]P)(COO)(H)	124.6700	0.000	1	124.6700	0.000	1	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)(H)	125.0100	0.000	1	125.0100	0.000	1	125.0380	0.233	28	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N[4]-3:C-3:H-1:	C(NN[4]H)(OC)(O)	O(CNO)	N(N[4]C[4]2)(COO)(H)	C(NN[4]H)(OC)(O)	O(CNO)	N(N[4]C[4]2)(COO)(H)	125.5016	0.354	5	125.5016	0.125	5	125.5016	0.125	5	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(OC)(O)	O(CNO)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	O(CNO)	N(N[5]C[5]2)(COO)(H)	124.3130	0.786	2	124.3130	0.618	2	124.3130	0.618	2	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(OC)(O)	O(CNO)	N(N[6]C[6]2)(COO)(H)	C(NN[6]H)(OC)(O)	O(CNO)	N(N[6]C[6]2)(COO)(H)	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:S-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(SC)(O)	O(CNS)	N(CCO)(COS)(H)	C(NCH)(SC)(O)	O(CNS)	N(CCO)(COS)(H)	119.4570	0.000	1	119.4570	0.000	1	121.5776	4.364	5	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:S-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(SC)(O)	O(CNS)	N(CC[6a]O)(COS)(H)	C(NCH)(SC)(O)	O(CNS)	N(CC[6a]O)(COS)(H)	119.7460	0.000	1	119.7460	0.000	1	121.5776	4.364	5	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:S-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(SC)(O)	O(CNS)	N(CNO)(COS)(H)	C(NCH)(SC)(O)	O(CNS)	N(CNO)(COS)(H)	124.6060	0.000	1	124.6060	0.000	1	121.5776	4.364	5	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:S-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(SS)(O)	O(CNS)	N(COO)(COS)(H)	C(NCH)(SS)(O)	O(CNS)	N(COO)(COS)(H)	122.0395	0.087	2	122.0395	0.008	2	121.5776	4.364	5	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:1:	N-3:S-2:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SC[6a])(O)	O(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SC[6a])(O)	O(CNS)	N(C[6a]C[6a]2)(COS)(H)	127.0995	1.204	4	127.0995	1.449	4	127.0995	1.449	4	125.6548	2.807	578	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:2:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-2:	C(NCN)(OC)(O)	O(CNO)	N(COO)2(NC)	C(NCN)(OC)(O)	O(CNO)	N(COO)2(NC)	122.9640	1.561	4	122.9640	2.437	4	122.9640	2.437	4	123.3607	2.379	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:2:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-2:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(CC)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(CC)	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	123.3607	2.379	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:2:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(NC)	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(NC)	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	123.3607	2.379	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:2:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(OH)	C(NC[6a]O)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(OH)	125.2440	0.000	1	125.2440	0.000	1	125.2440	0.000	1	123.3607	2.379	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:N-2:O-1:	C-3:	B[5a]-3:C[6a]-3:C-3:	C(NB[5a]C[6a])(NC[6a])(O)	O(CNN)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	C(NB[5a]C[6a])(NC[6a])(O)	O(CNN)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NC[6a])(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	123.4670	0.000	1	123.4670	0.000	1	123.4670	0.000	1	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	122.0315	1.229	4	122.0315	1.509	4	121.6114	2.014	5	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	119.9310	0.000	1	119.9310	0.000	1	121.6114	2.014	5	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCC)(COO)2	C(NCC)(OC)(O)	O(CNO)	N(CCC)(COO)2	124.8445	0.401	2	124.8445	0.161	2	123.4583	3.409	10	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)2	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)2	123.1118	1.917	8	123.1118	3.673	8	123.4583	3.409	10	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCN)(COO)(NCC)	C(NCN)(OC)(O)	O(CNO)	N(CCN)(COO)(NCC)	122.6785	1.725	2	122.6785	2.974	2	122.8815	0.718	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CCN)(COO)(NCH)	122.5225	0.421	2	122.5225	0.177	2	122.8815	0.718	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]C[5])(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]C[5])(COO)(NCH)	123.3610	0.025	2	123.3610	0.001	2	122.8815	0.718	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(COO)2(NCH)	C(NCN)(OC)(O)	O(CNO)	N(COO)2(NCH)	122.9640	1.030	2	122.9640	1.060	2	122.8815	0.718	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:N-3:	C(NC[5a]N)(OC)(O)	O(CNO)	N(C[5a]C[5a]S[5a])(COO)(NCH)	C(NC[5a]N)(OC)(O)	O(CNO)	N(C[5a]C[5a]S[5a])(COO)(NCH)	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[5a,6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[5a,6a]N[6a])(COO)2	123.2798	1.620	4	123.2798	2.623	4	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]N[6a])(COO)2	123.1527	3.303	4	123.1527	10.910	4	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCC)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCC)(COO)	123.6360	0.000	1	123.6360	0.000	1	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	123.7275	0.808	2	123.7275	0.653	2	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	123.3075	3.253	2	123.3075	10.585	2	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	123.9880	0.000	1	123.9880	0.000	1	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	125.2190	0.000	1	125.2190	0.000	1	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	121.7970	0.000	1	121.7970	0.000	1	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	124.8860	0.772	2	124.8860	0.596	2	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CN[6]C)(COO)	122.7530	0.000	1	122.7530	0.000	1	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)2	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)2	122.7130	1.863	10	122.7130	3.471	10	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(COO)2	124.8415	1.286	4	124.8415	1.653	4	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]N[6a]2)(COO)2	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]N[6a]2)(COO)2	123.1762	1.276	4	123.1762	1.628	4	123.4099	3.289	37	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	124.0957	0.316	3	124.0957	0.100	3	123.8494	0.210	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	124.0557	0.127	3	124.0557	0.016	3	123.8494	0.210	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	123.1705	0.076	2	123.1705	0.006	2	123.8494	0.210	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C(NC[6a]2)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	123.7700	1.422	3	123.7700	2.023	3	123.2809	1.228	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C(NC[6a]2)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	122.9874	0.922	5	122.9874	0.851	5	123.2809	1.228	8	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:N-3:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C(NC[6a]N)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	122.8805	1.616	11	122.8805	2.611	11	122.8805	2.611	11	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	N[5]-3:C[6a]-3:C-3:	C(NC[6a]N[5])(OC)(O)	O(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C(NC[6a]N[5])(OC)(O)	O(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	123.5130	0.781	2	123.5130	0.609	2	123.5130	0.609	2	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:S-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SC[6a])(O)	O(CNS)	N(C[6a]C[6a]2)2(COS)	C(NC[6a]2)(SC[6a])(O)	O(CNS)	N(C[6a]C[6a]2)2(COS)	124.2950	0.315	2	124.2950	0.099	2	125.5820	5.019	3	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:3:3:	N-3:S-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(SH)(O)	O(CNS)	N(C[6a]C[6a]2)2(COS)	C(NC[6a]2)(SH)(O)	O(CNS)	N(C[6a]C[6a]2)2(COS)	128.1560	0.000	1	128.1560	0.000	1	125.5820	5.019	3	123.2528	2.910	95	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:C-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC3)(CCO)	C(NC[6a]C)(CC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC3)(CCO)	123.7420	0.000	1	123.7420	0.000	1	125.5520	6.552	2	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:C-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	127.3620	0.000	1	127.3620	0.000	1	125.5520	6.552	2	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:N-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C(NC[6a]C)(NC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	121.0765	1.203	2	121.0765	1.447	2	121.0765	1.447	2	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[5a]O)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[5a]O)(CCHH)(COO)	125.0400	0.000	1	125.0400	0.000	1	123.6495	2.047	4	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]C)(CH3)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]C)(CH3)(COO)	123.7075	1.389	2	123.7075	1.931	2	123.6495	2.047	4	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(CCCH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(CCCH)(COO)	122.1430	0.000	1	122.1430	0.000	1	123.6495	2.047	4	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[5]-3:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]2)(CCHH)(COO)	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]2)(CCHH)(COO)	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(CCHH)(COO)	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(CCHH)(COO)	125.9730	0.000	1	125.9730	0.000	1	123.9561	2.017	8	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	125.3905	0.363	2	125.3905	0.132	2	123.9561	2.017	8	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	122.9033	0.267	3	122.9033	0.071	3	123.9561	2.017	8	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(CH3)(COO)	C(NC[5a]C)(OC)(O)	O(CNO)	N(C[5a]N[5a]S[5a])(CH3)(COO)	123.0925	0.919	2	123.0925	0.844	2	123.9561	2.017	8	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2)(CCHH)(COO)	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2)(CCHH)(COO)	123.0730	0.000	1	123.0730	0.000	1	123.0730	0.000	1	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	126.9750	0.000	1	126.9750	0.000	1	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	124.3342	0.612	5	124.3342	0.374	5	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	124.7280	0.000	1	124.7280	0.000	1	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	125.5690	0.000	1	125.5690	0.000	1	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	124.3077	1.037	4	124.3077	1.075	4	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	125.4870	0.000	1	125.4870	0.000	1	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]N[6a]2)(CH3)(COO)	121.3207	0.588	3	121.3207	0.346	3	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OSi)(O)	O(CNO)	N(C[6a]C[6a]2)(CC3)(COO)	C(NC[6a]C)(OSi)(O)	O(CNO)	N(C[6a]C[6a]2)(CC3)(COO)	125.0675	1.517	2	125.0675	2.301	2	124.2088	2.690	18	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:P-4:C-3:	C(NC[6a]P)(OB)(O)	O(CNO)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C(NC[6a]P)(OB)(O)	O(CNO)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:S-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SN)(O)	O(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(SN)(O)	O(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	125.1590	0.000	1	125.1590	0.000	1	125.2027	0.502	7	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:3:	N-3:S-2:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(SS)(O)	O(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(SS)(O)	O(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	125.2100	0.776	6	125.2100	0.603	6	125.2027	0.502	7	124.0128	3.270	44	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	3:4:4:	N-3:Se-2:O-1:	C-3:	C-3:C-4:C-4:	C(NCC)(SeC)(O)	O(CSeN)	N(CSeO)(CH3)2	C(NCC)(SeC)(O)	O(CSeN)	N(CSeO)(CH3)2	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:C-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(CC)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(NCH)(CC)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.4500	0.000	1	124.4500	0.000	1	123.9475	0.505	2	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:C-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(CC)(O)	O(CCN)	N(CH3)(CCO)(H)	C(NCH)(CC)(O)	O(CCN)	N(CH3)(CCO)(H)	123.4450	0.000	1	123.4450	0.000	1	123.9475	0.505	2	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NC)(O)	O(CNN)	N(CCCH)(CNO)(H)	121.6560	0.000	1	121.6560	0.000	1	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NC)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.9310	0.587	2	122.9310	0.344	2	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NC)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NCH)(NC)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	123.1950	0.000	1	123.1950	0.000	1	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NH)(O)	O(CNN)	N(CCHH)(CNO)(H)	120.9690	0.000	1	120.9690	0.000	1	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NN)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NN)(O)	O(CNN)	N(CCHH)(CNO)(H)	127.6355	0.919	2	127.6355	0.844	2	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NS)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NS)(O)	O(CNN)	N(CCCH)(CNO)(H)	121.6725	0.931	2	121.6725	0.867	2	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NS)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NS)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.3020	4.100	2	122.3020	16.808	2	123.1729	7.199	11	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(NN)(O)	O(CNN)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	C(NC[4,5]H)(NN)(O)	O(CNN)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	126.8180	0.000	1	126.8180	0.000	1	126.8180	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NS)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NS)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	120.9790	0.180	3	120.9790	0.032	3	120.9790	0.032	3	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	C-3:	N-4:C-3:H-1:	C(NHN)(NN)(O)	O(CNN)	N(NH3)(CNO)(H)	C(NHN)(NN)(O)	O(CNN)	N(NH3)(CNO)(H)	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC3)(COO)(H)	125.0324	1.095	43	125.0324	1.199	43	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCCH)(COO)(H)	124.6174	0.955	378	124.6174	0.913	378	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCCP)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCCP)(COO)(H)	126.9480	0.783	2	126.9480	0.614	2	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHH)(COO)(H)	124.6788	1.048	119	124.6788	1.099	119	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHN)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHN)(COO)(H)	125.5200	0.000	1	125.5200	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHO)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHO)(COO)(H)	124.2050	0.000	1	124.2050	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHP)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHP)(COO)(H)	124.5280	0.000	1	124.5280	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHS)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHS)(COO)(H)	124.0780	0.000	1	124.0780	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[3]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[3]CH)(COO)(H)	124.8568	0.676	6	124.8568	0.457	6	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[3x6]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[3x6]CH)(COO)(H)	124.6593	0.576	3	124.6593	0.331	3	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[4]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[4]CH)(COO)(H)	125.6370	0.685	6	125.6370	0.469	6	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[4]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[4]HH)(COO)(H)	124.5705	0.764	2	124.5705	0.584	2	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5,6]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5,6]C[6a]H)(COO)(H)	126.4070	0.000	1	126.4070	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5]CH)(COO)(H)	125.2803	0.878	11	125.2803	0.771	11	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5]HH)(COO)(H)	125.2315	0.767	11	125.2315	0.589	11	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5]HS)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5]HS)(COO)(H)	123.2190	0.000	1	123.2190	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]CC)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]CC)(COO)(H)	126.3500	0.000	1	126.3500	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)(H)	124.6185	1.039	6	124.6185	1.079	6	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]C[6a]H)(COO)(H)	125.3700	0.000	1	125.3700	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[5a]HH)(COO)(H)	124.5385	1.030	4	124.5385	1.061	4	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6,6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6,6]HH)(COO)(H)	125.5400	0.000	1	125.5400	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6]CH)(COO)(H)	125.0202	0.601	5	125.0202	0.361	5	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6]HH)(COO)(H)	125.0893	1.540	10	125.0893	2.372	10	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]2H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]2H)(COO)(H)	126.1550	0.000	1	126.1550	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)(H)	125.7641	1.483	7	125.7641	2.200	7	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	124.7205	0.895	56	124.7205	0.800	56	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CP)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CP)(COO)(H)	125.4260	0.000	1	125.4260	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CS)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CS)(COO)(H)	122.5040	0.000	1	122.5040	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[3]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[3]H)(COO)(H)	125.5590	0.395	2	125.5590	0.156	2	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[5]H)(COO)(H)	124.0464	1.399	28	124.0464	1.957	28	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[6]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[6]H)(COO)(H)	124.2576	1.017	5	124.2576	1.035	5	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HH)(COO)(H)	124.8972	1.208	5	124.8972	1.459	5	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HO)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HO)(COO)(H)	124.5780	0.000	1	124.5780	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HS)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]HS)(COO)(H)	124.4230	0.000	1	124.4230	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]N[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]N[5]H)(COO)(H)	123.6865	0.047	2	123.6865	0.002	2	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CH3)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CH3)(COO)(H)	126.2690	0.000	1	126.2690	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CN[3]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CN[3]CH)(COO)(H)	125.9500	0.000	1	125.9500	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CN[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CN[5]CH)(COO)(H)	126.6460	0.000	1	126.6460	0.000	1	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(ON)(O)	O(CNO)	N(CCHH)(COO)(H)	C(NCH)(ON)(O)	O(CNO)	N(CCHH)(COO)(H)	129.7435	0.668	2	129.7435	0.447	2	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(ON)(O)	O(CNO)	N(CH3)(COO)(H)	C(NCH)(ON)(O)	O(CNO)	N(CH3)(COO)(H)	126.8260	0.636	3	126.8260	0.405	3	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OPt)(O)	O(CNO)	N(CCHH)(COO)(H)	C(NCH)(OPt)(O)	O(CNO)	N(CCHH)(COO)(H)	122.7020	0.596	5	122.7020	0.355	5	124.7140	1.174	738	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[3]-4:C-3:H-1:	C(NC[3]H)(OC)(O)	O(CNO)	N(C[3]C[3]2C)(COO)(H)	C(NC[3]H)(OC)(O)	O(CNO)	N(C[3]C[3]2C)(COO)(H)	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[3x4]-4:C-3:H-1:	C(NC[3x4]H)(OC)(O)	O(CNO)	N(C[3x4]C[4,4]3)(COO)(H)	C(NC[3x4]H)(OC)(O)	O(CNO)	N(C[3x4]C[4,4]3)(COO)(H)	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(OC)(O)	O(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	C(NC[3x6]H)(OC)(O)	O(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	124.3450	2.551	4	124.3450	6.507	4	124.3450	6.507	4	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(OC)(O)	O(CNO)	N(C[4,5]C[4,5,5]2H)(COO)(H)	C(NC[4,5]H)(OC)(O)	O(CNO)	N(C[4,5]C[4,5,5]2H)(COO)(H)	125.4990	0.470	4	125.4990	0.221	4	125.4990	0.221	4	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2C)(COO)(H)	124.0499	0.996	8	124.0499	0.992	8	124.0892	1.272	14	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2H)(COO)(H)	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2H)(COO)(H)	124.1417	1.383	6	124.1417	1.913	6	124.0892	1.272	14	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(OC)(O)	O(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	O(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[3,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[3,5]C[5]H)(COO)(H)	124.6240	0.000	1	124.6240	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,5]C[5]H)(COO)(H)	124.7520	0.609	5	124.7520	0.371	5	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6]C[5]H)(COO)(H)	125.5650	0.000	1	125.5650	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6]N[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6]N[5]H)(COO)(H)	124.9925	0.115	2	124.9925	0.013	2	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	123.9340	0.000	1	123.9340	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	123.7086	0.802	12	123.7086	0.643	12	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	123.8870	0.890	28	123.8870	0.792	28	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	123.8250	0.000	1	123.8250	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]H)(COO)(H)	123.2190	0.000	1	123.2190	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	123.8150	0.000	1	123.8150	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]O)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]O)(COO)(H)	125.2530	0.000	1	125.2530	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]P)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]P)(COO)(H)	123.3170	0.000	1	123.3170	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	123.6610	0.856	2	123.6610	0.732	2	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	124.2067	0.242	4	124.2067	0.059	4	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	123.7743	1.291	3	123.7743	1.667	3	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(H)	124.0831	0.951	11	124.0831	0.904	11	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2Fe)(COO)(H)	125.5563	1.148	15	125.5563	1.318	15	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	125.0686	0.926	36	125.0686	0.857	36	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	125.6593	0.485	12	125.6593	0.235	12	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5a]C[5]2)(COO)(H)	123.6115	0.217	2	123.6115	0.047	2	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]2)(COO)(H)	123.1940	0.000	1	123.1940	0.000	1	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(H)	125.1740	0.701	2	125.1740	0.492	2	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OPt)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OPt)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	123.2610	0.580	2	123.2610	0.336	2	124.5657	1.225	145	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	125.2270	0.000	1	125.2270	0.000	1	124.9230	1.072	7	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[6,6]2H)(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[6,6]2H)(COO)(H)	124.5470	0.000	1	124.5470	0.000	1	124.9230	1.072	7	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	124.9374	1.244	5	124.9374	1.549	5	124.9230	1.072	7	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[3,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[3,6]C[6]H)(COO)(H)	125.5160	0.000	1	125.5160	0.000	1	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	125.3815	0.428	2	125.3815	0.183	2	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	124.7777	0.620	6	124.7777	0.384	6	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(H)	124.5252	1.609	10	124.5252	2.589	10	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	125.1583	0.966	39	125.1583	0.933	39	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2O)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2O)(COO)(H)	125.7640	0.000	1	125.7640	0.000	1	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2Ru)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2Ru)(COO)(H)	127.1490	0.000	1	127.1490	0.000	1	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]N[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]N[6]H)(COO)(H)	126.0620	0.193	3	126.0620	0.037	3	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]O[6]C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]O[6]C)(COO)(H)	123.8840	0.252	4	123.8840	0.063	4	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]O[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]O[6]H)(COO)(H)	125.4210	0.000	1	125.4210	0.000	1	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC[6])(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6])(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	127.7785	0.363	2	127.7785	0.132	2	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC[6a])(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6a])(O)	O(CNO)	N(C[6]C[6]2H)(COO)(H)	127.3078	0.577	13	127.3078	0.333	13	125.4697	1.823	83	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	N-4:C-3:H-1:	C(NHN)(OIr)(O)	O(CNO)	N(NIrHH)(COO)(H)	C(NHN)(OIr)(O)	O(CNO)	N(NIrHH)(COO)(H)	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	P-4:C-3:H-1:	C(NHP)(OC)(O)	O(CNO)	N(PO3)(COO)(H)	C(NHP)(OC)(O)	O(CNO)	N(PO3)(COO)(H)	125.7630	0.000	1	125.7630	0.000	1	125.7630	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:S-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(SC)(O)	O(CNS)	N(CCHH)(COS)(H)	C(NCH)(SC)(O)	O(CNS)	N(CCHH)(COS)(H)	126.4820	0.000	1	126.4820	0.000	1	126.3637	0.013	4	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:S-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(SS)(O)	O(CNS)	N(CC[6a]HH)(COS)(H)	C(NCH)(SS)(O)	O(CNS)	N(CC[6a]HH)(COS)(H)	126.4340	0.000	1	126.4340	0.000	1	126.3637	0.013	4	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:S-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(SS)(O)	O(CNS)	N(CH3)(COS)(H)	C(NCH)(SS)(O)	O(CNS)	N(CH3)(COS)(H)	126.2695	0.049	2	126.2695	0.002	2	126.3637	0.013	4	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:1:	N-3:S-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(SC[6a])(O)	O(CNS)	N(C[6]C[6]2H)(COS)(H)	C(NC[6]H)(SC[6a])(O)	O(CNS)	N(C[6]C[6]2H)(COS)(H)	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	124.7195	1.467	1023	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)(OH)	C(NCO)(OC)(O)	O(CNO)	N(CC[5a]CH)(COO)(OH)	123.8500	0.574	2	123.8500	0.330	2	123.8500	0.330	2	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-2:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(NC)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(NC)	122.6460	0.000	1	122.6460	0.000	1	122.6460	0.000	1	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(OH)	C(NC[5]O)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(OH)	122.4460	0.000	1	122.4460	0.000	1	123.3257	0.743	3	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(OH)	C(NC[5]O)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(OH)	123.7655	0.571	2	123.7655	0.326	2	123.3257	0.743	3	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:N-2:	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	P[4]-4:C-3:N-2:	C(NP[4]N)(OC)(O)	O(CNO)	N(P[4]N[4]2N)(COO)(NC)	C(NP[4]N)(OC)(O)	O(CNO)	N(P[4]N[4]2N)(COO)(NC)	122.0970	0.000	1	122.0970	0.000	1	122.0970	0.000	1	123.0493	0.793	8	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CCH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CCH)(COO)	125.3480	0.000	1	125.3480	0.000	1	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CCO)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CCO)(COO)	122.6567	1.963	3	122.6567	3.853	3	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(COO)2	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(COO)2	121.5215	0.197	2	121.5215	0.039	2	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CCO)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CCO)(COO)	124.2460	0.416	3	124.2460	0.173	3	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[3]HH)(CC[5a]O)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[3]HH)(CC[5a]O)(COO)	120.1860	0.000	1	120.1860	0.000	1	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[5]HH)(CCO)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[5]HH)(CCO)(COO)	124.5980	0.000	1	124.5980	0.000	1	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CCO)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CCO)(COO)	125.2060	0.000	1	125.2060	0.000	1	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CH3)(CNS)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CH3)(CNS)(COO)	125.1630	0.000	1	125.1630	0.000	1	123.4040	3.407	13	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC3)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CC3)(COO)(NCH)	121.7890	0.000	1	121.7890	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CCCH)(COO)(NCH)	122.0225	0.333	2	122.0225	0.111	2	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCCN)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CCCN)(COO)(NCH)	122.6470	0.000	1	122.6470	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCFF)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CCFF)(COO)(NCH)	120.9860	0.000	1	120.9860	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CCHH)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CCHH)(COO)(NCH)	122.8010	0.000	1	122.8010	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[5a]C[5]H)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CC[5a]C[5]H)(COO)(NCH)	123.0050	0.000	1	123.0050	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]CC)(COO)(NCH)	121.7365	1.870	2	121.7365	3.498	2	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(NCC)	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(NCC)	123.3420	0.279	2	123.3420	0.078	2	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]C[6]C)(COO)(NCC)	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]C[6]C)(COO)(NCC)	122.8280	0.000	1	122.8280	0.000	1	122.3548	0.886	12	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[3]-4:C-3:C-3:	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2C)(COO)2	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2C)(COO)2	123.0725	1.867	2	123.0725	3.487	2	123.0725	3.487	2	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	122.8050	0.000	1	122.8050	0.000	1	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	122.8460	0.000	1	122.8460	0.000	1	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	123.7165	0.173	2	123.7165	0.030	2	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	121.5140	0.000	2	121.5140	0.000	2	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(NCH)	123.5947	0.959	6	123.5947	0.920	6	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]N[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]N[5]C)(COO)(NCH)	122.0430	0.000	1	122.0430	0.000	1	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]O[5]H)(COO)(NCH)	122.8885	0.678	2	122.8885	0.460	2	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]S[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]S[5]H)(COO)(NCH)	123.9030	0.000	1	123.9030	0.000	1	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	121.2320	0.000	1	121.2320	0.000	1	122.9785	1.099	17	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C[6a]-3:C-3:	C(NC[6a]C[5])(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C(NC[6a]C[5])(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	124.1260	0.000	1	124.1260	0.000	1	124.1260	0.000	1	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(CCO)(COO)	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(CCO)(COO)	123.6740	0.000	1	123.6740	0.000	1	122.4047	1.750	3	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)2	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)2	121.7700	1.041	2	121.7700	1.083	2	122.4047	1.750	3	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:N-3:	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	123.2615	0.517	2	123.2615	0.267	2	123.3987	0.190	3	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:N-3:	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(NCH)	C(NC[6]N)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(NCH)	123.6730	0.000	1	123.6730	0.000	1	123.3987	0.190	3	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	P[4]-4:C-3:N-3:	C(NP[4]N)(OC)(O)	O(CNO)	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	O(CNO)	N(P[4]N[4]2N)(COO)(NCH)	122.8390	0.314	2	122.8390	0.099	2	122.8390	0.099	2	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	S-4:C-3:N-3:	C(NNS)(OC)(O)	O(CNO)	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	O(CNO)	N(SCOO)(COO)(NCH)	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.9459	1.617	54	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:C-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(CC)(O)	O(CCN)	N(CH3)2(CCO)	C(NCC)(CC)(O)	O(CCN)	N(CH3)2(CCO)	122.7426	0.845	8	122.7426	0.714	8	122.7426	0.714	8	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:N-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NC)(O)	O(CNN)	N(CH3)2(CNO)	C(NCC)(NC)(O)	O(CNN)	N(CH3)2(CNO)	124.5740	0.000	1	124.5740	0.000	1	125.5390	1.862	2	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:N-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NN)(O)	O(CNN)	N(CCHH)(CH3)(CNO)	C(NCC)(NN)(O)	O(CNN)	N(CCHH)(CH3)(CNO)	126.5040	0.000	1	126.5040	0.000	1	125.5390	1.862	2	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:N-2:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(NC)(O)	O(CNN)	N(C[5]C[5]2H)(CH3)(CNO)	C(NC[5]C)(NC)(O)	O(CNN)	N(C[5]C[5]2H)(CH3)(CNO)	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:N-2:O-1:	C-3:	S-4:C-4:C-3:	C(NCS)(NS)(O)	O(CNN)	N(SC[6a]OO)(CH3)(CNO)	C(NCS)(NS)(O)	O(CNN)	N(SC[6a]OO)(CH3)(CNO)	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OB)(O)	O(CNO)	N(CCCH)2(COO)	C(NCC)(OB)(O)	O(CNO)	N(CCCH)2(COO)	127.7630	0.000	2	127.7630	0.000	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OB)(O)	O(CNO)	N(CC[6a]HH)(CC3)(COO)	C(NCC)(OB)(O)	O(CNO)	N(CC[6a]HH)(CC3)(COO)	122.1285	0.308	2	122.1285	0.095	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CH3)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(CH3)(COO)	123.9106	0.578	5	123.9106	0.335	5	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)2(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCCH)2(COO)	126.3113	0.808	6	126.3113	0.653	6	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CC3)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CC3)(COO)	123.6300	0.000	1	123.6300	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CH3)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCHH)(CH3)(COO)	123.5743	0.427	3	123.5743	0.182	3	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCHH)2(COO)	C(NCC)(OC)(O)	O(CNO)	N(CCHH)2(COO)	125.2287	1.211	18	125.2287	1.467	18	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[5,5]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[5,5]HH)(CCHH)(COO)	124.7150	0.000	1	124.7150	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[5]CH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[5]CH)(CCHH)(COO)	123.8750	0.895	3	123.8750	0.801	3	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[5]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[5]HH)(CCHH)(COO)	124.0865	0.359	2	124.0865	0.129	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6]HH)(CCHH)(COO)	123.3810	0.000	1	123.3810	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]CH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]CH)(CCHH)(COO)	123.6060	0.000	1	123.6060	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CCCH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CCCH)(COO)	123.1980	0.000	1	123.1980	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CC[6]HH)(COO)	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]HH)(CC[6]HH)(COO)	124.1450	0.607	2	124.1450	0.368	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CH3)2(COO)	C(NCC)(OC)(O)	O(CNO)	N(CH3)2(COO)	125.9025	0.029	2	125.9025	0.001	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CSeHH)2(COO)	C(NCC)(OC)(O)	O(CNO)	N(CSeHH)2(COO)	123.1097	0.290	3	123.1097	0.084	3	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OFe)(O)	O(CNO)	N(CCHH)(CHHS)(COO)	C(NCC)(OFe)(O)	O(CNO)	N(CCHH)(CHHS)(COO)	119.5455	0.781	2	119.5455	0.611	2	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(OH)(O)	O(CNO)	N(CCHH)(CH3)(COO)	C(NCC)(OH)(O)	O(CNO)	N(CCHH)(CH3)(COO)	123.3713	0.169	3	123.3713	0.029	3	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(ORu)(O)	O(CNO)	N(CH3)2(COO)	C(NCC)(ORu)(O)	O(CNO)	N(CH3)2(COO)	119.2450	0.000	1	119.2450	0.000	1	124.3770	3.357	59	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:P-4:C-3:	C(NCP)(OC)(O)	O(CNO)	N(CC[6a]CH)(PCOO)(COO)	C(NCP)(OC)(O)	O(CNO)	N(CC[6a]CH)(PCOO)(COO)	122.8930	0.000	1	122.8930	0.000	1	123.4730	0.673	2	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:P-4:C-3:	C(NCP)(OC)(O)	O(CNO)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(NCP)(OC)(O)	O(CNO)	N(CC[6a]CH)(PC[6a]2O)(COO)	124.0530	0.000	1	124.0530	0.000	1	123.4730	0.673	2	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CNO)	N(CCHH)(SNOO)(COO)	C(NCS)(OC)(O)	O(CNO)	N(CCHH)(SNOO)(COO)	123.0070	0.000	1	123.0070	0.000	1	122.0720	0.733	5	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CNO)	N(CC[5,6]HH)(SCOO)(COO)	C(NCS)(OC)(O)	O(CNO)	N(CC[5,6]HH)(SCOO)(COO)	122.6510	0.000	1	122.6510	0.000	1	122.0720	0.733	5	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CNO)	N(CC[5a]HH)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	O(CNO)	N(CC[5a]HH)(SC[6a]OO)(COO)	120.8590	0.000	1	120.8590	0.000	1	122.0720	0.733	5	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CNO)	N(CC[6a]2H)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	O(CNO)	N(CC[6a]2H)(SC[6a]OO)(COO)	121.6010	0.000	1	121.6010	0.000	1	122.0720	0.733	5	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CNO)	N(CC[6a]HH)(SC[5a]OO)(COO)	C(NCS)(OC)(O)	O(CNO)	N(CC[6a]HH)(SC[5a]OO)(COO)	122.2420	0.000	1	122.2420	0.000	1	122.0720	0.733	5	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	123.0447	0.576	4	123.0447	0.332	4	123.0447	0.332	4	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	122.6710	0.000	1	122.6710	0.000	1	124.8503	9.322	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(CH3)(COO)	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(CH3)(COO)	123.5400	0.000	1	123.5400	0.000	1	124.8503	9.322	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]O[5]C)(CCHH)(COO)	C(NC[5]C)(OC)(O)	O(CNO)	N(C[5]C[5]O[5]C)(CCHH)(COO)	128.3400	0.000	1	128.3400	0.000	1	124.8503	9.322	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(CH3)(COO)	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(CH3)(COO)	124.4800	0.000	1	124.4800	0.000	1	124.5080	0.493	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	123.8200	0.000	1	123.8200	0.000	1	124.5080	0.493	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(CH3)(COO)	C(NC[6]C)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(CH3)(COO)	125.2240	0.000	1	125.2240	0.000	1	124.5080	0.493	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:P-4:C-3:	C(NC[6]P)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C(NC[6]P)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	123.2650	0.327	2	123.2650	0.107	2	123.2650	0.107	2	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:S-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SC)(O)	O(CNS)	N(CH3)2(COS)	C(NCC)(SC)(O)	O(CNS)	N(CH3)2(COS)	124.1080	0.501	2	124.1080	0.251	2	123.2410	2.380	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:S-2:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(SIn)(O)	O(CNS)	N(CCHH)2(COS)	C(NCC)(SIn)(O)	O(CNS)	N(CCHH)2(COS)	121.5070	0.000	1	121.5070	0.000	1	123.2410	2.380	3	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:	4:4:3:	N-3:S-2:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(SS)(O)	O(CNS)	N(C[6]C[6]2H)2(COS)	C(NC[6]2)(SS)(O)	O(CNS)	N(C[6]C[6]2H)2(COS)	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	123.9515	3.483	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:3:1:	C-3:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(CNO)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	124.9680	0.000	1	124.9680	0.000	1	124.9680	0.000	1	119.9669	6.258	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:3:1:	N-3:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NC[5,6])(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NC[5,6])(CNO)(H)	120.9800	0.000	1	120.9800	0.000	1	119.1333	1.673	6	119.9669	6.258	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:3:1:	N-3:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NC[5])(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NC[5])(CNO)(H)	119.1345	0.230	2	119.1345	0.053	2	119.1333	1.673	6	119.9669	6.258	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:3:1:	N-3:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NC[6,6])(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NC[6,6])(CNO)(H)	120.0750	0.000	1	120.0750	0.000	1	119.1333	1.673	6	119.9669	6.258	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:3:1:	N-3:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NC[6])(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NC[6])(CNO)(H)	117.7380	0.351	2	117.7380	0.123	2	119.1333	1.673	6	119.9669	6.258	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	2:4:3:	N-3:N-3:O-1:	C-3:	S-2:C-4:C-3:	C(NAsC)(NCS)(O)	O(CNN)	N(SC[6a])(CH3)(CNO)	C(NAsC)(NCS)(O)	O(CNN)	N(SC[6a])(CH3)(CNO)	119.6720	1.024	2	119.6720	1.048	2	119.6720	1.048	2	119.6720	1.048	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCC)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.0344	1.477	37	121.0344	2.181	37	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.9339	0.924	11	121.9339	0.853	11	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.4940	0.576	7	123.4940	0.332	7	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCO)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.3900	0.000	1	124.3900	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCP)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCP)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.9715	0.156	2	123.9715	0.024	2	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCS)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCS)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.1562	0.410	4	123.1562	0.168	4	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.4917	1.381	3	123.4917	1.908	3	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.1195	0.421	4	122.1195	0.177	4	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	119.3150	0.000	1	119.3150	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5a]O)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5a]O)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.9035	0.767	4	124.9035	0.588	4	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.7060	0.000	1	122.7060	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.1445	0.012	2	122.1445	0.000	2	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]N)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]N)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5950	0.000	1	124.5950	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CNO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CNO)(NHH)(O)	O(CCN)	N(CCO)(H)2	125.8283	1.604	3	125.8283	2.573	3	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[5]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[5]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.8630	0.000	1	123.8630	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[5a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[5a]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.0080	0.000	1	121.0080	0.000	1	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(COO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(COO)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.3165	1.112	6	124.3165	1.237	6	122.3223	3.435	89	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5,6]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6])(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	122.2180	0.585	2	122.2180	0.343	2	122.2180	0.343	2	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]N[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	123.0905	2.009	2	123.0905	4.036	2	123.8410	5.889	14	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]S[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]S[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	123.9661	2.544	12	123.9661	6.474	12	123.8410	5.889	14	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:D-1:D-1:	C(C[5a]C[5a,6]N[5a])(NDD)(O)	O(CC[5a]N)	N(CC[5a]O)(D)2	C(C[5a]C[5a,6]N[5a])(NDD)(O)	O(CC[5a]N)	N(CC[5a]O)(D)2	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a,6]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a,6]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	122.2995	0.776	17	122.2995	0.603	17	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a,6a]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	123.6181	0.672	8	123.6181	0.452	8	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]2)(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a]2)(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	122.2415	0.278	6	122.2415	0.077	6	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	123.3392	1.084	14	123.3392	1.176	14	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]O[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	124.0425	0.412	4	124.0425	0.169	4	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]S[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	121.9955	0.995	6	121.9955	0.990	6	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5a]N[5a]2)(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	C(C[5a]N[5a]2)(NHH)(O)	O(CC[5a]N)	N(CC[5a]O)(H)2	124.7535	0.719	6	124.7535	0.517	6	123.0311	1.363	61	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:O-1:	C-3:	C-3:D-1:D-1:	C(C[6]C[6]2)(NDD)(O)	O(CC[6]N)	N(CC[6]O)(D)2	C(C[6]C[6]2)(NDD)(O)	O(CC[6]N)	N(CC[6]O)(D)2	124.0225	0.004	2	124.0225	0.000	2	124.0225	0.000	2	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[5a,6]N[6])(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[5a,6]N[6])(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	125.3830	0.850	2	125.3830	0.722	2	123.1071	1.368	166	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	122.9958	1.099	156	122.9958	1.207	156	123.1071	1.368	166	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]N[6])(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	124.7080	0.857	8	124.7080	0.734	8	123.1071	1.368	166	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	121.8650	0.000	1	121.8650	0.000	1	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]N[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]N[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	123.3723	0.651	4	123.3723	0.423	4	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	122.9500	0.098	2	122.9500	0.010	2	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	122.2679	1.161	585	122.2679	1.348	585	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	123.8057	0.496	72	123.8057	0.246	72	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]N[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	124.0770	0.000	1	124.0770	0.000	1	122.4452	1.453	665	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:N-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(H)(N)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(H)(N)	124.7530	0.000	1	124.7530	0.000	1	124.7530	0.000	1	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NCC)(NHH)(O)	O(CNN)	N(CNO)(H)2	120.6388	0.246	16	120.6388	0.061	16	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.6262	1.614	76	122.6262	2.605	76	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCN)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NCN)(NHH)(O)	O(CNN)	N(CNO)(H)2	123.3645	0.385	2	123.3645	0.149	2	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCO)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NCO)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.6765	0.349	2	122.6765	0.122	2	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	123.6983	1.977	3	123.6983	3.907	3	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	123.4503	1.134	6	123.4503	1.286	6	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.2332	0.525	53	122.2332	0.276	53	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.1377	0.500	42	122.1377	0.250	42	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(H)2	123.6975	0.947	77	123.6975	0.898	77	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(H)2	124.6110	1.690	7	124.6110	2.855	7	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)2(O)	O(CNN)	N(CNO)(H)2	C(NHH)2(O)	O(CNN)	N(CNO)(H)2	121.0114	0.772	284	121.0114	0.596	284	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NN[5]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NN[5]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	124.1050	0.000	1	124.1050	0.000	1	121.8808	1.976	569	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N-3:P-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(PHH)(O)	O(CNP)	N(COP)(H)2	C(NHH)(PHH)(O)	O(CNP)	N(COP)(H)2	124.1150	0.000	1	124.1150	0.000	1	124.1150	0.000	1	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[5,6]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	O(CN[5,6]N)	N(CN[5,6]O)(H)2	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	O(CN[5,6]N)	N(CN[5,6]O)(H)2	124.3660	0.188	2	124.3660	0.035	2	124.3660	0.035	2	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[5]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)(O)	O(CN[5]N)	N(CN[5]O)(H)2	C(N[5]C[5]2)(NHH)(O)	O(CN[5]N)	N(CN[5]O)(H)2	123.1430	2.503	2	123.1430	6.266	2	123.6302	1.659	6	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[5]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(O)	O(CN[5]N)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	O(CN[5]N)	N(CN[5]O)(H)2	123.8738	0.663	4	123.8738	0.439	4	123.6302	1.659	6	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[5a]C[5a]2)(NHH)(O)	O(CN[5a]N)	N(CN[5a]O)(H)2	C(N[5a]C[5a]2)(NHH)(O)	O(CN[5a]N)	N(CN[5a]O)(H)2	124.0900	0.772	2	124.0900	0.596	2	124.9183	2.357	3	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(NHH)(O)	O(CN[5a]N)	N(CN[5a]O)(H)2	C(N[5a]C[5a]N[5a])(NHH)(O)	O(CN[5a]N)	N(CN[5a]O)(H)2	126.5750	0.000	1	126.5750	0.000	1	124.9183	2.357	3	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:1:1:	N[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(N[6a]B[6a]N[6a])(NHH)(O)	O(CN[6a]N)	N(CN[6a]O)(H)2	C(N[6a]B[6a]N[6a])(NHH)(O)	O(CN[6a]N)	N(CN[6a]O)(H)2	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	122.3552	1.977	1583	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	122.5140	0.000	1	122.5140	0.000	1	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	123.0705	1.106	4	123.0705	1.222	4	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.0000	0.415	4	124.0000	0.172	4	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]O)(NHN)(O)	O(CCN)	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	O(CCN)	N(CCO)(NN)(H)	121.6850	0.000	1	121.6850	0.000	1	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	126.1840	0.000	1	126.1840	0.000	1	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CN[5a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	125.3843	1.281	3	125.3843	1.640	3	123.9156	2.224	14	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CNO)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	C(CNO)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	119.8888	2.504	6	119.8888	6.268	6	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	123.3088	1.309	19	123.3088	1.714	19	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[5])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[5])(H)	123.7470	0.000	1	123.7470	0.000	1	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6])(H)	122.7747	0.022	3	122.7747	0.001	3	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	123.5512	0.970	29	123.5512	0.940	29	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[5,6])(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[5,6])(H)	120.1615	0.445	2	120.1615	0.198	2	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	120.2604	2.185	25	120.2604	4.774	25	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	124.0870	0.000	1	124.0870	0.000	1	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC)(H)	124.8530	0.368	5	124.8530	0.136	5	122.3345	5.056	91	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	123.3349	1.088	20	123.3349	1.183	20	123.3766	1.160	21	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6]C[6]N[6])(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	C(C[6]C[6]N[6])(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	124.2110	0.000	1	124.2110	0.000	1	123.3766	1.160	21	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6]C[6]2)(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OH)(H)	C(C[6]C[6]2)(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OH)(H)	124.8080	0.000	1	124.8080	0.000	1	124.8225	0.000	2	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6]C[6]O[6])(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OC)(H)	C(C[6]C[6]O[6])(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OC)(H)	124.8370	0.000	1	124.8370	0.000	1	124.8225	0.000	2	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	122.4940	0.871	2	122.4940	0.759	2	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	122.4069	1.229	876	122.4069	1.512	876	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	122.5143	0.950	23	122.5143	0.903	23	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a])(H)	121.6800	0.000	1	121.6800	0.000	1	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6,6])(H)	122.8560	0.000	1	122.8560	0.000	1	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6])(H)	120.9347	1.767	14	120.9347	3.122	14	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH)(H)	122.2210	0.890	2	122.2210	0.791	2	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	124.0548	0.703	60	124.0548	0.494	60	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	124.9762	0.329	4	124.9762	0.108	4	122.4990	1.656	983	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6,6a]C[6a])(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6,6a]C[6a])(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)(H)	124.2880	0.000	1	124.2880	0.000	1	122.7252	1.516	20	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)(H)	123.7643	1.364	3	123.7643	1.859	3	122.7252	1.516	20	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	121.9781	0.762	11	121.9781	0.581	11	122.7252	1.516	20	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]N[6a])(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	123.4326	1.111	5	123.4326	1.235	5	122.7252	1.516	20	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SC[6a])(H)	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:C-2:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNO)(CN)(H)	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	120.5320	1.202	27	120.5320	1.445	27	120.9219	4.486	141	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	119.4067	1.315	63	119.4067	1.729	63	120.9219	4.486	141	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)2(O)	O(CNN)	N(CNO)(NC)(H)	C(NHN)2(O)	O(CNN)	N(CNO)(NC)(H)	123.0001	1.511	51	123.0001	2.285	51	120.9219	4.486	141	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	119.6840	0.000	1	119.6840	0.000	1	120.2454	11.565	10	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	118.3615	0.243	2	118.3615	0.059	2	120.2454	11.565	10	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NCO)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	124.8223	0.792	3	124.8223	0.627	3	120.2454	11.565	10	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NC[6a]H)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	119.2190	0.000	1	119.2190	0.000	1	120.2454	11.565	10	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	117.4537	2.010	3	117.4537	4.042	3	120.2454	11.565	10	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N-3:P-3:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(PHH)(O)	O(CNP)	N(COP)(NH)(H)	C(NHN)(PHH)(O)	O(CNP)	N(COP)(NH)(H)	124.2495	0.616	2	124.2495	0.379	2	124.2495	0.379	2	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(N[5a]C[5a,6a]C[5a])(NHO)(O)	O(CN[5a]N)	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(NHO)(O)	O(CN[5a]N)	N(CN[5a]O)(OC)(H)	125.0050	0.000	1	125.0050	0.000	1	126.3130	1.284	3	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	O(CN[5a]N)	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	O(CN[5a]N)	N(CN[5a]O)(OC)(H)	126.9670	0.041	2	126.9670	0.002	2	126.3130	1.284	3	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	N[6]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(N[6]C[6]2)(NHO)(O)	O(CN[6]N)	N(CN[6]O)(OC)(H)	C(N[6]C[6]2)(NHO)(O)	O(CN[6]N)	N(CN[6]O)(OC)(H)	123.2890	0.000	1	123.2890	0.000	1	123.2890	0.000	1	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:1:	O[3x4]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(O[3x4]C[6x4]2)(NHN)(O)	O(CO[3x4]N)	N(CO[3x4]O)(NC)(H)	C(O[3x4]C[6x4]2)(NHN)(O)	O(CO[3x4]N)	N(CO[3x4]O)(NC)(H)	125.7420	0.000	1	125.7420	0.000	1	125.7420	0.000	1	122.3502	2.636	1292	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(NOO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)2	C(C[6a]C[6a]2)(NOO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)2	120.8665	0.233	2	120.8665	0.054	2	120.8665	0.054	2	120.8665	0.054	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:2:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:S-2:N-3:	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(SN[5])(NCC)	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(SN[5])(NCC)	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	118.6520	0.000	1	118.6520	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	120.8870	0.000	1	120.8870	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CCO)2(H)	C(CCC)(NCH)(O)	O(CCN)	N(CCO)2(H)	117.1840	0.000	1	117.1840	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CCS)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CCS)(H)	124.1150	0.000	1	124.1150	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	123.0040	0.389	4	123.0040	0.151	4	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.4507	0.458	6	122.4507	0.210	6	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CCO)2(H)	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CCO)2(H)	118.2250	0.402	2	118.2250	0.161	2	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	124.7170	0.000	1	124.7170	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC[6a]O)(CCO)(H)	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC[6a]O)(CCO)(H)	122.5890	0.000	1	122.5890	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CClC)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CClC)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	117.4570	0.000	1	117.4570	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CNN)(NCH)(O)	O(CCN)	N(CCN)(CCO)(H)	C(CNN)(NCH)(O)	O(CCN)	N(CCN)(CCO)(H)	122.3870	0.288	2	122.3870	0.083	2	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CN[6]S)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(CN[6]S)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	120.9990	0.000	1	120.9990	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(COO)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(COO)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	126.6040	0.000	1	126.6040	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(COO)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(COO)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	127.6660	0.000	1	127.6660	0.000	1	122.0339	6.894	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.9696	0.669	8	121.9696	0.448	8	123.5652	2.926	19	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	121.9640	0.000	1	121.9640	0.000	1	123.5652	2.926	19	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	124.3550	0.318	2	124.3550	0.101	2	123.5652	2.926	19	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	125.8310	0.000	1	125.8310	0.000	1	123.5652	2.926	19	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	125.0681	0.847	7	125.0681	0.717	7	123.5652	2.926	19	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]H)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]H)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	120.6883	0.448	3	120.6883	0.201	3	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.1970	0.901	4	125.1970	0.812	4	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	124.4820	0.000	1	124.4820	0.000	1	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.4155	1.074	2	122.4155	1.154	2	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]N)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]N)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.6720	0.000	1	125.6720	0.000	1	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.0752	0.857	6	126.0752	0.734	6	124.3699	4.866	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C-3:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CCN)(NHN)(O)	O(CCN)	N(NNiC)(CCO)(H)	C(CCN)(NHN)(O)	O(CCN)	N(NNiC)(CCO)(H)	124.8120	0.000	1	124.8120	0.000	1	124.8120	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5,6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	125.0815	0.640	2	125.0815	0.410	2	125.0815	0.410	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5]O[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNS)(H)	C(C[5]C[5]O[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNS)(H)	125.6520	0.000	1	125.6520	0.000	1	125.6520	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5]C[5]N[5])(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5])(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	122.2490	0.000	1	122.2490	0.000	1	121.1890	6.094	13	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5]C[5]N[5])(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NNiC)(H)	C(C[5]C[5]N[5])(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NNiC)(H)	121.1007	2.557	12	121.1007	6.537	12	121.1890	6.094	13	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]S[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	125.0160	0.000	1	125.0160	0.000	1	124.7145	0.182	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]S[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]N[6]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]N[6]2)(CC[5]O)(H)	124.4130	0.000	1	124.4130	0.000	1	124.7145	0.182	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.0956	0.833	11	123.0956	0.693	11	123.8071	1.287	22	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.0220	0.411	6	124.0220	0.169	6	123.8071	1.287	22	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]P[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]P[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.8480	0.000	1	124.8480	0.000	1	123.8071	1.287	22	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]S[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.6097	0.651	3	124.6097	0.423	3	123.8071	1.287	22	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	126.8960	0.000	1	126.8960	0.000	1	123.8071	1.287	22	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	122.1245	0.444	4	122.1245	0.197	4	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC[6a]C)(H)	122.8630	0.000	1	122.8630	0.000	1	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNN)(H)	122.3800	0.000	1	122.3800	0.000	1	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	123.9524	1.276	19	123.9524	1.627	19	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CN[6]S)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CN[6]S)(H)	122.9110	0.000	1	122.9110	0.000	1	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNO)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNO)(H)	122.4045	0.351	2	122.4045	0.124	2	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	122.7053	0.433	20	122.7053	0.187	20	123.1388	1.187	48	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6a]H)(H)	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NC[6a]H)(H)	123.4340	0.000	1	123.4340	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	122.8120	0.000	1	122.8120	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	122.3543	1.578	8	122.3543	2.491	8	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	122.3546	1.208	9	122.3546	1.460	9	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NOO)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NOO)(H)	123.1460	0.000	1	123.1460	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	122.1925	0.250	2	122.1925	0.062	2	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCuC)(H)	123.4505	0.524	2	123.4505	0.275	2	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	122.8757	0.126	3	122.8757	0.016	3	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHP)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHP)(H)	124.5060	0.000	1	124.5060	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	122.4590	1.453	4	122.4590	2.111	4	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCuC)(H)	123.2870	0.305	4	123.2870	0.093	4	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	122.3630	0.000	1	122.3630	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHS)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHS)(H)	118.3920	0.000	1	118.3920	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	123.6990	0.223	2	123.6990	0.050	2	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NHH)(H)	122.0020	0.000	1	122.0020	0.000	1	122.6091	1.659	41	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]2)(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]N[5a]S[5a])(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]N[5a]S[5a])(CC[5a]O)(H)	120.8797	1.057	3	120.8797	1.117	3	122.5597	2.734	8	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]C[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]C[5a]2)(CC[5a]O)(H)	122.8080	0.361	2	122.8080	0.130	2	122.5597	2.734	8	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]N[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]N[5a]2)(CC[5a]O)(H)	124.3955	0.825	2	124.3955	0.681	2	122.5597	2.734	8	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	O(CC[5a]N)	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	123.4320	0.000	1	123.4320	0.000	1	122.5597	2.734	8	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2)(CC[5a]O)(H)	124.3777	0.513	4	124.3777	0.263	4	124.3777	0.263	4	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.2272	0.939	13	122.2272	0.882	13	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.0850	1.022	2	122.0850	1.045	2	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]2)(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.7834	1.249	18	122.7834	1.561	18	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	123.8438	0.752	34	123.8438	0.566	34	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	123.3530	0.377	3	123.3530	0.142	3	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.9694	0.515	10	124.9694	0.265	10	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	124.1960	0.000	1	124.1960	0.000	1	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	125.5850	0.000	1	125.5850	0.000	1	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	123.0627	1.166	3	123.0627	1.359	3	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.0101	0.923	17	124.0101	0.851	17	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	123.1200	0.000	1	123.1200	0.000	1	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	126.0180	0.000	1	126.0180	0.000	1	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]N[5a]2)(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]2)(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.8342	0.587	8	124.8342	0.345	8	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	125.5720	0.000	1	125.5720	0.000	1	123.6654	1.518	113	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)(H)	124.4610	0.000	1	124.4610	0.000	1	124.4610	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NN[6]H)(O)	O(CC[5a]N)	N(N[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[6]H)(O)	O(CC[5a]N)	N(N[6]C[6]2)(CC[5a]O)(H)	123.7160	0.098	2	123.7160	0.010	2	123.7160	0.010	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(COO)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(COO)(H)	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCH)(H)	123.5293	0.729	6	123.5293	0.532	6	123.0142	0.438	20	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NHH)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NHH)(H)	122.7934	0.510	14	122.7934	0.261	14	123.0142	0.438	20	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(C[6]C[6]N[6])(NC[5]H)(O)	O(CC[6]N)	N(C[5]N[5]S[5])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5]H)(O)	O(CC[6]N)	N(C[5]N[5]S[5])(CC[6]O)(H)	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6]C[6]N[6])(NC[5a]H)(O)	O(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5a]H)(O)	O(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	121.5489	0.700	10	121.5489	0.489	10	121.5489	0.489	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2)(CC[6]O)(H)	123.5640	0.000	1	123.5640	0.000	1	121.3785	0.678	37	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6]C[6]N[6])(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]N[6])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]N[6])(CC[6]O)(H)	121.3178	0.746	36	121.3178	0.557	36	121.3785	0.678	37	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	120.7060	1.194	2	120.7060	1.425	2	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	121.4390	0.000	1	121.4390	0.000	1	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	124.6207	1.470	6	124.6207	2.160	6	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	123.9717	1.403	30	123.9717	1.970	30	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	124.5583	1.474	16	124.5583	2.172	16	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	123.2169	0.829	19	123.2169	0.688	19	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]S[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]S[6])(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	122.5597	0.877	6	122.5597	0.769	6	123.7392	2.182	80	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(H)	122.3012	1.072	5	122.3012	1.148	5	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C[5])(CC[6a]O)(H)	116.7090	0.000	1	116.7090	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	120.5544	0.859	5	120.5544	0.737	5	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCC)(H)	121.0416	1.298	14	121.0416	1.685	14	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(H)	121.5950	0.923	7	121.5950	0.852	7	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCN)(H)	122.4910	0.000	1	122.4910	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCO)(H)	121.9897	2.540	3	121.9897	6.450	3	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCS)(H)	123.1050	0.000	1	123.1050	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[5]H)(H)	121.1980	0.000	1	121.1980	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHO)(H)	119.7230	0.000	1	119.7230	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)(H)	120.0100	2.011	6	120.0100	4.046	6	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNO)(H)	122.8947	1.287	25	122.8947	1.655	25	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)(H)	122.3508	0.963	280	122.3508	0.928	280	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[5]S)(H)	122.7105	1.028	6	122.7105	1.057	6	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[6]S)(H)	121.6230	1.008	3	121.6230	1.016	3	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(COS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(COS)(H)	122.8806	1.291	9	122.8806	1.667	9	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSS)(H)	121.8130	0.163	2	121.8130	0.026	2	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)(H)	121.9158	1.202	5	121.9158	1.445	5	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)2(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)2(H)	122.9480	0.000	1	122.9480	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]N)(CC[6a]O)(H)	123.4930	0.000	1	123.4930	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCC)(H)	122.1270	0.000	1	122.1270	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(H)	123.7470	0.000	1	123.7470	0.000	1	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHN)(H)	123.1666	0.400	11	123.1666	0.160	11	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNN)(H)	121.9775	0.293	2	121.9775	0.086	2	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNO)(H)	124.7069	0.797	14	124.7069	0.635	14	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)2(H)	124.8889	0.676	19	124.8889	0.457	19	122.4707	1.764	425	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	123.0370	0.000	1	123.0370	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	122.4068	1.626	13	122.4068	2.643	13	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	121.5920	1.149	105	121.5920	1.320	105	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCP)(H)	122.8720	0.000	1	122.8720	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCS)(H)	122.0580	0.000	1	122.0580	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a]H)(H)	121.5760	0.000	1	121.5760	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6]H)(H)	122.2830	0.656	3	122.2830	0.430	3	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]2)(H)	121.8020	0.000	1	121.8020	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]C)(H)	122.2687	1.987	3	122.2687	3.950	3	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	122.3286	0.769	11	122.3286	0.591	11	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCoC)(H)	121.6300	0.000	1	121.6300	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)(H)	122.3320	0.000	1	122.3320	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	122.3778	1.190	108	122.3778	1.417	108	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHS)(H)	123.4465	0.527	2	123.4465	0.278	2	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPtC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPtC)(H)	121.8680	0.000	1	121.8680	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NReC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NReC)(H)	123.2547	1.174	3	123.2547	1.378	3	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	124.3290	0.000	1	124.3290	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	123.3159	0.758	10	123.3159	0.575	10	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	123.3836	0.438	5	123.3836	0.191	5	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NPdC)(H)	125.9400	0.000	1	125.9400	0.000	1	122.1564	1.593	273	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:S-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SCO)(H)	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2)(CC[6a]O)(H)	121.3822	0.202	5	121.3822	0.041	5	121.5212	0.176	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]N[5])(CC[6a]O)(H)	122.0180	0.433	2	122.0180	0.187	2	121.5212	0.176	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]O[5])(CC[6a]O)(H)	121.1060	0.116	2	121.1060	0.013	2	121.5212	0.176	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]Se[5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]Se[5]C[5])(CC[6a]O)(H)	122.0530	0.000	1	122.0530	0.000	1	121.5212	0.176	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	121.9930	0.000	1	121.9930	0.000	1	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(H)	122.2438	0.914	4	122.2438	0.836	4	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	122.5955	0.738	8	122.5955	0.544	8	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	120.6801	0.634	7	120.6801	0.402	7	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)(H)	121.5873	0.896	3	121.5873	0.802	3	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	120.7247	1.531	37	120.7247	2.344	37	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(H)	125.0210	0.000	1	125.0210	0.000	1	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]2)(CC[6a]O)(H)	123.3017	0.942	4	123.3017	0.888	4	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	121.3565	0.351	2	121.3565	0.124	2	121.3285	2.424	67	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	123.3905	1.121	2	123.3905	1.256	2	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	123.1370	0.000	1	123.1370	0.000	1	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	122.2480	0.000	1	122.2480	0.000	1	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	122.4696	1.082	31	122.4696	1.171	31	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]N[6])(CC[6a]O)(H)	122.6655	0.681	15	122.6655	0.464	15	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]N[6]S[6])(CC[6a]O)(H)	120.8423	0.463	3	120.8423	0.214	3	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)(H)	123.7190	1.291	56	123.7190	1.668	56	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]N[6])(CC[6a]O)(H)	123.9219	0.647	9	123.9219	0.419	9	123.1762	1.680	118	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	121.6405	0.941	2	121.6405	0.886	2	121.6405	0.886	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.6720	0.398	3	122.6720	0.159	3	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7400	0.376	2	122.7400	0.142	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.5040	0.000	1	124.5040	0.000	1	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.3955	1.537	2	123.3955	2.361	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.2615	0.550	4	123.2615	0.303	4	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	123.9125	0.117	2	123.9125	0.014	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.6805	1.084	11	123.6805	1.175	11	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	125.1335	0.380	2	125.1335	0.144	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	123.2937	0.791	6	123.2937	0.625	6	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	120.7700	0.000	1	120.7700	0.000	1	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	122.8545	0.515	6	122.8545	0.265	6	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	122.5747	1.532	6	122.5747	2.347	6	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	122.9310	0.639	5	122.9310	0.409	5	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	123.2392	1.034	58	123.2392	1.070	58	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	126.3935	0.257	2	126.3935	0.066	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.2205	1.171	945	123.2205	1.371	945	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.5115	1.024	97	123.5115	1.048	97	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	120.8823	3.402	3	120.8823	11.576	3	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	121.9790	0.000	1	121.9790	0.000	1	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	124.8713	0.494	4	124.8713	0.244	4	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	124.3840	0.327	2	124.3840	0.107	2	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.2005	0.699	39	125.2005	0.489	39	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.1152	0.926	212	125.1152	0.857	212	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	124.7145	0.742	44	124.7145	0.550	44	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	125.9000	0.000	1	125.9000	0.000	1	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.6736	0.507	10	125.6736	0.257	10	123.6345	1.805	1469	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	123.8690	0.000	1	123.8690	0.000	1	122.7646	0.995	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	122.9998	0.884	8	122.9998	0.782	8	122.7646	0.995	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)(H)	122.4458	1.046	13	122.4458	1.094	13	122.7646	0.995	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	O(CC[6a]N)	N(N[5]C[5]2)(CC[6a]O)(H)	123.3440	0.786	2	123.3440	0.618	2	122.7646	0.995	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	121.7993	0.537	3	121.7993	0.289	3	122.1155	2.013	16	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	119.8010	0.000	1	119.8010	0.000	1	122.1155	2.013	16	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	122.8140	1.288	5	122.8140	1.660	5	122.1155	2.013	16	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	121.4412	1.369	5	121.4412	1.873	5	122.1155	2.013	16	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	123.6865	0.418	2	123.6865	0.175	2	122.1155	2.013	16	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6,6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6,6]2)(CC[6a]O)(H)	121.6335	0.134	2	121.6335	0.018	2	122.7538	1.535	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	124.4220	0.000	1	124.4220	0.000	1	122.7538	1.535	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(H)	122.8356	1.187	7	122.8356	1.410	7	122.7538	1.535	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(H)	122.4685	1.908	4	122.4685	3.641	4	122.4685	3.641	4	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCC)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCC)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	122.8160	0.590	2	122.8160	0.348	2	121.1318	2.869	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	118.3560	0.000	1	118.3560	0.000	1	121.1318	2.869	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	121.4910	0.000	1	121.4910	0.000	1	121.1318	2.869	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	120.7880	0.000	1	120.7880	0.000	1	121.1318	2.869	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	120.5240	0.000	1	120.5240	0.000	1	121.1318	2.869	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCC)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCC)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	121.7111	0.734	8	121.7111	0.539	8	123.5193	7.547	12	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	127.2710	0.527	3	127.2710	0.277	3	123.5193	7.547	12	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	126.7300	0.000	1	126.7300	0.000	1	123.5193	7.547	12	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	121.0380	2.079	57	121.0380	4.322	57	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCC)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	122.9025	1.016	2	122.9025	1.032	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.8830	0.317	3	123.8830	0.100	3	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.4325	0.721	56	122.4325	0.519	56	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	123.5955	0.327	2	123.5955	0.107	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.3452	0.902	8	124.3452	0.814	8	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.9437	0.789	3	126.9437	0.622	3	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.6010	0.379	2	122.6010	0.144	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	121.5350	0.000	1	121.5350	0.000	1	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.1840	0.000	1	123.1840	0.000	1	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]O)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]O)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.0150	0.000	1	126.0150	0.000	1	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.4895	0.590	2	123.4895	0.349	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.0427	0.736	3	125.0427	0.542	3	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNN)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNN)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	125.4005	0.505	4	125.4005	0.255	4	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	126.1550	0.000	1	126.1550	0.000	1	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.9214	0.608	37	126.9214	0.370	37	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	126.8308	0.524	5	126.8308	0.274	5	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.9705	1.358	2	125.9705	1.845	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(COO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	126.9990	1.220	2	126.9990	1.490	2	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.6900	0.624	36	126.6900	0.389	36	123.9405	7.279	228	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:C-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(CCC)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	C(NN[5]H)(CCC)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	121.6938	0.511	4	121.6938	0.261	4	121.6938	0.261	4	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CC[5]O)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CC[5]O)(CNO)(H)	120.9560	0.000	1	120.9560	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]C)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]C)(CNO)(H)	120.7965	0.193	2	120.7965	0.037	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	118.3863	0.754	3	118.3863	0.568	3	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CCO)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CCO)(CNO)(H)	117.7369	0.785	7	117.7369	0.617	7	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	117.7950	0.000	1	117.7950	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CNN)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CNN)(CNO)(H)	121.5333	0.410	20	121.5333	0.168	20	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(CNS)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(CNS)(H)	121.7460	0.000	1	121.7460	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CNO)2(H)	C(NCH)(NHH)(O)	O(CNN)	N(CNO)2(H)	119.4705	2.227	4	119.4705	4.960	4	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CNO)2(H)	C(NCH)(NHN)(O)	O(CNN)	N(CNO)2(H)	125.1113	0.567	3	125.1113	0.321	3	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCC)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCC)(CNO)(H)	117.4145	0.284	2	117.4145	0.080	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCH)(CNO)(H)	123.5310	0.000	1	123.5310	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCO)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCO)(CNO)(H)	118.6556	0.572	21	118.6556	0.327	21	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[5]O)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[5]O)(CNO)(H)	118.3867	0.679	7	118.3867	0.461	7	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[5a]O)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[5a]O)(CNO)(H)	118.6685	0.342	2	118.6685	0.117	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]C)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]C)(CNO)(H)	117.5387	0.284	3	117.5387	0.081	3	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	118.9112	0.797	12	118.9112	0.635	12	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]S)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]S)(CNO)(H)	118.2890	0.000	1	118.2890	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CNO)(CNS)(H)	C(NCH)2(O)	O(CNN)	N(CNO)(CNS)(H)	120.1702	4.822	4	120.1702	23.251	4	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CNO)2(H)	C(NCH)2(O)	O(CNN)	N(CNO)2(H)	121.6328	3.973	8	121.6328	15.788	8	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[5]C)(NCH)(O)	O(CNN)	N(CNO)2(H)	C(NC[5]C)(NCH)(O)	O(CNN)	N(CNO)2(H)	118.5910	0.000	1	118.5910	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[5]H)(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	C(NC[5]H)(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	120.7610	1.382	2	120.7610	1.909	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	121.0075	0.214	4	121.0075	0.046	4	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	118.8495	0.110	2	118.8495	0.012	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]Co)(NCH)(O)	O(CNN)	N(CNO)2(H)	C(NC[6a]Co)(NCH)(O)	O(CNN)	N(CNO)2(H)	116.8610	1.376	2	116.8610	1.893	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCH)(CNO)(H)	120.9080	0.000	1	120.9080	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCO)(CNO)(H)	118.6483	0.531	3	118.6483	0.282	3	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[3x4,3x6]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[3x4,3x6]O)(CNO)(H)	119.1750	0.000	1	119.1750	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]N)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]N)(CNO)(H)	119.0705	0.316	4	119.0705	0.100	4	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]O)(CNO)(H)	119.7842	1.868	17	119.7842	3.489	17	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNN)(CNO)(H)	122.7670	0.000	1	122.7670	0.000	1	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNO)2(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CNO)2(H)	122.6817	1.276	4	122.6817	1.628	4	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NCoH)(NCH)(O)	O(CNN)	N(CNO)2(H)	C(NCoH)(NCH)(O)	O(CNN)	N(CNO)2(H)	117.8260	1.113	2	117.8260	1.239	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(NNiH)(NCH)(O)	O(CNN)	N(CNO)2(H)	C(NNiH)(NCH)(O)	O(CNN)	N(CNO)2(H)	115.9465	0.588	2	115.9465	0.345	2	119.7200	4.852	149	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	121.7970	1.358	6	121.7970	1.845	6	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	116.3600	1.099	2	116.3600	1.207	2	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NCN)(NHN)(O)	O(CNN)	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	O(CNN)	N(CNO)(NCC)(H)	122.4240	0.653	2	122.4240	0.427	2	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	122.0974	1.539	7	122.0974	2.368	7	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NHH)(H)	120.8920	0.317	2	120.8920	0.100	2	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NC[6a]O)(NHN)(O)	O(CNN)	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	O(CNN)	N(CNO)(NHH)(H)	124.3470	0.000	1	124.3470	0.000	1	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	121.5965	0.368	6	121.5965	0.135	6	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	114.0070	0.000	1	114.0070	0.000	1	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(NHS)(O)	O(CNN)	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	O(CNN)	N(CNO)(NCC)(H)	122.3239	2.485	14	122.3239	6.175	14	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)2(O)	O(CNN)	N(CNO)(NCH)(H)	C(NHN)2(O)	O(CNN)	N(CNO)(NCH)(H)	120.3257	1.675	3	120.3257	2.807	3	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)2(O)	O(CNN)	N(CNO)(NHH)(H)	C(NHN)2(O)	O(CNN)	N(CNO)(NHH)(H)	123.6442	1.451	6	123.6442	2.105	6	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)2(O)	O(CNN)	N(CNO)(NOO)(H)	C(NHN)2(O)	O(CNN)	N(CNO)(NOO)(H)	125.3530	0.000	1	125.3530	0.000	1	121.8329	5.906	51	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[4a]-3:C-3:H-1:	C(NC[4a]H)(NCH)(O)	O(CNN)	N(C[4a]C[4a]2)(CNO)(H)	C(NC[4a]H)(NCH)(O)	O(CNN)	N(C[4a]C[4a]2)(CNO)(H)	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]C[5,6a]N[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]C[5,6a]N[5])(CNO)(H)	121.3240	0.000	1	121.3240	0.000	1	121.5687	0.834	11	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	123.1360	0.000	1	123.1360	0.000	1	121.5687	0.834	11	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	119.9070	0.000	1	119.9070	0.000	1	121.5687	0.834	11	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]N[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]N[5])(CNO)(H)	121.8075	0.635	6	121.8075	0.403	6	121.5687	0.834	11	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]N[5]S[5])(CNO)(H)	121.0220	0.320	2	121.0220	0.102	2	121.5687	0.834	11	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NCC)(O)	O(CNN)	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCC)(O)	O(CNN)	N(C[5a]C[5a]S[5a])(CNO)(H)	120.5615	0.231	2	120.5615	0.053	2	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NCH)(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCH)(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)(H)	122.2371	1.111	7	122.2371	1.234	7	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]C[5a]N[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]C[5a]N[5a])(CNO)(H)	122.7617	0.821	9	122.7617	0.675	9	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]C[5a]S[5a])(CNO)(H)	122.6580	0.154	2	122.6580	0.024	2	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]N[5a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]N[5a]2)(CNO)(H)	121.6690	1.679	6	121.6690	2.819	6	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[5a]N[5a]S[5a])(CNO)(H)	121.2020	1.545	7	121.2020	2.387	7	121.9813	1.782	33	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	121.6605	4.448	2	121.6605	19.788	2	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]N[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]N[6]2)(CNO)(H)	122.2370	0.000	1	122.2370	0.000	1	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6]N[6])(CNO)(H)	121.0018	1.149	4	121.0018	1.319	4	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	123.8913	0.942	12	123.8913	0.887	12	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2)(CNO)(H)	123.4751	0.859	47	123.4751	0.739	47	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]N[6])(CNO)(H)	121.7460	0.000	1	121.7460	0.000	1	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]N[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]N[6]2)(CNO)(H)	121.9817	0.027	3	121.9817	0.001	3	123.2469	1.568	70	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	125.2743	0.303	3	125.2743	0.092	3	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.8826	0.864	21	124.8826	0.747	21	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]2)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]2)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.3950	0.000	1	123.3950	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.5739	1.134	18	124.5739	1.285	18	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	124.9040	0.000	1	124.9040	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C[5])(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C[5])(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.9140	0.000	1	123.9140	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	122.2720	0.456	3	122.2720	0.208	3	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.7711	1.367	19	122.7711	1.869	19	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	121.3120	0.089	2	121.3120	0.008	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	122.9480	0.000	1	122.9480	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	123.7880	0.000	1	123.7880	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.5691	1.218	232	123.5691	1.483	232	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	119.7217	2.259	6	119.7217	5.104	6	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	120.9062	1.020	13	120.9062	1.040	13	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	126.0590	0.245	2	126.0590	0.060	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCO)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCO)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	125.0305	0.129	2	125.0305	0.017	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.2650	0.000	1	122.2650	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	126.6505	0.446	2	126.6505	0.199	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.8354	1.182	9	124.8354	1.398	9	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	123.8330	0.799	17	123.8330	0.638	17	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.8712	1.165	52	123.8712	1.356	52	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]O)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]O)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.6370	0.000	1	124.6370	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	122.9260	0.000	1	122.9260	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.2917	0.712	41	122.2917	0.507	41	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	118.1440	0.000	1	118.1440	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	125.0031	0.833	37	125.0031	0.693	37	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHO)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHO)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.5920	0.344	2	123.5920	0.118	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	121.6187	1.194	23	121.6187	1.425	23	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.1110	0.000	1	124.1110	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NRuN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NRuN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	129.4810	0.000	1	129.4810	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	124.4382	1.156	21	124.4382	1.335	21	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	119.2400	0.000	1	119.2400	0.000	1	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	123.3287	1.551	6	123.3287	2.404	6	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	123.6201	0.901	16	123.6201	0.811	16	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.8724	1.000	558	123.8724	1.001	558	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]N[6a])(CNO)(H)	119.2694	1.654	14	119.2694	2.735	14	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	118.7920	0.103	2	118.7920	0.011	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]N[6a]2)(CNO)(H)	120.5350	2.167	2	120.5350	4.694	2	123.6387	2.028	1135	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NC[6a]H)(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NC[6a]H)(CNO)(H)	120.3640	1.148	2	120.3640	1.319	2	121.2586	2.901	14	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)2(O)	O(CNN)	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	O(CNN)	N(NC[6a]H)(CNO)(H)	122.0798	1.499	9	122.0798	2.247	9	121.2586	2.901	14	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(NPdH)(NHN)(O)	O(CNN)	N(NPdC)(CNO)(H)	C(NPdH)(NHN)(O)	O(CNN)	N(NPdC)(CNO)(H)	119.3917	0.382	3	119.3917	0.146	3	121.2586	2.901	14	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(NHH)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHH)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	121.2350	0.000	1	121.2350	0.000	1	123.0600	1.134	5	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(NHS)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHS)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	123.4087	0.341	3	123.4087	0.116	3	123.0600	1.134	5	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)2(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	123.8390	0.000	1	123.8390	0.000	1	123.0600	1.134	5	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(NC[6a]H)(NN[6]H)(O)	O(CNN)	N(N[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	O(CNN)	N(N[6]C[6]2)(CNO)(H)	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	P-3:C-3:H-1:	C(NCC)(NHP)(O)	O(CNN)	N(PC[6a]2)(CNO)(H)	C(NCC)(NHP)(O)	O(CNN)	N(PC[6a]2)(CNO)(H)	120.7870	0.549	2	120.7870	0.301	2	120.7870	0.301	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N-3:P-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(PHH)(O)	O(CNP)	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	O(CNP)	N(COP)(NHH)(H)	123.3780	0.093	2	123.3780	0.009	2	123.3780	0.009	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2)(CN[5]O)(H)	125.6527	1.181	4	125.6527	1.396	4	125.6527	1.396	4	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	121.7410	0.000	1	121.7410	0.000	1	125.2078	4.001	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	126.3267	0.219	6	126.3267	0.048	6	125.2078	4.001	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	124.3079	1.931	8	124.3079	3.730	8	125.2078	4.001	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]N[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	125.7990	0.000	1	125.7990	0.000	1	125.2078	4.001	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]S[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6a]H)(O)	O(CN[5]N)	N(C[6a]C[6a]2)(CN[5]O)(H)	128.5700	0.000	1	128.5700	0.000	1	125.2078	4.001	17	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(N[5a]C[5a]N[5a])(NHN)(O)	O(CN[5a]N)	N(CN[5a]O)(NCH)(H)	C(N[5a]C[5a]N[5a])(NHN)(O)	O(CN[5a]N)	N(CN[5a]O)(NCH)(H)	124.9868	1.167	6	124.9868	1.361	6	124.9868	1.361	6	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	126.8576	1.331	5	126.8576	1.773	5	127.0628	1.217	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	126.6700	0.000	1	126.6700	0.000	1	127.0628	1.217	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a]2)(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]2)(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	126.9770	0.994	2	126.9770	0.988	2	127.0628	1.217	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	O(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]O)(H)	127.8580	1.109	2	127.8580	1.229	2	127.0628	1.217	10	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6,6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	O(CN[6,6]N)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	O(CN[6,6]N)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	125.6050	0.000	1	125.6050	0.000	1	125.4590	0.043	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6,6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	O(CN[6,6]N)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	O(CN[6,6]N)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	125.3130	0.000	1	125.3130	0.000	1	125.4590	0.043	2	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CC[5]O)(CN[6]O)(H)	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CC[5]O)(CN[6]O)(H)	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	122.2169	0.619	14	122.2169	0.383	14	123.7320	3.951	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	125.9966	1.063	8	125.9966	1.131	8	123.7320	3.951	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:1:	N[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	125.2790	0.150	2	125.2790	0.022	2	123.7320	3.951	24	123.1830	3.168	4675	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:C-2:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)2(CC)	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)2(CC)	116.0450	0.453	2	116.0450	0.205	2	116.0450	0.205	2	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(OC)	C(C[6a]C[6a]2)(NCO)(O)	O(CC[6a]N)	N(CC[6a]O)(CCH)(OC)	119.4220	0.000	1	119.4220	0.000	1	119.4220	0.000	1	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:S-2:	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(SN)	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(SN)	120.1200	1.222	2	120.1200	1.493	2	119.7100	1.251	3	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:S-2:	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(SO)	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(SO)	118.8900	0.000	1	118.8900	0.000	1	119.7100	1.251	3	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	121.2478	1.626	5	121.2478	2.645	5	120.9727	1.716	10	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	120.6976	1.013	5	120.6976	1.026	5	120.9727	1.716	10	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	119.7970	0.172	3	119.7970	0.030	3	119.7970	0.030	3	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	N-3:N-3:O-1:	C-3:	C-3:C-3:O-2:	C(NCH)(NCO)(O)	O(CNN)	N(CCO)(CNO)(OC)	C(NCH)(NCO)(O)	O(CNN)	N(CCO)(CNO)(OC)	118.9780	0.280	2	118.9780	0.078	2	119.9310	1.269	4	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:2:	N-3:N-3:O-1:	C-3:	C-3:C-3:O-2:	C(NCO)(NHO)(O)	O(CNN)	N(CNO)2(OC)	C(NCO)(NHO)(O)	O(CNN)	N(CNO)2(OC)	120.8840	0.311	2	120.8840	0.097	2	119.9310	1.269	4	119.9776	2.885	23	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CCC)(CCO)(CHH)	C(CNO)(NCC)(O)	O(CCN)	N(CCC)(CCO)(CHH)	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(COO)(NCN)(O)	O(CCN)	N(CC[6a]O)(CCO)(NCC)	C(COO)(NCN)(O)	O(CCN)	N(CC[6a]O)(CCO)(NCC)	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	120.4965	0.084	2	120.4965	0.007	2	121.2777	1.834	3	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	122.8400	0.000	1	122.8400	0.000	1	121.2777	1.834	3	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]O)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	124.3720	0.000	1	124.3720	0.000	1	124.3720	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[5a]C[5a]O[5a])(NC[5a]C)(O)	O(CC[5a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	C(C[5a]C[5a]O[5a])(NC[5a]C)(O)	O(CC[5a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	121.4300	0.000	1	121.4300	0.000	1	121.2265	0.083	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[5a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[5a]C[5a]S[5a])(NC[5a]C)(O)	O(CC[5a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	C(C[5a]C[5a]S[5a])(NC[5a]C)(O)	O(CC[5a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	121.0230	0.000	1	121.0230	0.000	1	121.2265	0.083	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)2(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)2(CC[5a]O)	118.9710	0.168	2	118.9710	0.028	2	118.9710	0.028	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6]C[6]2)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C(C[6]C[6]2)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)2	119.5505	1.357	4	119.5505	1.841	4	119.7979	0.942	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CC[5]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CC[5]O)	119.4450	0.226	2	119.4450	0.051	2	119.7979	0.942	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CNO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CNO)	120.1370	1.113	2	120.1370	1.239	2	119.7979	0.942	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)3	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)3	119.6370	0.188	2	119.6370	0.035	2	119.7979	0.942	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)3	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)3	121.1370	0.000	1	121.1370	0.000	1	119.7979	0.942	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCO)(NCC)	119.2272	0.631	5	119.2272	0.398	5	119.2272	0.398	5	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:C-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]C)(CCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]C)(CCC)	118.9020	1.230	2	118.9020	1.514	2	118.9020	1.514	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CC[6a]O)	120.9850	0.000	1	120.9850	0.000	1	120.1458	0.491	4	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	120.3280	0.000	1	120.3280	0.000	1	120.1458	0.491	4	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)2	119.6350	0.462	2	119.6350	0.214	2	120.1458	0.491	4	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6,6a]N[6])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6,6a]N[6])(CC[6a]O)2	120.0855	0.161	2	120.0855	0.026	2	120.0114	0.546	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]O)2	119.9671	0.875	8	119.9671	0.766	8	120.0114	0.546	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	120.2170	0.000	1	120.2170	0.000	1	120.0114	0.546	11	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	122.5640	0.000	1	122.5640	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)2	120.0260	0.182	4	120.0260	0.033	4	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	119.9810	0.000	1	119.9810	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	120.3120	0.000	1	120.3120	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	121.7320	0.000	1	121.7320	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	119.8270	0.201	2	119.8270	0.040	2	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	120.1300	3.282	2	120.1300	10.774	2	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	120.9810	0.000	1	120.9810	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	120.8920	0.000	1	120.8920	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	117.9270	0.696	2	117.9270	0.484	2	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	120.5010	0.000	1	120.5010	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	123.8820	0.000	1	123.8820	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	120.1550	0.000	1	120.1550	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	119.2850	0.000	1	119.2850	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	117.6210	0.000	1	117.6210	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)2	119.8305	0.877	15	119.8305	0.769	15	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	120.4705	0.991	4	120.4705	0.982	4	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	119.6505	0.541	2	119.6505	0.293	2	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	120.7300	0.000	1	120.7300	0.000	1	120.0732	1.641	43	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(NC[6a]N)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]N)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	122.0956	0.617	5	122.0956	0.381	5	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.8850	0.000	1	119.8850	0.000	1	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.5225	0.156	2	119.5225	0.024	2	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	121.1070	0.000	1	121.1070	0.000	1	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	121.2539	1.035	9	121.2539	1.071	9	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	121.7450	0.000	1	121.7450	0.000	1	121.2392	1.210	19	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6]-3:N-3:C-3:	C(NC[6]N)(CCH)(O)	O(CCN)	N(C[6]C[6]N[6])(NPdC)(CCO)	C(NC[6]N)(CCH)(O)	O(CCN)	N(C[6]C[6]N[6])(NPdC)(CCO)	118.4197	0.684	4	118.4197	0.468	4	118.4197	0.468	4	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	120.4910	0.000	1	120.4910	0.000	1	121.5273	3.398	7	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	120.5343	0.195	3	120.5343	0.038	3	121.5273	3.398	7	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	120.1720	0.000	1	120.1720	0.000	1	121.5273	3.398	7	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCC)(CCO)	124.2125	0.146	2	124.2125	0.021	2	121.5273	3.398	7	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NCH)	C(NC[6a]N)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NCH)	121.6310	0.000	1	121.6310	0.000	1	121.6310	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	122.3230	0.000	1	122.3230	0.000	1	122.7230	0.320	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCF)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCF)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.1230	0.000	1	123.1230	0.000	1	122.7230	0.320	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	120.7480	0.724	2	120.7480	0.524	2	120.7480	0.524	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:N[6a]-3:C-3:	C(NC[6a]N[6a])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C(NC[6a]N[6a])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	N[5]-3:C-3:C-3:	C(NN[5]C)(CCC)(O)	O(CCN)	N(N[5]C[5]2)(CCO)2	C(NN[5]C)(CCC)(O)	O(CCN)	N(N[5]C[5]2)(CCO)2	120.2465	0.695	8	120.2465	0.482	8	120.2465	0.482	8	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)2(O)	O(CNN)	N(CC[6a]O)2(CNO)	C(NCC)2(O)	O(CNN)	N(CC[6a]O)2(CNO)	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]2)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CCO)(CNO)	C(NC[6a]2)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CCO)(CNO)	121.2920	0.000	1	121.2920	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	119.2690	0.000	1	119.2690	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	122.3970	0.000	1	122.3970	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(NC[6a]C)(NC[6]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	117.9590	0.000	1	117.9590	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	120.4070	2.420	2	120.4070	5.855	2	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CCO)(CNO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CCO)(CNO)	118.4477	0.121	3	118.4477	0.015	3	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	118.6080	0.000	1	118.6080	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(COO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(COO)	119.1115	0.419	2	119.1115	0.176	2	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)2	120.1077	1.600	6	120.1077	2.560	6	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	121.4940	0.000	1	121.4940	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]Pd)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CPdO)(CNO)	C(NC[6a]Pd)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CPdO)(CNO)	119.1330	0.000	1	119.1330	0.000	1	119.7589	2.313	20	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C(NC[6a]2)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	123.7100	0.000	1	123.7100	0.000	1	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	123.4870	0.000	1	123.4870	0.000	1	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	120.1810	0.000	1	120.1810	0.000	1	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C(NC[6a]2)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	120.2820	0.000	1	120.2820	0.000	1	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	121.6680	0.000	1	121.6680	0.000	1	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	120.5480	0.756	56	120.5480	0.571	56	120.6560	0.846	61	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:3:	N[5]-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a]2)(O)	O(CN[5]N)	N(C[6a]C[6a]2)2(CN[5]O)	C(N[5]C[5]2)(NC[6a]2)(O)	O(CN[5]N)	N(C[6a]C[6a]2)2(CN[5]O)	122.0645	0.261	2	122.0645	0.068	2	122.0645	0.068	2	120.4223	1.717	217	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)2(CCHH)	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)2(CCHH)	118.7819	0.507	16	118.7819	0.257	16	118.7819	0.257	16	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[5a]-3:N-3:O-1:	C-3:	C[6]-3:C-3:C-4:	C(C[5a]C[5a]S[5a])(NC[6]C)(O)	O(CC[5a]N)	N(C[6]C[6]2)(CC[5a]O)(CH3)	C(C[5a]C[5a]S[5a])(NC[6]C)(O)	O(CC[5a]N)	N(C[6]C[6]2)(CC[5a]O)(CH3)	121.4740	0.000	1	121.4740	0.000	1	121.4740	0.000	1	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5a]C[5a]N[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	121.0909	0.747	7	121.0909	0.558	7	121.6738	1.760	9	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	123.8310	0.000	1	123.8310	0.000	1	121.6738	1.760	9	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[5a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	O(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	123.5970	0.000	1	123.5970	0.000	1	121.6738	1.760	9	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CCHH)	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CCHH)	120.9800	0.136	2	120.9800	0.018	2	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CC3)	122.8677	0.225	3	122.8677	0.051	3	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CCHH)	121.1140	0.000	1	121.1140	0.000	1	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]C)(CC[6a]O)(CH3)	121.0860	0.266	2	121.0860	0.071	2	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[6a]P)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[6a]P)(CH3)	121.8670	0.000	1	121.8670	0.000	1	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[6a]S)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC[6a]S)(CCCH)	119.6040	0.000	1	119.6040	0.000	1	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)2(CCHH)	120.9027	1.207	4	120.9027	1.456	4	121.3522	1.235	14	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]N[5]S[5])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]N[5]S[5])(CC[6a]O)(CH3)	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	121.8095	0.781	4	121.8095	0.611	4	121.6660	0.383	7	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	121.5800	0.457	2	121.5800	0.209	2	121.6660	0.383	7	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	121.2640	0.000	1	121.2640	0.000	1	121.6660	0.383	7	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.1545	0.050	2	122.1545	0.003	2	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	120.2150	0.000	1	120.2150	0.000	1	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	121.6954	1.081	5	121.6954	1.170	5	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.7286	1.108	76	121.7286	1.228	76	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.1717	1.382	79	121.1717	1.911	79	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	120.8560	1.461	2	120.8560	2.134	2	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	121.3400	0.000	1	121.3400	0.000	1	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	122.4834	0.811	8	122.4834	0.658	8	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	121.7050	1.109	2	121.7050	1.229	2	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.9950	0.000	1	122.9950	0.000	1	121.5043	1.590	177	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:S-4:	C(C[6a]C[6a]2)(NC[6a]S)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(NC[6a]S)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	121.3144	1.900	226	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.2570	0.000	1	123.2570	0.000	1	123.6522	1.401	12	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	124.1830	0.000	1	124.1830	0.000	1	123.6522	1.401	12	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]S[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]S[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.1858	0.963	5	123.1858	0.927	5	123.6522	1.401	12	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]S[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]S[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	124.0914	1.518	5	124.0914	2.303	5	123.6522	1.401	12	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[5]N[5]2)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NH3)(H)	C(C[5]N[5]2)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NH3)(H)	124.5113	0.221	3	124.5113	0.049	3	124.5113	0.049	3	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	122.6220	0.000	1	122.6220	0.000	1	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	121.8096	1.570	7	121.8096	2.466	7	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a,6a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	124.2590	0.276	3	124.2590	0.076	3	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	122.9317	0.977	4	122.9317	0.955	4	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	121.0515	0.551	2	121.0515	0.303	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	122.7930	0.552	3	122.7930	0.304	3	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	121.4060	0.249	2	121.4060	0.062	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	124.6440	0.827	2	124.6440	0.684	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	122.3235	1.727	16	122.3235	2.982	16	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	121.7433	1.068	38	121.7433	1.140	38	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHO)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHO)(H)	120.6320	0.000	1	120.6320	0.000	1	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	122.4650	1.451	4	122.4650	2.105	4	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	122.2282	1.589	5	122.2282	2.524	5	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	122.0355	2.285	2	122.0355	5.220	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(H)	124.4200	0.000	1	124.4200	0.000	1	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)(H)	122.5840	1.947	2	122.5840	3.792	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	122.8955	0.180	2	122.8955	0.033	2	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]N[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	C(C[5a]N[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(H)	122.9583	0.285	3	122.9583	0.081	3	122.2016	1.896	98	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NH3)(H)	C(C[5a]N[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NH3)(H)	125.1390	0.000	1	125.1390	0.000	1	125.1390	0.000	1	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[3,6]C[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]C[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	121.9980	0.000	1	121.9980	0.000	1	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[5,6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[5,6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	123.5060	0.000	1	123.5060	0.000	1	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	122.3510	1.498	2	122.3510	2.243	2	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	123.9290	2.079	3	123.9290	4.323	3	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	122.7223	1.108	43	122.7223	1.227	43	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	122.7090	0.677	10	122.7090	0.458	10	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	124.1036	0.952	5	124.1036	0.906	5	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	123.8727	1.527	12	123.8727	2.332	12	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]N[5,6]C[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]N[5,6]C[6])(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	123.0750	0.000	1	123.0750	0.000	1	123.0283	1.557	78	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC3)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC3)(H)	124.0140	0.554	3	124.0140	0.307	3	122.7504	2.805	13	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCHH)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCHH)(H)	123.7130	0.000	1	123.7130	0.000	1	122.7504	2.805	13	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NH3)(H)	122.2222	1.762	9	122.2222	3.103	9	122.7504	2.805	13	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(NClC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(Cl)	C(C[6a]C[6a]2)(NClC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(Cl)	123.4610	0.000	1	123.4610	0.000	1	123.4610	0.000	1	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	122.8830	0.000	1	122.8830	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	124.4440	0.000	1	124.4440	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	121.6490	0.133	2	121.6490	0.018	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	122.5745	0.527	2	122.5745	0.278	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	125.5405	0.179	2	125.5405	0.032	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	123.7395	0.071	2	123.7395	0.005	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	125.8230	0.000	1	125.8230	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	123.0260	0.000	1	123.0260	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	123.6710	0.000	1	123.6710	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	123.5640	0.188	2	123.5640	0.035	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	121.4450	0.000	1	121.4450	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHP)(H)	123.6570	0.000	1	123.6570	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	123.4013	0.629	3	123.4013	0.395	3	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	122.8634	1.716	51	122.8634	2.946	51	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	122.3983	1.254	168	122.3983	1.571	168	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	122.2668	1.214	340	122.2668	1.475	340	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHN)(H)	120.9000	0.000	1	120.9000	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHP)(H)	122.2990	0.000	1	122.2990	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	121.9659	0.938	35	121.9659	0.879	35	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHP)(H)	123.6290	0.000	1	123.6290	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHS)(H)	122.5920	0.000	1	122.5920	0.000	1	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(H)	125.0898	1.484	5	125.0898	2.201	5	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	123.4493	0.686	19	123.4493	0.470	19	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	124.0618	0.733	130	124.0618	0.538	130	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(H)	123.6589	0.598	12	123.6589	0.358	12	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]O[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	124.4515	0.680	2	124.4515	0.462	2	122.7214	1.876	786	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NBHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NBHH)(H)	120.7310	0.000	1	120.7310	0.000	1	120.8850	0.047	2	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH3)(H)	121.0390	0.000	1	121.0390	0.000	1	120.8850	0.047	2	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(PNNO)(H)	123.1831	1.368	35	123.1831	1.870	35	122.9271	2.643	38	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(PO3)(H)	121.7690	0.000	1	121.7690	0.000	1	122.9271	2.643	38	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(CC[6a]O)(POOS)(H)	119.0255	0.330	2	119.0255	0.109	2	122.9271	2.643	38	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SCOO)(H)	122.1646	0.866	7	122.1646	0.750	7	121.9021	1.194	8	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(CC[6a]O)(SNOO)(H)	120.0650	0.000	1	120.0650	0.000	1	121.9021	1.194	8	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(NSiH)(O)	O(CC[6a]N)	N(CC[6a]O)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(O)	O(CC[6a]N)	N(CC[6a]O)(SiC3)(H)	120.1415	0.279	2	120.1415	0.078	2	120.1415	0.078	2	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5,6a]C[5])(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5,6a]C[5])(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	125.3210	0.000	1	125.3210	0.000	1	124.3732	5.734	6	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CC3)(H)	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CC3)(H)	121.3330	0.000	1	121.3330	0.000	1	124.3732	5.734	6	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	123.7175	2.317	2	123.7175	5.369	2	124.3732	5.734	6	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CH3)(H)	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CH3)(H)	124.2710	0.000	1	124.2710	0.000	1	124.3732	5.734	6	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]S[5])(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]S[5])(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	127.8790	0.000	1	127.8790	0.000	1	124.3732	5.734	6	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5a]C[5a]2)(NCH)(O)	O(CN[5a]N)	N(CN[5a]O)(CH3)(H)	C(N[5a]C[5a]2)(NCH)(O)	O(CN[5a]N)	N(CN[5a]O)(CH3)(H)	124.8150	0.000	1	124.8150	0.000	1	127.3732	2.966	4	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5a]C[5a]N[5a])(NCH)(O)	O(CN[5a]N)	N(CN[5a]O)(CC3)(H)	C(N[5a]C[5a]N[5a])(NCH)(O)	O(CN[5a]N)	N(CN[5a]O)(CC3)(H)	128.2260	0.293	3	128.2260	0.086	3	127.3732	2.966	4	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6,6a]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6,6a]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)(H)	122.1080	0.000	1	122.1080	0.000	1	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CC3)(H)	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CC3)(H)	123.1960	0.000	1	123.1960	0.000	1	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCCH)(H)	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCCH)(H)	123.8850	0.000	1	123.8850	0.000	1	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)(H)	121.6110	0.028	2	121.6110	0.001	2	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CHHN)(H)	C(N[6]C[6]2)(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CHHN)(H)	118.9485	0.163	2	118.9485	0.027	2	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[6]C[6]N[6])(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CH3)(H)	C(N[6]C[6]N[6])(NCH)(O)	O(CN[6]N)	N(CN[6]O)(CH3)(H)	124.6375	0.292	4	124.6375	0.085	4	122.6235	4.775	11	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:1:	N[6]-3:N-3:O-1:	C-3:	C-3:P-4:H-1:	C(N[6]C[6]2)(NHP)(O)	O(CN[6]N)	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	O(CN[6]N)	N(CN[6]O)(PCCS)(H)	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	122.7309	2.084	1064	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:2:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[6]C[5,6]C[6])(NCO)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(OC)	C(C[6]C[5,6]C[6])(NCO)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(OC)	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	120.8961	1.694	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(NC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(NC)	118.9210	0.000	1	118.9210	0.000	1	121.0632	2.023	10	120.8961	1.694	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	120.8482	1.592	5	120.8482	2.533	5	121.0632	2.023	10	120.8961	1.694	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]N[6a])(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]N[6a])(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	121.8675	0.472	4	121.8675	0.223	4	121.0632	2.023	10	120.8961	1.694	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[6a]C[5,6a]C[6a])(NCO)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(OC)	C(C[6a]C[5,6a]C[6a])(NCO)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(OC)	120.3740	0.950	2	120.3740	0.903	2	120.3740	0.903	2	120.8961	1.694	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CCC)(NCC)(O)	O(CCN)	N(CC[6a]C)(CCHH)(CCO)	C(CCC)(NCC)(O)	O(CCN)	N(CC[6a]C)(CCHH)(CCO)	118.3270	0.000	1	118.3270	0.000	1	119.8550	3.314	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CC[5a]C)(NCC)(O)	O(CCN)	N(CC[6a]O)(CC3)(CCO)	C(CC[5a]C)(NCC)(O)	O(CCN)	N(CC[6a]O)(CC3)(CCO)	121.8690	0.000	1	121.8690	0.000	1	119.8550	3.314	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]O)(CH3)(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]O)(CH3)(CCO)	119.3690	0.000	1	119.3690	0.000	1	119.8550	3.314	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]N)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]N)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	124.0730	0.000	1	124.0730	0.000	1	124.1057	0.120	6	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	124.2585	0.288	2	124.2585	0.083	2	124.1057	0.120	6	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	123.5730	0.000	1	123.5730	0.000	1	124.1057	0.120	6	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	124.2355	0.387	2	124.2355	0.150	2	124.1057	0.120	6	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[5]C[5]2)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C(C[5]C[5]2)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	121.0640	0.000	1	121.0640	0.000	1	121.0640	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[5a]C[5a,6a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(CCO)	C(C[5a]C[5a,6a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(CCO)	119.4300	0.000	1	119.4300	0.000	1	121.2386	4.512	5	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[5a]C[5a,6a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(CHH)	C(C[5a]C[5a,6a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)(CHH)	122.2000	0.000	1	122.2000	0.000	1	121.2386	4.512	5	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(CCO)	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(CCO)	119.1480	0.000	1	119.1480	0.000	1	121.2386	4.512	5	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(COO)	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(COO)	124.3150	0.000	1	124.3150	0.000	1	121.2386	4.512	5	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CCO)	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CCO)	121.1000	0.000	1	121.1000	0.000	1	121.2386	4.512	5	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[5a]C[5a]S[5a])(NCN)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(NCH)	C(C[5a]C[5a]S[5a])(NCN)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(NCH)	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6]C[6]2)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C(C[6]C[6]2)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	121.8960	0.419	3	121.8960	0.175	3	121.8960	0.175	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(CCO)	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(CCO)	119.4840	0.000	1	119.4840	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CCH)	120.7650	0.000	1	120.7650	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CNN)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CNN)	120.6920	0.000	1	120.6920	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CNO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CNO)	121.2070	0.000	1	121.2070	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(COO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(COO)	122.2180	0.000	1	122.2180	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CCH)	124.4040	0.000	1	124.4040	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CCO)	120.0070	0.926	4	120.0070	0.858	4	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CNN)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CNN)	118.3780	0.000	1	118.3780	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CNO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CNO)	124.2130	0.000	1	124.2130	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(CCO)	119.2410	0.000	1	119.2410	0.000	1	120.8177	3.495	13	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCC)	120.5010	0.000	1	120.5010	0.000	1	121.3775	0.707	8	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCH)	122.0375	0.716	2	122.0375	0.513	2	121.3775	0.707	8	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCS)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(NCS)	121.6330	0.359	4	121.6330	0.129	4	121.3775	0.707	8	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(NCC)	119.9120	0.000	1	119.9120	0.000	1	121.3775	0.707	8	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[5]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[5]S)(O)	O(CC[6a]N)	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]S)(O)	O(CC[6a]N)	N(C[5]C[5]2)(SC[6a]OO)(CC[6a]O)	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	120.6270	0.000	1	120.6270	0.000	1	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	119.1410	0.000	1	119.1410	0.000	1	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	121.6810	0.069	4	121.6810	0.005	4	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	121.7680	0.000	1	121.7680	0.000	1	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	123.6070	0.281	2	123.6070	0.079	2	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	121.7895	1.586	4	121.7895	2.514	4	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	121.8650	0.840	8	121.8650	0.705	8	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	122.5130	0.000	1	122.5130	0.000	1	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	123.1195	0.340	2	123.1195	0.116	2	121.9293	1.363	24	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(NC[6a]S)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]S)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	121.4818	0.925	4	121.4818	0.855	4	121.4818	0.855	4	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]HH)(CC[6a]O)	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrC)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CBrC)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	123.6130	0.000	1	123.6130	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	121.0240	1.127	2	121.0240	1.270	2	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	119.5050	0.000	1	119.5050	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	120.5750	0.000	1	120.5750	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.0427	1.596	3	121.0427	2.546	3	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	118.9880	2.069	6	118.9880	4.282	6	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	121.5280	0.000	1	121.5280	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.2690	0.000	1	121.2690	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.0279	0.997	7	121.0279	0.995	7	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	120.9583	0.985	3	120.9583	0.971	3	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	119.1745	0.293	2	119.1745	0.086	2	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	124.5780	0.242	4	124.5780	0.059	4	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	123.8175	0.042	2	123.8175	0.002	2	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(COO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	125.9230	0.000	1	125.9230	0.000	1	121.3109	4.837	35	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[5]-4:C-3:	C(NC[6a]C[5])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C(NC[6a]C[5])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.2035	0.063	2	121.2035	0.004	2	121.9950	2.460	4	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.2260	0.000	1	121.2260	0.000	1	121.9950	2.460	4	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CC[6a]O)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CC[6a]O)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	124.3470	0.000	1	124.3470	0.000	1	121.9950	2.460	4	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	As-3:C-4:C-3:	C(NAsC)(NCS)(O)	O(CNN)	N(AsClC)(CH3)(CNO)	C(NAsC)(NCS)(O)	O(CNN)	N(AsClC)(CH3)(CNO)	124.3105	0.408	2	124.3105	0.166	2	124.3105	0.166	2	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]O)(CCCH)(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]O)(CCCH)(CNO)	120.5280	0.000	1	120.5280	0.000	1	120.5940	2.065	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]C)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]C)(CH3)(CNO)	122.0630	0.000	1	122.0630	0.000	1	120.5940	2.065	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[6a]O)(CCHH)(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[6a]O)(CCHH)(CNO)	119.1910	0.000	1	119.1910	0.000	1	120.5940	2.065	3	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(NCH)(O)	O(CNN)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	C(NC[5a]C)(NCH)(O)	O(CNN)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6]Er)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CErNO)(CNO)	C(NC[6]Er)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CErNO)(CNO)	116.4665	0.865	2	116.4665	0.748	2	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6]Yb)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CYbNO)(CNO)	C(NC[6]Yb)(NC[6a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CYbNO)(CNO)	116.8670	0.000	1	116.8670	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	122.0600	0.000	1	122.0600	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	121.1650	0.000	1	121.1650	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	121.3160	0.000	1	121.3160	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6]Y)(O)	O(CNN)	N(C[6a]C[6a]2)(CNOY)(CNO)	C(NC[6a]C)(NC[6]Y)(O)	O(CNN)	N(C[6a]C[6a]2)(CNOY)(CNO)	116.0320	0.120	2	116.0320	0.014	2	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CCCH)(CNO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CCCH)(CNO)	122.1000	0.000	1	122.1000	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	121.9328	0.939	5	121.9328	0.882	5	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]N[6a]2)(CH3)(CNO)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]N[6a]2)(CH3)(CNO)	120.0420	0.000	1	120.0420	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NN[5]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(NN[5]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	123.7550	0.000	1	123.7550	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	121.0210	0.000	1	121.0210	0.000	1	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	121.5212	0.202	5	121.5212	0.041	5	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	121.9146	0.702	45	121.9146	0.493	45	121.4440	2.649	67	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	N[5a]-3:C-4:C-3:	C(NC[6a]H)(NN[5a]C)(O)	O(CNN)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	C(NC[6a]H)(NN[5a]C)(O)	O(CNN)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	P-3:C-4:C-3:	C(NCH)(NCP)(O)	O(CNN)	N(PC[6a]2)(CH3)(CNO)	C(NCH)(NCP)(O)	O(CNN)	N(PC[6a]2)(CH3)(CNO)	120.4470	0.000	1	120.4470	0.000	1	120.4470	0.000	1	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	P-3:N-3:O-1:	C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	N(B[5]O[5]2)(CC3)(COP)	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	N(B[5]O[5]2)(CC3)(COP)	125.0840	0.000	1	125.0840	0.000	1	122.9355	9.232	2	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:3:	P-3:N-3:O-1:	C-3:	B[5]-3:C-4:C-3:	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	N(B[5]O[5]2)(CCHH)(COP)	C(PC[6a]2)(NB[5]C)(O)	O(CNP)	N(B[5]O[5]2)(CCHH)(COP)	120.7870	0.000	1	120.7870	0.000	1	122.9355	9.232	2	121.5171	2.970	191	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[4]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[4]C[4,6]C[4])(NCC)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)2	C(C[4]C[4,6]C[4])(NCC)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)2	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5,6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6])(NCC)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)2	C(C[5,6]C[5,5,6]C[5,6])(NCC)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)2	122.3530	0.330	4	122.3530	0.109	4	122.3530	0.109	4	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(CH3)	C(C[5]C[5]2)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(CH3)	122.1690	0.779	2	122.1690	0.607	2	122.1052	0.565	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(CH3)	C(C[5]C[5]2)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(CH3)	121.5405	0.040	2	121.5405	0.002	2	122.1052	0.565	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]S[5])(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	C(C[5]C[5]S[5])(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	123.1070	0.000	1	123.1070	0.000	1	122.1052	0.565	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a,5a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	C(C[5a]C[5a,5a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	121.5460	0.000	1	121.5460	0.000	1	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a,6a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CH3)	C(C[5a]C[5a,6a]C[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CH3)	122.0027	0.609	3	122.0027	0.371	3	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	121.8310	0.000	1	121.8310	0.000	1	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CH3)	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)(CH3)	121.1740	0.959	2	121.1740	0.919	2	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	121.9678	0.669	5	121.9678	0.448	5	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)2	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCCH)2	124.1240	0.000	1	124.1240	0.000	1	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	C(C[5a]C[5a]O[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	123.0150	0.000	1	123.0150	0.000	1	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]S[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	C(C[5a]C[5a]S[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CCHH)2	121.4820	0.720	2	121.4820	0.518	2	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]S[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	C(C[5a]C[5a]S[5a])(NCC)(O)	O(CC[5a]N)	N(CC[5a]O)(CH3)2	121.0135	0.214	2	121.0135	0.046	2	121.8723	0.785	18	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6,6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6,6]C[3x6]C[6,6])(NCC)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)2	C(C[6,6]C[3x6]C[6,6])(NCC)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)2	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)2	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)2	124.8120	0.915	4	124.8120	0.838	4	122.6603	1.756	40	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	122.3020	1.064	33	122.3020	1.132	33	122.6603	1.756	40	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	C(C[6]C[6]N[6])(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	124.5010	0.000	1	124.5010	0.000	1	122.6603	1.756	40	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]N[6])(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)2	C(C[6]C[6]N[6])(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)2	123.3475	1.631	2	123.3475	2.661	2	122.6603	1.756	40	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	C(C[6a]C[5,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	120.9960	0.000	1	120.9960	0.000	1	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)2	123.0072	0.636	32	123.0072	0.404	32	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	122.8980	0.000	1	122.8980	0.000	1	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	121.7240	0.000	1	121.7240	0.000	1	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	122.5930	0.000	1	122.5930	0.000	1	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CC3)(CH3)	124.0560	0.478	2	124.0560	0.228	2	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CCHH)	123.5560	1.681	2	123.5560	2.827	2	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(CH3)	120.2983	1.310	3	120.2983	1.715	3	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)2	123.0602	1.081	36	123.0602	1.169	36	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(CH3)	122.1157	0.827	9	122.1157	0.684	9	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	122.3928	0.779	17	122.3928	0.607	17	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	122.7939	1.160	34	122.7939	1.345	34	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHS)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CHHS)2	121.3635	1.882	2	121.3635	3.540	2	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeHH)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeHH)2	121.2560	0.000	1	121.2560	0.000	1	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)2	123.1100	0.528	20	123.1100	0.279	20	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)2	122.5235	0.880	4	122.5235	0.774	4	122.7814	1.077	166	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[5]S[5]2)(NCC)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)2	C(N[5]S[5]2)(NCC)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)2	127.4240	0.000	1	127.4240	0.000	1	127.4240	0.000	1	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[5a]C[5a,6a]C[5a])(NCC)(O)	O(CN[5a]N)	N(CN[5a]O)(CH3)2	C(N[5a]C[5a,6a]C[5a])(NCC)(O)	O(CN[5a]N)	N(CN[5a]O)(CH3)2	124.7487	0.337	3	124.7487	0.114	3	125.1868	0.843	4	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[5a]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[5a]C[5a]N[5a])(NCC)(O)	O(CN[5a]N)	N(CN[5a]O)(CCHH)2	C(N[5a]C[5a]N[5a])(NCC)(O)	O(CN[5a]N)	N(CN[5a]O)(CCHH)2	126.5010	0.000	1	126.5010	0.000	1	125.1868	0.843	4	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[6]C[6,6a]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CH3)2	C(N[6]C[6,6a]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CH3)2	121.5700	0.000	1	121.5700	0.000	1	122.1312	0.944	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)2	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)2	121.4835	0.937	2	121.4835	0.878	2	122.1312	0.944	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	3:4:4:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CH3)2	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CH3)2	123.0595	0.151	2	123.0595	0.023	2	122.1312	0.944	5	122.7113	1.374	245	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.0004	1.344	5	122.0004	1.806	5	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	119.7875	0.260	2	119.7875	0.067	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.3875	1.362	4	121.3875	1.855	4	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	122.9517	0.549	3	122.9517	0.302	3	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.1527	0.355	3	123.1527	0.126	3	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	120.3108	2.559	5	120.3108	6.546	5	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.3327	0.839	7	123.3327	0.704	7	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.2717	1.447	18	122.2717	2.093	18	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.1939	1.435	30	122.1939	2.060	30	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	123.5290	0.000	1	123.5290	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.3249	0.664	7	122.3249	0.442	7	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.1071	1.160	14	122.1071	1.346	14	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	O(CCN)	N(CHHN)(CCO)(H)	C(CCH)(NCH)(O)	O(CCN)	N(CHHN)(CCO)(H)	122.2947	0.502	6	122.2947	0.252	6	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.4702	0.677	6	122.4702	0.459	6	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.1564	1.354	19	122.1564	1.834	19	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.7100	0.000	1	123.7100	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.9960	0.554	2	125.9960	0.307	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.3930	1.668	3	123.3930	2.783	3	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCS)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.9280	0.000	1	123.9280	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.2190	0.000	1	122.2190	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCS)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	121.9970	0.000	1	121.9970	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]C)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[5]C)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	121.5530	0.000	1	121.5530	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[5]H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.0660	0.048	2	122.0660	0.002	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]O)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[5]O)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	125.1450	0.000	1	125.1450	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]O)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]O)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.9360	1.045	2	123.9360	1.092	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]O)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[5a]O)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.7800	0.000	1	124.7800	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	121.9685	1.278	4	121.9685	1.634	4	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.8770	0.000	1	122.8770	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	121.9500	0.000	1	121.9500	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.6610	0.000	1	124.6610	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.3840	0.000	1	124.3840	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.4688	0.311	5	124.4688	0.097	5	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	126.2233	0.658	3	126.2233	0.433	3	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.7220	0.000	1	122.7220	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	124.2080	0.728	2	124.2080	0.530	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CHH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.1020	0.000	1	123.1020	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CNN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	126.8695	1.508	2	126.8695	2.275	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CNO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.1071	0.610	9	125.1071	0.372	9	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.8325	1.150	28	124.8325	1.322	28	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CNO)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	125.5683	0.215	4	125.5683	0.046	4	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CNO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.8400	0.000	1	123.8400	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CNO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	125.3482	0.601	29	125.3482	0.361	29	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CNS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CNS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	124.3000	0.130	2	124.3000	0.017	2	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(COO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(COO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	124.7380	0.000	1	124.7380	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CSiC)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CSiC)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.0380	0.000	1	123.0380	0.000	1	123.3375	3.369	243	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(CC[5a]N)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[5a]N)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[5a]O)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5a]O)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.1250	0.891	2	124.1250	0.794	2	124.0592	1.459	5	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]C)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]C)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.2560	0.000	1	122.2560	0.000	1	124.0592	1.459	5	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]O)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]O)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.8950	0.619	2	124.8950	0.384	2	124.0592	1.459	5	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCC)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	121.9410	0.000	1	121.9410	0.000	1	121.6800	1.333	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	123.0380	0.977	2	123.0380	0.955	2	121.6800	1.333	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	120.9260	0.544	6	120.9260	0.296	6	121.6800	1.333	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]C[5])(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	123.2270	0.000	1	123.2270	0.000	1	121.6800	1.333	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[5]C[5]2)(NC[3x6]H)(O)	O(CC[5]N)	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C(C[5]C[5]2)(NC[3x6]H)(O)	O(CC[5]N)	N(C[3x6]C[6,6]3)(CC[5]O)(H)	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[5]C[5]N[5])(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2Fe)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2Fe)(CC[5]O)(H)	123.3480	0.000	1	123.3480	0.000	1	123.3480	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5,6]C[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	123.9103	1.040	3	123.9103	1.081	3	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	123.5810	0.000	1	123.5810	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]CH)(CC[5a]O)(H)	123.3667	1.044	4	123.3667	1.091	4	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]C[6]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]C[6]H)(CC[5a]O)(H)	123.9420	0.000	1	123.9420	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	122.3840	1.278	3	122.3840	1.634	3	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]CH)(CC[5a]O)(H)	123.3917	0.701	27	123.3917	0.491	27	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]HH)(CC[5a]O)(H)	122.3207	0.343	3	122.3207	0.118	3	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6]HH)(CC[5a]O)(H)	123.0960	0.522	2	123.0960	0.272	2	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	124.0290	0.000	1	124.0290	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	122.8277	0.564	10	122.8277	0.318	10	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	125.3320	0.000	1	125.3320	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)	122.3515	2.121	2	122.3515	4.497	2	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CC)(CC[5a]O)(H)	121.1060	0.000	1	121.1060	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	122.8608	1.263	15	122.8608	1.594	15	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	122.7698	1.511	4	122.7698	2.284	4	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CC)(CC[5a]O)(H)	126.3582	1.083	4	126.3582	1.172	4	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(H)	125.6500	0.000	1	125.6500	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	125.1010	0.000	1	125.1010	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5a]N[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]S[5a])(NCH)(O)	O(CC[5a]N)	N(CC[6a]HH)(CC[5a]O)(H)	125.5780	0.000	1	125.5780	0.000	1	123.3389	1.644	85	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	O(CC[5a]N)	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	O(CC[5a]N)	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]O)(H)	122.8575	0.937	4	122.8575	0.879	4	122.1971	0.962	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	O(CC[5a]N)	N(C[6]C[6]2H)(CC[5a]O)(H)	121.7568	0.789	6	121.7568	0.622	6	122.1971	0.962	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[5a]-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(C[5a]C[5a]O[5a])(NHS)(O)	O(CC[5a]N)	N(SC[6a]OO)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NHS)(O)	O(CC[5a]N)	N(SC[6a]OO)(CC[5a]O)(H)	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	122.4220	0.929	2	122.4220	0.863	2	122.3634	1.996	21	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	123.3394	0.762	9	123.3394	0.581	9	122.3634	1.996	21	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	122.2200	0.000	1	122.2200	0.000	1	122.3634	1.996	21	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]O[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]O[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	124.4060	0.000	1	124.4060	0.000	1	122.3634	1.996	21	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]S[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]S[6])(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	121.0132	1.004	8	121.0132	1.008	8	122.3634	1.996	21	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6]C[6]2)(NC[3x6]H)(O)	O(CC[6]N)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6]2)(NC[3x6]H)(O)	O(CC[6]N)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	124.8550	1.089	4	124.8550	1.186	4	124.8550	1.186	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]2)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	122.9800	0.000	1	122.9800	0.000	1	122.9800	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[5,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]3)(CC[6a]O)(H)	125.1330	1.028	4	125.1330	1.057	4	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	124.0900	0.556	2	124.0900	0.309	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	122.4970	0.000	1	122.4970	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	122.5990	0.000	1	122.5990	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(H)	124.9140	0.000	1	124.9140	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	121.4670	0.000	1	121.4670	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	122.9110	0.000	1	122.9110	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[4]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[4]HH)(CC[6a]O)(H)	120.4985	1.517	2	120.4985	2.301	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]CH)(CC[6a]O)(H)	121.8465	1.655	6	121.8465	2.740	6	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	121.9405	0.824	14	121.9405	0.678	14	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]CH)(CC[6a]O)(H)	122.2722	0.704	8	122.2722	0.496	8	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	122.3825	0.042	2	122.3825	0.002	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]O)(H)	122.1904	1.175	20	122.1904	1.382	20	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6,6]HH)(CC[6a]O)(H)	122.6570	0.000	1	122.6570	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]2H)(CC[6a]O)(H)	121.7680	0.000	1	121.7680	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]CH)(CC[6a]O)(H)	122.4855	1.265	2	122.4855	1.600	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	121.4181	0.858	8	121.4181	0.736	8	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2C)(CC[6a]O)(H)	123.5000	0.781	3	123.5000	0.611	3	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2H)(CC[6a]O)(H)	122.3560	0.000	1	122.3560	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]3)(CC[6a]O)(H)	123.2308	1.659	11	123.2308	2.752	11	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(H)	122.7545	1.276	8	122.7545	1.629	8	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	122.5337	0.918	106	122.5337	0.843	106	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]C[3]H)(CC[6a]O)(H)	123.2950	0.000	1	123.2950	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	122.3650	1.083	103	122.3650	1.173	103	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(H)	121.8860	0.000	1	121.8860	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HP)(CC[6a]O)(H)	122.4308	0.716	5	122.4308	0.512	5	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]HS)(CC[6a]O)(H)	123.2800	0.000	1	123.2800	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CN[5]HH)(CC[6a]O)(H)	122.4620	0.000	1	122.4620	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CN[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CN[6]HH)(CC[6a]O)(H)	121.9440	0.277	2	121.9440	0.077	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[3x6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[3x6]HH)(CC[6a]O)(H)	124.1345	0.479	4	124.1345	0.229	4	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[5]CH)(CC[6a]O)(H)	124.2297	0.661	4	124.2297	0.437	4	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[5]HH)(CC[6a]O)(H)	123.7533	1.434	3	123.7533	2.056	3	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	123.1730	0.000	1	123.1730	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6,6]HH)(CC[6a]O)(H)	123.9350	0.573	2	123.9350	0.328	2	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(H)	124.1000	0.833	4	124.1000	0.693	4	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	123.8866	0.977	11	123.8866	0.954	11	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(H)	123.6413	0.834	72	123.6413	0.696	72	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(H)	124.3650	0.000	1	124.3650	0.000	1	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]O[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	125.0793	0.936	4	125.0793	0.876	4	122.7858	1.463	424	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3]H)(O)	O(CC[6a]N)	N(C[3]C[3]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	O(CC[6a]N)	N(C[3]C[3]2C)(CC[6a]O)(H)	120.6270	0.537	2	120.6270	0.289	2	121.1365	0.472	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3]H)(O)	O(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	O(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]O)(H)	121.6460	0.300	2	121.6460	0.090	2	121.1365	0.472	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	123.1110	0.000	1	123.1110	0.000	1	124.0122	2.734	19	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	123.1859	2.042	8	123.1859	4.169	8	124.0122	2.734	19	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	O(CC[6a]N)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	124.7633	0.949	10	124.7633	0.901	10	124.0122	2.734	19	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[4]H)(O)	O(CC[6a]N)	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	O(CC[6a]N)	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	121.9320	0.000	1	121.9320	0.000	1	122.1130	0.066	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[4]H)(O)	O(CC[6a]N)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	O(CC[6a]N)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	122.2940	0.000	1	122.2940	0.000	1	122.1130	0.066	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	121.0884	0.427	5	121.0884	0.183	5	122.1241	3.135	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	121.1745	1.771	2	121.1745	3.138	2	122.1241	3.135	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	O(CC[6a]N)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	124.4833	0.493	3	124.4833	0.243	3	122.1241	3.135	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	121.5250	0.915	2	121.5250	0.837	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	120.7397	1.103	3	120.7397	1.216	3	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	121.3535	0.095	2	121.3535	0.009	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	121.8250	0.000	1	121.8250	0.000	1	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2C)(CC[6a]O)(H)	122.2445	1.908	19	122.2445	3.641	19	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	123.0700	0.668	8	123.0700	0.446	8	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2H)(CC[6a]O)(H)	121.8857	0.846	9	121.8857	0.716	9	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2O)(CC[6a]O)(H)	118.9600	0.000	1	118.9600	0.000	1	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	121.2295	0.384	2	121.2295	0.147	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	121.4295	0.534	2	121.4295	0.285	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	124.6345	0.811	2	124.6345	0.658	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	O(CC[6a]N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	122.6320	0.311	2	122.6320	0.097	2	122.1281	2.312	53	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6,6]H)(O)	O(CC[6a]N)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	O(CC[6a]N)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	121.7390	0.000	1	121.7390	0.000	1	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	123.0830	0.000	1	123.0830	0.000	1	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	122.1775	0.361	2	122.1775	0.131	2	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	122.7080	0.000	1	122.7080	0.000	1	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	122.4810	0.000	1	122.4810	0.000	1	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	122.2947	0.936	19	122.2947	0.877	19	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2Cr)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2Cr)(CC[6a]O)(H)	121.8550	0.000	1	121.8550	0.000	1	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	122.6854	0.917	52	122.6854	0.840	52	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	121.4750	1.036	3	121.4750	1.074	3	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2C)(CC[6a]O)(H)	125.1958	0.688	4	125.1958	0.474	4	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(H)	124.0756	0.638	5	124.0756	0.407	5	122.7227	1.217	90	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(PC[6a]2O)(CC[6a]O)(H)	121.0520	0.000	1	121.0520	0.000	1	122.3860	4.580	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	O(CC[6a]N)	N(PN[6]2O)(CC[6a]O)(H)	122.8307	2.384	3	122.8307	5.684	3	122.3860	4.580	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NP[6]H)(O)	O(CC[6a]N)	N(P[6]N[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NP[6]H)(O)	O(CC[6a]N)	N(P[6]N[6]2O)(CC[6a]O)(H)	123.8560	0.000	1	123.8560	0.000	1	123.8560	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)(H)	120.8266	0.901	56	120.8266	0.811	56	120.8266	0.811	56	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCC)(O)	O(CCN)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCC)(O)	O(CCN)	N(C[5]C[5]N[5]H)(CCO)(H)	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCC)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCC)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	121.5860	0.028	2	121.5860	0.001	2	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.6740	0.732	9	122.6740	0.536	9	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	120.2360	0.000	1	120.2360	0.000	1	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	121.7880	0.000	1	121.7880	0.000	1	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CNO)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	127.2730	0.000	1	127.2730	0.000	1	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(COO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(COO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	125.9550	0.000	1	125.9550	0.000	1	122.8327	3.209	15	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	123.5050	3.158	2	123.5050	9.973	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	120.5380	0.775	2	120.5380	0.601	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	123.2370	0.000	1	123.2370	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	121.0130	0.000	1	121.0130	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	120.6960	0.000	1	120.6960	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCN)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NCN)(O)	O(CNN)	N(CCCH)(CNO)(H)	122.8268	0.790	4	122.8268	0.624	4	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(H)	124.8880	0.000	1	124.8880	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCO)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NCO)(O)	O(CNN)	N(CCCH)(CNO)(H)	123.3250	0.000	1	123.3250	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCO)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NCO)(O)	O(CNN)	N(CCHH)(CNO)(H)	126.5910	0.328	2	126.5910	0.108	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCO)(O)	O(CNN)	N(CSiCH)(CNO)(H)	C(NCH)(NCO)(O)	O(CNN)	N(CSiCH)(CNO)(H)	126.3615	0.811	2	126.3615	0.658	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NCP)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCH)(NCP)(O)	O(CNN)	N(CH3)(CNO)(H)	122.0760	0.000	1	122.0760	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CCCH)(CNO)(H)	121.2410	0.903	5	121.2410	0.816	5	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CCHH)(CNO)(H)	121.2741	0.480	19	121.2741	0.230	19	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	121.6020	0.000	1	121.6020	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	123.5440	0.000	1	123.5440	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]N[5]H)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]N[5]H)(CNO)(H)	121.2910	0.000	1	121.2910	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]N[6]H)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CC[6a]N[6]H)(CNO)(H)	121.9155	0.479	2	121.9155	0.229	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CH3)(CNO)(H)	120.0057	0.480	17	120.0057	0.230	17	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CC3)(CNO)(H)	125.2650	0.000	1	125.2650	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CCHH)(CNO)(H)	123.5470	0.284	2	123.5470	0.081	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	124.6087	1.615	3	124.6087	2.608	3	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.5860	0.000	1	122.5860	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	124.0535	0.507	2	124.0535	0.257	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CH3)(CNO)(H)	123.5600	0.000	1	123.5600	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHS)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCH)(NHS)(O)	O(CNN)	N(CC3)(CNO)(H)	125.6223	0.635	4	125.6223	0.403	4	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHS)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NHS)(O)	O(CNN)	N(CCHH)(CNO)(H)	124.5852	1.097	39	124.5852	1.203	39	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC3)(CNO)(H)	124.3610	2.029	9	124.3610	4.116	9	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCCH)(CNO)(H)	123.1495	1.517	35	123.1495	2.301	35	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCHH)(CNO)(H)	122.7540	1.326	102	122.7540	1.759	102	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCHN)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCHN)(CNO)(H)	121.6350	0.000	1	121.6350	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCHO)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCHO)(CNO)(H)	119.8040	0.103	2	119.8040	0.011	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[5]CH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[5]CH)(CNO)(H)	123.0190	1.850	2	123.0190	3.422	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	122.1607	0.522	3	122.1607	0.272	3	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	122.3459	0.799	18	122.3459	0.638	18	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]2H)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]2H)(CNO)(H)	123.0240	0.000	1	123.0240	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	122.2883	0.771	21	122.2883	0.595	21	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	122.0270	0.901	36	122.0270	0.811	36	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]HN)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]HN)(CNO)(H)	123.4870	0.000	1	123.4870	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CH3)(CNO)(H)	122.1675	1.075	18	122.1675	1.155	18	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CHHN)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CHHN)(CNO)(H)	119.5610	0.477	3	119.5610	0.227	3	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CN[5]CH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CN[5]CH)(CNO)(H)	120.5940	0.000	1	120.5940	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	122.3808	1.018	4	122.3808	1.037	4	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	121.8750	0.192	2	121.8750	0.037	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[4a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[4a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	125.0360	0.000	1	125.0360	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[5]C)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NC[5]C)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	120.8640	0.000	1	120.8640	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[5]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NC[5]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	126.2040	0.000	1	126.2040	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[5a]C)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	C(NC[5a]C)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	123.0690	0.000	1	123.0690	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	124.3265	0.189	2	124.3265	0.036	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	125.5260	0.000	1	125.5260	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6,6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.2422	0.763	6	122.2422	0.581	6	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	123.5850	0.000	1	123.5850	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	123.8677	0.214	3	123.8677	0.046	3	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	123.5650	0.000	1	123.5650	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]2)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NC[6a]2)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	124.2000	0.000	1	124.2000	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]C)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[6a]C)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	121.7470	0.000	1	121.7470	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	124.2720	0.768	2	124.2720	0.590	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	123.2258	1.043	12	123.2258	1.088	12	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	123.1075	0.836	158	123.1075	0.700	158	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	123.6500	0.798	7	123.6500	0.637	7	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	123.0628	0.834	13	123.0628	0.696	13	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	125.0919	0.601	7	125.0919	0.361	7	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	123.8025	1.203	2	123.8025	1.447	2	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	122.8785	0.614	8	122.8785	0.376	8	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	122.3780	0.536	6	122.3780	0.287	6	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CHHS)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CHHS)(CNO)(H)	123.0673	0.333	4	123.0673	0.111	4	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]Ni)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NC[6a]Ni)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	119.5440	0.000	1	119.5440	0.000	1	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCoC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	120.8577	0.823	3	120.8577	0.677	3	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NNiC)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NNiC)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	120.6423	0.918	4	120.6423	0.843	4	122.8526	2.117	623	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(C[3x6]C[6,6]3)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	O(CNN)	N(C[3x6]C[6,6]3)(CNO)(H)	123.5392	1.223	6	123.5392	1.495	6	123.5392	1.495	6	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5,5,6]-4:C-3:H-1:	C(NC[5,5,6]H)2(O)	O(CNN)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	O(CNN)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	123.7220	0.000	1	123.7220	0.000	1	123.7220	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(NCC)(O)	O(CNN)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	C(NC[5,6]H)(NCC)(O)	O(CNN)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(H)	C(NC[5]H)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(H)	119.7530	0.000	1	119.7530	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]C[5,6a]C[5]H)(CNO)(H)	C(NC[5]H)(NCH)(O)	O(CNN)	N(C[5]C[5,6a]C[5]H)(CNO)(H)	124.1820	0.000	1	124.1820	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]C[5,5]O[5]C)(CNO)(H)	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]C[5,5]O[5]C)(CNO)(H)	118.8820	0.000	1	118.8820	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]C[5]2H)(CNO)(H)	C(NC[5]H)(NHH)(O)	O(CNN)	N(C[5]C[5]2H)(CNO)(H)	122.9100	0.000	1	122.9100	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	122.2160	0.000	1	122.2160	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]2Fe)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]2Fe)(CNO)(H)	123.1100	0.000	1	123.1100	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]2H)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	O(CNN)	N(C[5]C[5]2H)(CNO)(H)	122.6040	0.000	1	122.6040	0.000	1	121.9510	3.664	7	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(NCH)(O)	O(CNN)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	O(CNN)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	122.8568	0.746	5	122.8568	0.557	5	122.8568	0.557	5	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	125.2583	0.840	16	125.2583	0.706	16	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	123.8615	0.094	2	123.8615	0.009	2	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2Cr)(CNO)(H)	122.0190	0.000	1	122.0190	0.000	1	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	122.8058	0.800	4	122.8058	0.639	4	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	120.6170	0.000	1	120.6170	0.000	1	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6]O[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	O(CNN)	N(C[6]C[6]O[6]H)(CNO)(H)	121.3480	0.000	1	121.3480	0.000	1	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NHS)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NHS)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	125.0343	0.829	4	125.0343	0.688	4	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	122.2063	0.695	3	122.2063	0.482	3	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6a]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	125.5450	0.000	1	125.5450	0.000	1	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[5,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[5,6]C[6]H)(CNO)(H)	123.4170	0.000	2	123.4170	0.000	2	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6,6]C[6]H)(CNO)(H)	123.6630	0.000	2	123.6630	0.000	2	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2Cr)(CNO)(H)	123.7700	0.000	1	123.7700	0.000	1	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)(H)	123.9530	0.841	13	123.9530	0.708	13	124.0918	1.888	51	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	N-4:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NH3)(CNO)(H)	119.2720	0.000	1	119.2720	0.000	1	122.2126	4.514	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	N-4:C-3:H-1:	C(NHN)2(O)	O(CNN)	N(NH3)(CNO)(H)	C(NHN)2(O)	O(CNN)	N(NH3)(CNO)(H)	122.5393	1.969	9	122.5393	3.877	9	122.2126	4.514	10	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NCH)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	120.6466	1.565	41	120.6466	2.450	41	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	120.3995	1.520	4	120.3995	2.310	4	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SCOO)(CNO)(H)	122.6570	0.000	1	122.6570	0.000	1	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[5a]OO)(CNO)(H)	122.5482	0.167	4	122.5482	0.028	4	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	123.3155	0.619	16	123.3155	0.384	16	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SNOO)(CNO)(H)	123.5480	0.000	1	123.5480	0.000	1	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NHN)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NHN)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	121.8872	1.245	14	121.8872	1.551	14	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NN[5]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	121.9757	0.469	3	121.9757	0.220	3	121.5464	2.787	84	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:P-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(PHH)(O)	O(CNP)	N(CCHH)(COP)(H)	C(NCH)(PHH)(O)	O(CNP)	N(CCHH)(COP)(H)	123.0610	0.000	1	123.0610	0.000	1	123.7190	0.866	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:P-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(PHH)(O)	O(CNP)	N(CC[5]HH)(COP)(H)	C(NCH)(PHH)(O)	O(CNP)	N(CC[5]HH)(COP)(H)	124.3770	0.000	1	124.3770	0.000	1	123.7190	0.866	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N-3:P-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(PHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[3]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(N[3]C[3]2)(NCH)(O)	O(CN[3]N)	N(CC[6a]CH)(CN[3]O)(H)	C(N[3]C[3]2)(NCH)(O)	O(CN[3]N)	N(CC[6a]CH)(CN[3]O)(H)	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(N[5]C[5,5]C[5])(NCH)(O)	O(CN[5]N)	N(CC[6a]HH)(CN[5]O)(H)	C(N[5]C[5,5]C[5])(NCH)(O)	O(CN[5]N)	N(CC[6a]HH)(CN[5]O)(H)	123.6355	0.517	2	123.6355	0.267	2	123.6355	0.267	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	125.2270	0.000	1	125.2270	0.000	1	126.1495	1.702	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]S[5])(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	127.0720	0.000	1	127.0720	0.000	1	126.1495	1.702	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(N[5]C[5]2)(NHS)(O)	O(CN[5]N)	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	O(CN[5]N)	N(SC[6a]OO)(CN[5]O)(H)	123.5287	1.876	3	123.5287	3.518	3	123.6068	2.370	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(N[5]C[5]2)(NHS)(O)	O(CN[5]N)	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	O(CN[5]N)	N(SN[5]OO)(CN[5]O)(H)	123.8410	0.000	1	123.8410	0.000	1	123.6068	2.370	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[5a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(NCH)(O)	O(CN[5a]N)	N(CC[6a]HH)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NCH)(O)	O(CN[5a]N)	N(CC[6a]HH)(CN[5a]O)(H)	124.0090	0.000	1	124.0090	0.000	1	124.0090	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[6,6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	O(CN[6,6]N)	N(CC[6a]CH)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	O(CN[6,6]N)	N(CC[6a]CH)(CN[6,6]O)(H)	124.9130	0.216	2	124.9130	0.047	2	124.9130	0.047	2	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	N[6]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(N[6]C[6]N[6])(NCH)(O)	O(CN[6]N)	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	O(CN[6]N)	N(CC[6a]CH)(CN[6]O)(H)	125.6167	0.696	4	125.6167	0.485	4	125.6167	0.485	4	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	P-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(PC[6a]2)(NCH)(O)	O(CNP)	N(CCHH)(COP)(H)	C(PC[6a]2)(NCH)(O)	O(CNP)	N(CCHH)(COP)(H)	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	P-3:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(PC[6a]2)(NC[5]H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	C(PC[6a]2)(NC[5]H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:1:	P-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(PC[6a]2)(NC[6]H)(O)	O(CNP)	N(C[6]C[6]2H)(COP)(H)	C(PC[6a]2)(NC[6]H)(O)	O(CNP)	N(C[6]C[6]2H)(COP)(H)	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.8142	2.420	1876	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	C-3:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(CCH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NO)	C(CCH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NO)	116.7300	0.000	1	116.7300	0.000	1	116.7300	0.000	1	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(NCO)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(NCO)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(OH)	120.3080	0.765	2	120.3080	0.585	2	120.3080	0.585	2	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C(C[6a]C[6a]2)(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	119.9710	0.188	2	119.9710	0.035	2	119.9710	0.035	2	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	S-4:C-3:N-2:	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	O(CC[6a]N)	N(SC[6]OO)(CC[6a]O)(NH)	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NC)	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NC)	120.5940	0.000	1	120.5940	0.000	1	119.5680	0.939	3	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(NC[6a]H)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(NO)	C(NC[6a]H)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(NO)	119.0550	0.547	2	119.0550	0.300	2	119.5680	0.939	3	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(NCH)(NCO)(O)	O(CNN)	N(CH3)(CNO)(OC)	C(NCH)(NCO)(O)	O(CNN)	N(CH3)(CNO)(OC)	117.4930	0.699	3	117.4930	0.488	3	117.8915	0.961	4	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(NCO)(NHH)(O)	O(CNN)	N(CC[5a]CH)(CNO)(OH)	C(NCO)(NHH)(O)	O(CNN)	N(CC[5a]CH)(CNO)(OH)	119.0870	0.000	1	119.0870	0.000	1	117.8915	0.961	4	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(OH)	C(NC[5]O)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(OH)	119.2560	0.000	1	119.2560	0.000	1	119.2560	0.000	1	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:O-2:	C(NC[6a]H)(NC[6]O)(O)	O(CNN)	N(C[6]C[6]2C)(CNO)(OH)	C(NC[6a]H)(NC[6]O)(O)	O(CNN)	N(C[6]C[6]2C)(CNO)(OH)	119.5570	0.148	2	119.5570	0.022	2	119.5570	0.022	2	119.2351	1.972	16	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	120.4225	0.054	2	120.4225	0.003	2	122.4908	3.589	5	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CCHH)(CCC)(CCO)	C(CNO)(NCC)(O)	O(CCN)	N(CCHH)(CCC)(CCO)	123.6220	0.000	1	123.6220	0.000	1	122.4908	3.589	5	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CNO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	123.9900	0.000	1	123.9900	0.000	1	122.4908	3.589	5	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CH3)(CCC)(CCO)	C(CNO)(NCC)(O)	O(CCN)	N(CH3)(CCC)(CCO)	123.9970	0.000	1	123.9970	0.000	1	122.4908	3.589	5	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[3]HH)(CC[5a]O)(COO)	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[3]HH)(CC[5a]O)(COO)	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a,6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)2	120.9940	0.000	1	120.9940	0.000	1	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a,6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)2	120.7510	0.322	5	120.7510	0.104	5	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)2	120.9294	1.039	5	120.9294	1.080	5	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)2	119.4026	0.690	5	119.4026	0.476	5	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CC)(CC[6a]O)(CCO)	121.9450	0.000	1	121.9450	0.000	1	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CC[6a]S)	120.6530	0.000	1	120.6530	0.000	1	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCC)	121.7905	1.507	2	121.7905	2.271	2	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCH)	123.1590	0.000	1	123.1590	0.000	1	120.7499	1.381	21	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(NCC)	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	120.4370	0.000	1	120.4370	0.000	1	121.9806	1.132	17	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	121.5010	0.632	5	121.5010	0.400	5	121.9806	1.132	17	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	122.2257	1.103	9	122.2257	1.217	9	121.9806	1.132	17	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	122.8490	1.089	2	122.8490	1.186	2	121.9806	1.132	17	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:C-3:O-1:	C-3:	C[3x6]-4:B-3:C-3:	C(NC[3x6]B)(CC[6a]C)(O)	O(CCN)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C(NC[3x6]B)(CC[6a]C)(O)	O(CCN)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	126.5160	0.000	1	126.5160	0.000	1	126.5160	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:C-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)2	C(NC[6]C)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)2	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:C-3:O-1:	C-3:	C[6]-4:C[6a]-3:C-3:	C(NC[6a]C[6])(CCH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C[6])(CCH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:C[6a]-3:O-1:	C-3:	C[4,4]-4:C[6a]-3:C-3:	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	121.1690	0.386	2	121.1690	0.149	2	121.1690	0.149	2	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)2	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)2	122.4210	0.000	1	122.4210	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6]C)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	C(NC[6]C)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	122.8690	1.010	2	122.8690	1.020	2	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6]H)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	C(NC[6]H)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	120.0260	0.021	2	120.0260	0.000	2	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]2)(NCC)(O)	O(CNN)	N(CH3)(CNN)(CNO)	C(NC[6a]2)(NCC)(O)	O(CNN)	N(CH3)(CNN)(CNO)	119.4950	0.000	1	119.4950	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	121.9930	0.000	1	121.9930	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCCH)(CCH)(CNO)	123.0120	0.000	1	123.0120	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[6]HH)(CCO)(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[6]HH)(CCO)(CNO)	119.1817	0.285	4	119.1817	0.081	4	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CH3)(CNO)2	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CH3)(CNO)2	119.6450	0.000	1	119.6450	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NCoC)(NCC)(O)	O(CNN)	N(CH3)(CNO)2	C(NCoC)(NCC)(O)	O(CNN)	N(CH3)(CNO)2	117.0330	0.868	2	117.0330	0.754	2	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NPdC)(NCC)(O)	O(CNN)	N(CC[6a]HH)(CPdO)(CNO)	C(NPdC)(NCC)(O)	O(CNN)	N(CC[6a]HH)(CPdO)(CNO)	118.8880	0.000	1	118.8880	0.000	1	120.1273	3.935	16	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NCH)	120.3690	0.491	2	120.3690	0.241	2	120.8643	2.055	6	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(NHH)(O)	O(CNN)	N(CH3)(CNO)(NCC)	C(NCN)(NHH)(O)	O(CNN)	N(CH3)(CNO)(NCC)	119.3080	0.000	1	119.3080	0.000	1	120.8643	2.055	6	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(NHH)(O)	O(CNN)	N(CH3)(CNO)(NCH)	C(NCN)(NHH)(O)	O(CNN)	N(CH3)(CNO)(NCH)	119.9060	0.000	1	119.9060	0.000	1	120.8643	2.055	6	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCN)(NHN)(O)	O(CNN)	N(CCCH)(CNO)(NCH)	C(NCN)(NHN)(O)	O(CNN)	N(CCCH)(CNO)(NCH)	122.6170	0.246	2	122.6170	0.061	2	120.8643	2.055	6	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:C-3:	C(NC[5]C)(NCH)(O)	O(CNN)	N(C[5]C[5]O[5]H)(CCH)(CNO)	C(NC[5]C)(NCH)(O)	O(CNN)	N(C[5]C[5]O[5]H)(CCH)(CNO)	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[5]-4:C[6a]-3:C-3:	C(NC[6a]C[5])(NC[6a]H)(O)	O(CNN)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	C(NC[6a]C[5])(NC[6a]H)(O)	O(CNN)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(NC[6]C)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	120.2310	0.000	1	120.2310	0.000	1	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)2	C(NC[6]C)(NCC)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)2	122.1830	0.000	1	122.1830	0.000	1	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CCO)(CNO)	120.8295	0.569	4	120.8295	0.324	4	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6]O)(CNO)	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6]O)(CNO)	121.5620	0.000	1	121.5620	0.000	1	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	120.5524	0.666	10	120.5524	0.444	10	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)2	C(NC[6]C)(NC[6]H)(O)	O(CNN)	N(C[6]C[6]2H)(CNO)2	120.7310	0.000	1	120.7310	0.000	1	120.7527	0.492	18	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:3:	N[6]-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CC[6a]HH)(CN[6]O)(CCO)	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CC[6a]HH)(CN[6]O)(CCO)	120.2940	0.970	2	120.2940	0.941	2	120.2940	0.941	2	121.0900	2.571	94	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[6a]3)(CC[5a]O)(CCHH)	C(C[5a]C[5a]2)(NCC)(O)	O(CC[5a]N)	N(CC[6a]3)(CC[5a]O)(CCHH)	122.1100	0.000	1	122.1100	0.000	1	120.7533	1.389	3	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[5a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(NCC)(O)	O(CC[5a]N)	N(CC[6a]CH)(CC[5a]O)(CH3)	120.0750	0.134	2	120.0750	0.018	2	120.7533	1.389	3	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[5a]-3:N-3:O-1:	C-3:	S-4:C-3:C-4:	C(C[5a]C[5a]2)(NCS)(O)	O(CC[5a]N)	N(SC[6a]OO)(CC[5a]O)(CH3)	C(C[5a]C[5a]2)(NCS)(O)	O(CC[5a]N)	N(SC[6a]OO)(CC[5a]O)(CH3)	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6]C[6,6a]C[6])(NCC)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6])(NCC)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(CCHH)	124.0850	0.000	1	124.0850	0.000	1	123.9115	0.060	2	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(CH3)	C(C[6]C[6]2)(NCC)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(CH3)	123.7380	0.000	1	123.7380	0.000	1	123.9115	0.060	2	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]CH)(CC[6a]O)(CCCH)	121.5985	0.668	2	121.5985	0.447	2	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]O)(CH3)	121.9240	0.406	2	121.9240	0.165	2	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]CH)(CC[6a]O)(CCHH)	122.3333	0.505	3	122.3333	0.255	3	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(CCHH)	122.9720	0.000	1	122.9720	0.000	1	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6]HH)(CC[6a]O)(CH3)	121.9930	0.000	1	121.9930	0.000	1	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCCH)	121.3117	0.842	3	121.3117	0.709	3	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCHH)	122.1750	0.433	3	122.1750	0.188	3	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)(CC[6a]O)(CCHH)	121.8012	1.709	5	121.8012	2.922	5	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(CCHH)	120.9620	0.000	1	120.9620	0.000	1	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HO)(CC[6a]O)(CH3)	121.2825	0.762	2	121.2825	0.580	2	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HS)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HS)(CC[6a]O)(CH3)	122.3040	0.000	1	122.3040	0.000	1	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]N[6]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]N[6]H)(CC[6a]O)(CH3)	121.4890	0.000	1	121.4890	0.000	1	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(CCHH)	122.9325	0.279	2	122.9325	0.078	2	121.9134	0.869	27	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[3,6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3,6]C)(O)	O(CC[6a]N)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[3,6]C)(O)	O(CC[6a]N)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[3]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3]C)(O)	O(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[3]C)(O)	O(CC[6a]N)	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	122.3340	0.000	2	122.3340	0.000	2	121.9777	0.381	3	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[3]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[3]C)(O)	O(CC[6a]N)	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[3]C)(O)	O(CC[6a]N)	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	121.2650	0.000	1	121.2650	0.000	1	121.9777	0.381	3	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]O)(CH3)	120.9110	0.529	6	120.9110	0.280	6	120.2794	3.025	7	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2H)(CC[6a]O)(CCHH)	116.4900	0.000	1	116.4900	0.000	1	120.2794	3.025	7	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6,6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6,6]C)(O)	O(CC[6a]N)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6,6]C)(O)	O(CC[6a]N)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	123.4890	0.000	1	123.4890	0.000	1	123.4890	0.000	1	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	122.0520	0.000	1	122.0520	0.000	1	122.0520	0.000	1	121.6736	1.757	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CCC)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	121.6840	0.000	1	121.6840	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CCC)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	123.9780	1.512	3	123.9780	2.286	3	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	121.5225	0.616	2	121.5225	0.379	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	121.4078	0.772	4	121.4078	0.596	4	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.3580	2.085	2	122.3580	4.345	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CC[5a]CH)(CC[6a]HH)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CC[5a]CH)(CC[6a]HH)(CCO)	121.8700	0.000	1	121.8700	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCCH)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCCH)(CCO)	121.4750	0.000	1	121.4750	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC3)(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC3)(CCO)	120.3420	0.000	1	120.3420	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	122.4260	0.321	3	122.4260	0.103	3	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.3310	0.111	3	121.3310	0.012	3	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.7755	0.957	6	123.7755	0.915	6	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	123.4375	0.176	2	123.4375	0.031	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CCO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	124.5420	0.993	2	124.5420	0.986	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	123.4180	0.000	1	123.4180	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5,6]O)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[5,6]O)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	124.3030	0.000	1	124.3030	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	123.5980	0.000	1	123.5980	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5a]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	124.0680	0.000	1	124.0680	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[5a]O)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.9400	0.000	1	123.9400	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5a]O)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	124.0390	0.000	1	124.0390	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]Cl)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6]HH)(CCO)	C(CC[6]Cl)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6]HH)(CCO)	124.6760	0.000	1	124.6760	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6]H)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	120.5750	1.369	2	120.5750	1.874	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	123.3960	0.000	1	123.3960	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	123.4737	0.356	3	123.4737	0.127	3	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.9560	0.000	1	121.9560	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	122.5863	0.562	3	122.5863	0.316	3	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	122.3557	0.192	6	122.3557	0.037	6	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.5440	0.000	1	122.5440	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	125.7856	0.619	9	125.7856	0.383	9	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	124.8040	0.704	2	124.8040	0.496	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]O)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	125.0425	0.552	2	125.0425	0.305	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	123.6050	0.000	1	123.6050	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CNO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	124.7990	0.218	2	124.7990	0.047	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CNO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CNO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	124.1565	0.028	2	124.1565	0.001	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CNS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CNS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	124.9015	0.340	2	124.9015	0.116	2	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[5]O)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CN[5]O)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	126.5070	0.000	1	126.5070	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[5]O)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CN[5]O)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	124.8260	0.000	1	124.8260	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(COS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(COS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	125.5740	0.000	1	125.5740	0.000	1	123.4612	2.659	78	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(CBrC)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CBrC)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	121.4910	0.000	1	121.4910	0.000	1	121.6775	0.046	4	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(CCI)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCI)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	121.5220	0.000	1	121.5220	0.000	1	121.6775	0.046	4	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(CCS)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCS)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	121.7460	0.000	1	121.7460	0.000	1	121.6775	0.046	4	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(CClC)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CClC)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	121.9510	0.000	1	121.9510	0.000	1	121.6775	0.046	4	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CCH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	C(CCH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	116.6820	0.000	1	116.6820	0.000	1	119.0657	4.264	3	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CC[5]C)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	C(CC[5]C)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	120.3070	0.000	1	120.3070	0.000	1	119.0657	4.264	3	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[3]HH)(CCO)	C(CC[6a]O)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[3]HH)(CCO)	120.2080	0.000	1	120.2080	0.000	1	119.0657	4.264	3	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C-3:N-3:O-1:	C-3:	S-4:S-4:C-3:	C(CClO)(NSS)(O)	O(CCN)	N(SCOO)2(CCO)	C(CClO)(NSS)(O)	O(CCN)	N(SCOO)2(CCO)	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[5a]HH)(CC[6a]CH)(CC[6a]O)	120.6700	0.000	1	120.6700	0.000	1	121.2656	0.781	5	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]HH)(CC[6a]O)	121.6120	0.000	1	121.6120	0.000	1	121.2656	0.781	5	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]HO)(CC[6a]O)	122.3300	0.000	1	122.3300	0.000	1	121.2656	0.781	5	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)2(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]CH)2(CC[6a]O)	120.0880	0.000	1	120.0880	0.000	1	121.2656	0.781	5	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)2(CC[6a]O)	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]HH)2(CC[6a]O)	121.6280	0.000	1	121.6280	0.000	1	121.2656	0.781	5	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[5]-4:C-4:C-3:	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC[5]C)(O)	O(CC[6a]N)	N(C[5]C[5]2Fe)(CC[6a]HH)(CC[6a]O)	122.0175	0.745	2	122.0175	0.554	2	122.0175	0.554	2	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6]2)(O)	O(CC[6a]N)	N(C[6]C[6]2H)2(CC[6a]O)	C(C[6a]C[6a]2)(NC[6]2)(O)	O(CC[6a]N)	N(C[6]C[6]2H)2(CC[6a]O)	123.7165	0.487	4	123.7165	0.237	4	123.7165	0.237	4	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:C-3:O-1:	C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCH)(O)	O(CCN)	N(C[3]C[3]2H)(CCHH)(CCO)	C(NC[3]C)(CCH)(O)	O(CCN)	N(C[3]C[3]2H)(CCHH)(CCO)	120.2847	0.459	3	120.2847	0.211	3	120.2847	0.211	3	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:C-3:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CCH)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:C-3:O-1:	C-3:	C[6]-4:S-4:C-3:	C(NC[6]S)(COO)(O)	O(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C(NC[6]S)(COO)(O)	O(CCN)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CCCH)2(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CCCH)2(CNO)	120.3675	0.392	2	120.3675	0.154	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CCHH)2(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CCHH)2(CNO)	122.3718	1.752	6	122.3718	3.068	6	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]2C)(CH3)(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]2C)(CH3)(CNO)	121.8940	0.000	1	121.8940	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CC[6]CH)(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CC[6a]HH)(CC[6]CH)(CNO)	122.7440	0.000	1	122.7440	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	O(CNN)	N(CH3)2(CNO)	C(NCC)(NCH)(O)	O(CNN)	N(CH3)2(CNO)	121.7975	1.078	2	121.7975	1.163	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NCS)(O)	O(CNN)	N(CC[6a]HH)(CCHH)(CNO)	C(NCC)(NCS)(O)	O(CNN)	N(CC[6a]HH)(CCHH)(CNO)	125.9550	0.000	1	125.9550	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NHH)(O)	O(CNN)	N(CH3)2(CNO)	C(NCC)(NHH)(O)	O(CNN)	N(CH3)2(CNO)	120.0439	0.860	16	120.0439	0.739	16	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(NHP)(O)	O(CNN)	N(CC[6a]HH)2(CNO)	C(NCC)(NHP)(O)	O(CNN)	N(CC[6a]HH)2(CNO)	121.9230	0.099	2	121.9230	0.010	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(O)	O(CNN)	N(CCHH)(CH3)(CNO)	C(NCC)2(O)	O(CNN)	N(CCHH)(CH3)(CNO)	122.1245	0.441	2	122.1245	0.194	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(O)	O(CNN)	N(CH3)2(CNO)	C(NCC)2(O)	O(CNN)	N(CH3)2(CNO)	122.8353	2.089	4	122.8353	4.365	4	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[5,6]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	C(NC[5,6]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	122.6410	0.000	1	122.6410	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[5]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	C(NC[5]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	122.5950	0.000	1	122.5950	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[5]O)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	C(NC[5]O)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	123.6220	0.397	2	123.6220	0.158	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[5a]H)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	C(NC[5a]H)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	122.6685	0.289	2	122.6685	0.084	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6]Er)(NCC)(O)	O(CNN)	N(CErNO)(CCHH)(CNO)	C(NC[6]Er)(NCC)(O)	O(CNN)	N(CErNO)(CCHH)(CNO)	116.0785	1.228	2	116.0785	1.509	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	120.9710	0.000	1	120.9710	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]HH)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]HH)(CH3)(CNO)	125.6120	0.000	1	125.6120	0.000	1	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCCH)2(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCCH)2(CNO)	121.5690	0.259	5	121.5690	0.067	5	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	121.7502	0.816	4	121.7502	0.666	4	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[5a]HH)2(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CC[5a]HH)2(CNO)	120.1130	0.215	2	120.1130	0.046	2	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	C(NC[6a]H)(NCC)(O)	O(CNN)	N(CH3)2(CNO)	122.7993	0.451	6	122.7993	0.203	6	121.5268	3.517	64	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(NCH)(O)	O(CNN)	N(C[5]C[5]2H)(CH3)(CNO)	C(NC[5]C)(NCH)(O)	O(CNN)	N(C[5]C[5]2H)(CH3)(CNO)	121.4080	0.000	1	121.4080	0.000	1	121.0940	0.197	2	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[6a]H)(NC[5]C)(O)	O(CNN)	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	C(NC[6a]H)(NC[5]C)(O)	O(CNN)	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	120.7800	0.000	1	120.7800	0.000	1	121.0940	0.197	2	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6a]H)(NC[6]C)(O)	O(CNN)	N(C[6]C[6]2H)(CH3)(CNO)	C(NC[6a]H)(NC[6]C)(O)	O(CNN)	N(C[6]C[6]2H)(CH3)(CNO)	123.1080	0.000	1	123.1080	0.000	1	123.1080	0.000	1	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CCHH)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CCHH)(CNO)	120.7620	0.000	1	120.7620	0.000	1	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CH3)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CH3)(CNO)	120.6970	0.000	1	120.6970	0.000	1	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pt)(CCHH)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pt)(CCHH)(CNO)	120.9955	0.159	2	120.9955	0.025	2	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pt)(CH3)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pt)(CH3)(CNO)	122.6800	0.000	1	122.6800	0.000	1	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]PtC)(CH3)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]PtC)(CH3)(CNO)	120.6260	0.000	1	120.6260	0.000	1	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PPdOO)(CH3)(CNO)	C(NCP)2(O)	O(CNN)	N(PPdOO)(CH3)(CNO)	119.2160	0.000	1	119.2160	0.000	1	120.8531	1.028	7	122.3858	3.846	176	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	6:3:1:	N-3:C[6a]-3:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	122.1785	0.127	2	122.1785	0.016	2	122.2999	0.465	9	122.2999	0.465	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:3:1:	3:	6:3:1:	N-3:C[6a]-3:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	O(CC[6a]N)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	122.3346	0.782	7	122.3346	0.612	7	122.2999	0.465	9	122.2999	0.465	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:2:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:O-2:C-3:	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(OC[6])(CCO)	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(OC[6])(CCO)	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(CCHS)(O)	O(CCN)	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CCHS)(O)	O(CCN)	N(C[5]C[5]N[5])(CCO)(H)	120.2310	0.000	1	120.2310	0.000	1	121.5601	0.802	27	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5])(CCO)(H)	121.0970	0.000	1	121.0970	0.000	1	121.5601	0.802	27	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2)(CCO)(H)	121.7737	0.451	3	121.7737	0.204	3	121.5601	0.802	27	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]N[5])(CCO)(H)	123.4745	0.719	2	123.4745	0.517	2	121.5601	0.802	27	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(CCO)(H)	121.4263	0.730	20	121.4263	0.533	20	121.5601	0.802	27	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CC3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	121.4620	0.344	3	121.4620	0.119	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CC3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	119.4830	0.000	1	119.4830	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCH)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	122.7705	0.101	2	122.7705	0.010	2	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCH)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	120.5960	0.000	1	120.5960	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCCO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	122.5218	0.571	9	122.5218	0.326	9	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	123.6930	1.557	3	123.6930	2.423	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	118.7325	0.076	2	118.7325	0.006	2	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.3360	0.618	11	121.3360	0.382	11	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHN)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	122.5160	0.000	1	122.5160	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.4063	0.724	3	121.4063	0.524	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	123.0460	0.000	1	123.0460	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CClHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	123.6458	0.508	5	123.6458	0.259	5	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CClHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	122.6947	0.259	3	122.6947	0.067	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	122.1446	0.678	5	122.1446	0.460	5	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	121.2022	0.412	4	121.2022	0.170	4	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]O[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]O[5a])(CCO)(H)	122.2010	0.000	1	122.2010	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	121.5558	0.462	5	121.5558	0.213	5	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	121.3340	0.000	1	121.3340	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	120.9553	1.026	3	120.9553	1.052	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	120.8924	0.687	51	120.8924	0.472	51	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	125.4190	0.000	1	125.4190	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	121.7012	0.753	4	121.7012	0.567	4	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	122.9190	0.000	1	122.9190	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	123.6117	0.494	3	123.6117	0.244	3	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	122.2330	0.000	1	122.2330	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	122.7645	0.787	2	122.7645	0.619	2	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHS)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	122.0590	0.000	1	122.0590	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHS)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	122.1480	0.000	1	122.1480	0.000	1	121.5907	1.412	129	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	122.1656	0.599	12	122.1656	0.359	12	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]N[6]2)(CCO)(H)	121.5910	0.000	1	121.5910	0.000	1	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCCH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCCH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	121.7640	0.000	1	121.7640	0.000	1	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	123.4290	1.121	6	123.4290	1.256	6	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	122.7610	0.000	1	122.7610	0.000	1	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]N[6]S[6])(CCO)(H)	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]N[6]S[6])(CCO)(H)	122.8650	1.216	3	122.8650	1.479	3	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6])(CCO)(H)	122.3800	0.182	2	122.3800	0.033	2	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	122.5403	0.733	11	122.5403	0.537	11	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6])(CCO)(H)	122.1363	0.546	4	122.1363	0.298	4	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]N[6]2)(CCO)(H)	123.7370	0.000	1	123.7370	0.000	1	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CHHS)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CHHS)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	124.3460	0.000	1	124.3460	0.000	1	122.5722	0.789	43	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:Cl-1:	C(NC[6a]Cl)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(Cl)	C(NC[6a]Cl)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(Cl)	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBr2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.5590	0.000	1	125.5590	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBr3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.1443	0.403	11	125.1443	0.162	11	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.3508	0.451	5	123.3508	0.203	5	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.8780	0.000	1	124.8780	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.3705	0.605	2	124.3705	0.366	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	122.5399	0.643	7	122.5399	0.413	7	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.0510	0.868	61	122.0510	0.754	61	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	122.0532	0.384	20	122.0532	0.148	20	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	121.8880	0.186	6	121.8880	0.035	6	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCF)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCF)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.2490	0.000	1	124.2490	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.3910	0.404	7	123.3910	0.163	7	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.0913	1.281	27	123.0913	1.641	27	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	123.2205	0.131	2	123.2205	0.017	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	122.9500	0.561	3	122.9500	0.315	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.6176	0.964	23	123.6176	0.930	23	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.9908	0.469	5	124.9908	0.220	5	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	127.1518	0.713	5	127.1518	0.509	5	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.7150	0.000	1	125.7150	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.0560	0.628	26	123.0560	0.394	26	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.0028	1.099	215	123.0028	1.209	215	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	122.5728	1.797	31	122.5728	3.229	31	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	120.1710	0.000	1	120.1710	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.4280	0.033	2	123.4280	0.001	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.2619	0.712	58	124.2619	0.506	58	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	123.6705	1.197	4	123.6705	1.432	4	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.4114	0.384	18	125.4114	0.148	18	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.8278	1.117	17	123.8278	1.248	17	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	124.6730	0.325	2	124.6730	0.106	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	125.9630	0.000	1	125.9630	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.0123	1.203	3	125.0123	1.447	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.2144	0.286	7	125.2144	0.082	7	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCl3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.0960	0.704	4	126.0960	0.495	4	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.8195	0.402	2	124.8195	0.162	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.7153	0.992	29	124.7153	0.984	29	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	122.2366	3.379	5	122.2366	11.418	5	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	127.8330	0.453	2	127.8330	0.205	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	127.2968	1.197	24	127.2968	1.433	24	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	127.2945	0.339	4	127.2945	0.115	4	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CFFH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFFH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.0470	0.216	3	126.0470	0.047	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CFHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.8500	0.379	2	125.8500	0.144	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	122.5010	0.573	5	122.5010	0.329	5	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	120.8547	1.705	3	120.8547	2.907	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	123.5482	0.371	6	123.5482	0.138	6	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	122.8114	0.850	10	122.8114	0.723	10	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.0530	0.871	461	123.0530	0.759	461	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	123.1000	1.096	53	123.1000	1.202	53	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	122.5713	0.598	3	122.5713	0.357	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHI)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHI)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.2480	0.000	1	125.2480	0.000	1	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.7007	0.287	3	123.7007	0.082	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.6484	1.177	44	124.6484	1.386	44	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.3543	0.917	4	125.3543	0.841	4	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.8857	0.727	52	124.8857	0.529	52	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	125.0525	0.518	11	125.0525	0.268	11	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHP)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.0403	0.731	3	123.0403	0.535	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.9090	0.536	3	123.9090	0.287	3	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.2887	0.702	35	124.2887	0.492	35	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	124.3310	0.330	4	124.3310	0.109	4	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CTeHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CTeHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	120.5800	0.228	2	120.5800	0.052	2	123.4673	1.980	1351	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(CHHO)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	C(NN[5]H)(CHHO)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CC3)(O)	O(CCN)	N(N[5a]C[5,5a]C[5a])(CCO)(H)	C(NN[5a]H)(CC3)(O)	O(CCN)	N(N[5a]C[5,5a]C[5a])(CCO)(H)	121.5630	0.000	1	121.5630	0.000	1	122.2600	0.599	3	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CH3)(O)	O(CCN)	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	C(NN[5a]H)(CH3)(O)	O(CCN)	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	122.6085	0.685	2	122.6085	0.469	2	122.2600	0.599	3	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(CC3)(O)	O(CCN)	N(N[6]C[6,6]C[6])(CCO)(H)	C(NN[6]H)(CC3)(O)	O(CCN)	N(N[6]C[6,6]C[6])(CCO)(H)	122.5920	0.000	1	122.5920	0.000	1	123.2027	3.311	3	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(CC3)(O)	O(CCN)	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CC3)(O)	O(CCN)	N(N[6]C[6]2)(CCO)(H)	121.7670	0.000	1	121.7670	0.000	1	123.2027	3.311	3	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(CHHO)(O)	O(CCN)	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CHHO)(O)	O(CCN)	N(N[6]C[6]2)(CCO)(H)	125.2490	0.000	1	125.2490	0.000	1	123.2027	3.311	3	123.2501	2.208	1558	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:2:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NC)	117.5433	0.598	3	117.5433	0.357	3	119.1722	10.852	4	119.2162	8.148	5	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:2:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(NC)	124.0590	0.000	1	124.0590	0.000	1	119.1722	10.852	4	119.2162	8.148	5	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:2:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(OH)	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(OH)	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.2162	8.148	5	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	C(NC[6a]C[5])(CH3)(O)	O(CCN)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	120.0760	0.000	1	120.0760	0.000	1	120.0760	0.000	1	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	117.3810	0.000	1	117.3810	0.000	1	118.2110	2.033	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	117.7020	0.000	1	117.7020	0.000	1	118.2110	2.033	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)2	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)2	118.8805	2.063	2	118.8805	4.254	2	118.2110	2.033	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(CH3)(O)	O(CCN)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C(NC[5a]C[6a])(CH3)(O)	O(CCN)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	118.8450	0.000	1	118.8450	0.000	1	119.5273	0.350	3	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C(NC[5a]C[6a])(CH3)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	119.8685	0.049	2	119.8685	0.002	2	119.5273	0.350	3	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6]-3:C-3:C-3:	C(NC[6]C)(CCHH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)2	C(NC[6]C)(CCHH)(O)	O(CCN)	N(C[6]C[6]2)(CCO)2	118.7338	1.701	4	118.7338	2.893	4	118.7338	2.893	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6]-3:C[6]-3:C-3:	C(NC[6]2)(CCHH)(O)	O(CCN)	N(C[6]C[6]N[6])2(CCO)	C(NC[6]2)(CCHH)(O)	O(CCN)	N(C[6]C[6]N[6])2(CCO)	119.4560	0.479	8	119.4560	0.229	8	119.4560	0.229	8	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(BCH)(CCO)	C(NC[6a]B)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(BCH)(CCO)	119.6485	0.298	2	119.6485	0.089	2	119.5277	0.088	3	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C(NC[6a]B)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(BC[6]C)(CCO)	119.2860	0.000	1	119.2860	0.000	1	119.5277	0.088	3	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(CNS)	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(CNS)	117.1700	0.000	1	117.1700	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(COO)	121.5840	0.000	1	121.5840	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	120.1240	2.961	2	120.1240	8.770	2	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	120.9993	0.621	4	120.9993	0.386	4	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(COO)	123.6680	0.000	1	123.6680	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	119.8900	0.000	1	119.8900	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)2	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)2	120.2620	2.915	2	120.2620	8.495	2	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	118.8490	0.000	1	118.8490	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCC)(CCO)	120.2530	0.000	1	120.2530	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCH)(CCO)	120.7590	0.000	1	120.7590	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(CNO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(CNO)	122.3992	0.450	4	122.3992	0.203	4	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	119.9728	1.792	11	119.9728	3.211	11	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	119.5470	0.000	1	119.5470	0.000	1	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)2	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)2	119.8497	2.283	6	119.8497	5.214	6	120.4023	3.464	37	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[5a]-3:C-3:	C(NC[5a]C[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C(NC[5a]C[6a])(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6]-3:C-3:	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	119.2860	0.122	2	119.2860	0.015	2	119.2860	0.015	2	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CBrHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	122.3070	0.000	1	122.3070	0.000	1	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	118.5230	0.000	1	118.5230	0.000	1	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C(NC[6a]2)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	121.3500	0.000	1	121.3500	0.000	1	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	121.8199	0.605	8	121.8199	0.366	8	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	122.4490	0.000	1	122.4490	0.000	1	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	121.0680	0.752	16	121.0680	0.565	16	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CH3)(O)	O(CCN)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C(NC[6a]2)(CH3)(O)	O(CCN)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	121.1110	0.000	1	121.1110	0.000	1	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	122.2025	0.400	4	122.2025	0.160	4	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.2237	1.037	3	123.2237	1.076	3	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CSeHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CSeHH)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	121.7450	0.338	2	121.7450	0.114	2	121.5621	1.055	38	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	121.0120	0.000	1	121.0120	0.000	1	120.5950	0.348	2	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	120.1780	0.000	1	120.1780	0.000	1	120.5950	0.348	2	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:N[6a]-3:C-3:	C(NC[6a]N[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C(NC[6a]N[6a])(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	120.4135	0.665	2	120.4135	0.443	2	120.4135	0.443	2	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[5]-3:C-3:C-3:	C(NN[5]C)(CH3)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)2	C(NN[5]C)(CH3)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)2	118.8080	0.191	2	118.8080	0.036	2	118.8988	1.279	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[5]-3:C-3:C-3:	C(NN[5]C)(CH3)(O)	O(CCN)	N(N[5]C[5]2)(CCO)2	C(NN[5]C)(CH3)(O)	O(CCN)	N(N[5]C[5]2)(CCO)2	118.9895	1.941	2	118.9895	3.768	2	118.8988	1.279	4	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[5a]-3:C-3:C-3:	C(NN[5a]C)(CH3)(O)	O(CCN)	N(N[5a]C[5a]N[5a])(CCO)2	C(NN[5a]C)(CH3)(O)	O(CCN)	N(N[5a]C[5a]N[5a])(CCO)2	118.9110	1.830	2	118.9110	3.349	2	118.9110	3.349	2	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCCH)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCCH)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	118.5435	1.322	2	118.5435	1.747	2	119.7702	2.369	6	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCHO)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCHO)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	120.3883	1.671	3	120.3883	2.793	3	119.7702	2.369	6	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CH3)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CH3)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	120.3690	0.000	1	120.3690	0.000	1	119.7702	2.369	6	120.4107	2.695	117	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	118.0810	0.000	1	118.0810	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]N[5a]2)(CCHH)(CCO)	120.6740	0.000	1	120.6740	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCCH)(O)	O(CCN)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCCH)(O)	O(CCN)	N(C[5a]N[5a]2)(CCHH)(CCO)	120.9655	0.059	2	120.9655	0.003	2	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	C(NC[5a]C)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	120.3420	0.000	1	120.3420	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHN)(O)	O(CCN)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	C(NC[5a]C)(CCHN)(O)	O(CCN)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	121.2250	0.000	1	121.2250	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CClHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CClHH)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	122.6445	0.320	2	122.6445	0.103	2	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	120.7920	0.000	1	120.7920	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C(NC[5a]C)(CH3)(O)	O(CCN)	N(C[5a]C[5a]O[5a])(CC3)(CCO)	121.4980	0.000	1	121.4980	0.000	1	120.9832	1.657	10	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	120.9900	0.000	1	120.9900	0.000	1	120.4320	0.623	2	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CH3)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	119.8740	0.000	1	119.8740	0.000	1	120.4320	0.623	2	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(CClHH)(O)	O(CCN)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C(NC[6]C)(CClHH)(O)	O(CCN)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	122.9840	0.000	1	122.9840	0.000	1	122.3155	0.894	2	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	121.6470	0.000	1	121.6470	0.000	1	122.3155	0.894	2	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	123.4820	0.000	1	123.4820	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CBrCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.4910	0.000	1	122.4910	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CBHH)(CCO)	120.4533	0.189	3	120.4533	0.036	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CFeCC)(CCO)	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CFeCC)(CCO)	118.9480	0.000	1	118.9480	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CC3)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	120.2550	0.178	2	120.2550	0.032	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	122.0323	0.154	3	122.0323	0.024	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	122.0817	0.918	8	122.0817	0.844	8	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.8730	0.574	27	121.8730	0.329	27	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.3045	1.521	2	121.3045	2.313	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	121.1150	0.000	1	121.1150	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	121.9260	0.872	25	121.9260	0.760	25	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	121.4940	0.000	1	121.4940	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.1720	0.000	1	121.1720	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.5430	0.982	6	121.5430	0.965	6	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.3895	0.511	12	121.3895	0.261	12	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CHHO)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CHHO)(CCO)	121.8690	0.000	1	121.8690	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	121.8880	0.000	1	121.8880	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	122.4710	0.000	1	122.4710	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	122.5610	0.000	1	122.5610	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.7338	0.109	4	121.7338	0.012	4	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	121.7950	0.000	1	121.7950	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	122.8734	0.554	11	122.8734	0.306	11	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	122.8560	0.000	1	122.8560	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.9335	0.801	2	122.9335	0.642	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.1343	1.641	3	122.1343	2.692	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	123.0695	0.260	2	123.0695	0.067	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCl2H)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	123.2030	0.000	1	123.2030	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CClCH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.8150	0.000	1	122.8150	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	122.5827	0.586	3	122.5827	0.344	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	122.7650	0.000	1	122.7650	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CClHH)(CCO)	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CClHH)(CCO)	122.0790	0.000	1	122.0790	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CClHH)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	123.1850	0.103	2	123.1850	0.011	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	124.7780	0.000	1	124.7780	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	125.3553	0.154	3	125.3553	0.024	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CF3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	125.0370	0.000	1	125.0370	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	119.7020	0.000	1	119.7020	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	120.3894	0.663	15	120.3894	0.440	15	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	121.0610	0.000	1	121.0610	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	120.3546	0.478	7	120.3546	0.229	7	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.4822	0.396	5	121.4822	0.157	5	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	120.9323	1.521	3	120.9323	2.313	3	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHI)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CHHI)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	123.2375	0.751	4	123.2375	0.564	4	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	122.0637	0.605	11	122.0637	0.366	11	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.9620	0.059	2	121.9620	0.004	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.9860	0.885	2	122.9860	0.784	2	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	122.3522	1.142	4	122.3522	1.305	4	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	122.4702	1.104	6	122.4702	1.218	6	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.3950	0.752	6	122.3950	0.565	6	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(NC[6a]C)(CHHS)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	122.6250	0.000	1	122.6250	0.000	1	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHNO)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	123.1033	0.608	4	123.1033	0.369	4	121.9246	1.328	208	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.4362	0.575	9	121.4362	0.330	9	121.4914	0.259	14	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.5906	0.402	5	121.5906	0.162	5	121.4914	0.259	14	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCCH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.3950	0.000	1	120.3950	0.000	1	119.8880	0.220	8	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	119.8785	0.475	4	119.8785	0.226	4	119.8880	0.220	8	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(SCOO)(CCO)	C(NC[6a]S)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(SCOO)(CCO)	119.4790	0.383	2	119.4790	0.147	2	119.8880	0.220	8	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C(NC[6a]S)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	120.2370	0.000	1	120.2370	0.000	1	119.8880	0.220	8	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	N[5]-3:C-4:C-3:	C(NN[5]C)(CF3)(O)	O(CCN)	N(N[5]C[5]2)(CCCH)(CCO)	C(NN[5]C)(CF3)(O)	O(CCN)	N(N[5]C[5]2)(CCCH)(CCO)	125.2230	0.000	1	125.2230	0.000	1	125.2230	0.000	1	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	N[6]-3:C-4:C-3:	C(NN[6]C)(CH3)(O)	O(CCN)	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	C(NN[6]C)(CH3)(O)	O(CCN)	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	120.4540	0.000	1	120.4540	0.000	1	120.2803	0.651	3	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	N[6]-3:C-4:C-3:	C(NN[6]C)(CH3)(O)	O(CCN)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	C(NN[6]C)(CH3)(O)	O(CCN)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	120.1935	1.121	2	120.1935	1.256	2	120.2803	0.651	3	121.7810	1.461	248	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[3]-4:C-3:H-1:	C(NC[3]H)(CH3)(O)	O(CCN)	N(C[3]C[3]2C)(CCO)(H)	C(NC[3]H)(CH3)(O)	O(CCN)	N(C[3]C[3]2C)(CCO)(H)	121.4520	0.628	2	121.4520	0.394	2	122.6520	1.025	6	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[3]-4:C-3:H-1:	C(NC[3]H)(CH3)(O)	O(CCN)	N(C[3]C[3]2P)(CCO)(H)	C(NC[3]H)(CH3)(O)	O(CCN)	N(C[3]C[3]2P)(CCO)(H)	123.2520	0.369	4	123.2520	0.136	4	122.6520	1.025	6	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CCHN)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CCHN)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	125.3380	0.701	2	125.3380	0.492	2	123.7541	1.367	11	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CClHH)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CClHH)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	125.0340	0.000	1	125.0340	0.000	1	123.7541	1.367	11	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CH3)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(O)	O(CCN)	N(C[3x6]C[6,6]3)(CCO)(H)	123.1981	0.760	8	123.1981	0.578	8	123.7541	1.367	11	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(CH3)(O)	O(CCN)	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	C(NC[4,5]H)(CH3)(O)	O(CCN)	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(CCHN)(O)	O(CCN)	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CCHN)(O)	O(CCN)	N(C[4]C[4]2C)(CCO)(H)	123.4015	0.088	2	123.4015	0.008	2	121.8963	1.400	20	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4,5]C[4]C)(CCO)(H)	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4,5]C[4]C)(CCO)(H)	121.2980	0.000	1	121.2980	0.000	1	121.8963	1.400	20	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4]2C)(CCO)(H)	121.6107	1.074	12	121.6107	1.154	12	121.8963	1.400	20	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4]2H)(CCO)(H)	C(NC[4]H)(CH3)(O)	O(CCN)	N(C[4]C[4]2H)(CCO)(H)	121.1697	0.593	3	121.1697	0.352	3	121.8963	1.400	20	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(CHHS)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(NC[4]H)(CHHS)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	123.4930	0.803	2	123.4930	0.645	2	121.8963	1.400	20	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CCHN)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C(NC[5,6]H)(CCHN)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	122.2360	0.574	2	122.2360	0.330	2	122.3853	0.146	14	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	122.4420	0.442	4	122.4420	0.195	4	122.3853	0.146	14	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	122.4535	0.291	2	122.4535	0.084	2	122.3853	0.146	14	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	121.8080	0.000	1	121.8080	0.000	1	122.3853	0.146	14	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	O(CCN)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	122.4878	0.333	5	122.4878	0.111	5	122.3853	0.146	14	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CC3)(O)	O(CCN)	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CC3)(O)	O(CCN)	N(C[5]C[5,5]C[5]H)(CCO)(H)	121.4288	0.159	5	121.4288	0.025	5	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CC3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CC3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	122.9169	0.316	16	122.9169	0.100	16	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCCH)(O)	O(CCN)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCCH)(O)	O(CCN)	N(C[5]C[5]N[5]H)(CCO)(H)	122.6030	0.000	1	122.6030	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCCN)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCCN)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	123.2773	0.688	18	123.2773	0.473	18	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	120.4160	0.000	1	120.4160	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	121.2375	0.322	2	121.2375	0.104	2	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]C[5]N[5]C)(CCO)(H)	122.8760	0.000	1	122.8760	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]N[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	O(CCN)	N(C[5]N[5,5]C[5]H)(CCO)(H)	122.0850	0.000	1	122.0850	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(H)	122.3031	0.682	17	122.3031	0.465	17	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	124.5686	0.623	5	124.5686	0.388	5	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHN)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	123.7035	0.706	11	123.7035	0.498	11	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHO)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHO)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	123.1070	0.000	1	123.1070	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCl3)(O)	O(CCN)	N(C[5]C[5,6]C[5]H)(CCO)(H)	C(NC[5]H)(CCl3)(O)	O(CCN)	N(C[5]C[5,6]C[5]H)(CCO)(H)	126.4620	0.034	2	126.4620	0.001	2	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	127.0020	0.000	1	127.0020	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	127.0110	0.000	1	127.0110	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CF3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	126.6120	0.000	1	126.6120	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5]C)(CCO)(H)	122.8510	0.000	1	122.8510	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,5]C[5]H)(CCO)(H)	122.0330	0.000	1	122.0330	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6]C[5]C)(CCO)(H)	122.5260	0.000	1	122.5260	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[5]H)(CCO)(H)	121.1250	0.000	1	121.1250	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	120.5650	0.386	3	120.5650	0.149	3	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(H)	122.0803	0.209	3	122.0803	0.044	3	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	123.1573	0.412	3	123.1573	0.169	3	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	122.2991	0.506	7	122.2991	0.256	7	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[5]N[5]C)(CCO)(H)	122.2357	0.275	3	122.2357	0.076	3	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]C[6a]C[5]O[5])(CCO)(H)	122.4610	0.000	1	122.4610	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]P[5]S[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	O(CCN)	N(C[5]P[5]S[5]C)(CCO)(H)	119.8590	0.000	1	119.8590	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHI)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CHHI)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCO)(H)	122.4190	0.000	1	122.4190	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHN)(O)	O(CCN)	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C(NC[5]H)(CHHN)(O)	O(CCN)	N(C[5]C[6a]C[5]N[5])(CCO)(H)	120.9150	0.000	1	120.9150	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHO)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHO)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	124.9350	0.000	1	124.9350	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHS)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHS)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	122.3190	0.000	1	122.3190	0.000	1	122.8699	1.754	113	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CCHH)(O)	O(CCN)	N(C[6,6]C[3x6]2H)(CCO)(H)	C(NC[6,6]H)(CCHH)(O)	O(CCN)	N(C[6,6]C[3x6]2H)(CCO)(H)	122.7190	0.000	1	122.7190	0.000	1	123.1132	1.997	8	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CC[6a]3)(O)	O(CCN)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C(NC[6,6]H)(CC[6a]3)(O)	O(CCN)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	121.0545	0.503	2	121.0545	0.253	2	123.1132	1.997	8	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CH3)(O)	O(CCN)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C(NC[6,6]H)(CH3)(O)	O(CCN)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	124.0105	0.281	2	124.0105	0.079	2	123.1132	1.997	8	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CH3)(O)	O(CCN)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C(NC[6,6]H)(CH3)(O)	O(CCN)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	124.0190	0.688	3	124.0190	0.473	3	123.1132	1.997	8	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CC3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	121.1360	0.228	2	121.1360	0.052	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCH)(O)	O(CCN)	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CCCH)(O)	O(CCN)	N(C[6]C[6]N[6]H)(CCO)(H)	122.3260	0.000	1	122.3260	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCN)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCCN)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	123.2240	0.057	2	123.2240	0.003	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCCN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.7955	0.366	2	122.7955	0.134	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCFF)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCFF)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	126.4586	0.876	5	126.4586	0.768	5	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6,6a]2H)(CCO)(H)	122.9390	0.000	1	122.9390	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	122.0620	0.000	1	122.0620	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.1761	1.040	16	123.1761	1.081	16	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	122.3033	0.940	3	122.3033	0.883	3	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.4916	0.870	28	123.4916	0.758	28	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	122.6150	0.000	1	122.6150	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	126.1767	0.790	3	126.1767	0.624	3	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	125.6360	0.000	1	125.6360	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	125.4450	0.000	1	125.4450	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	127.9905	0.928	2	127.9905	0.862	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.9220	0.490	3	124.9220	0.240	3	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CClCH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClCH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	124.0030	0.000	1	124.0030	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CClHH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClHH)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	124.1900	0.465	2	124.1900	0.216	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CF3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CF3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	127.0845	0.414	2	127.0845	0.171	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	127.7025	0.866	4	127.7025	0.751	4	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	121.8602	0.701	5	121.8602	0.492	5	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	121.0360	0.000	1	121.0360	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6]C[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6]C[6]C)(CCO)(H)	125.0910	0.000	1	125.0910	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	121.0080	0.000	1	121.0080	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	122.0427	0.260	3	122.0427	0.068	3	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	122.2240	0.000	1	122.2240	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(H)	121.9306	0.687	5	121.9306	0.471	5	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.2528	0.747	55	122.2528	0.557	55	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6]C)(CCO)(H)	123.3380	0.000	1	123.3380	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]N[6]H)(CCO)(H)	123.0360	0.000	1	123.0360	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CCO)(H)	122.3134	0.629	7	122.3134	0.395	7	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHI)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHI)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.1710	0.000	1	123.1710	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHN)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.3220	0.000	1	124.3220	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHN)(O)	O(CCN)	N(C[6]C[6a]C[6]2)(CCO)(H)	C(NC[6]H)(CHHN)(O)	O(CCN)	N(C[6]C[6a]C[6]2)(CCO)(H)	124.1180	0.000	1	124.1180	0.000	1	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHO)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	124.5495	0.218	2	124.5495	0.048	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.2935	0.262	2	124.2935	0.069	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHS)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHS)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.8790	0.337	2	123.8790	0.113	2	123.2031	2.695	171	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	P[6]-4:C-3:H-1:	C(NP[6]H)(CF3)(O)	O(CCN)	N(P[6]N[6]2O)(CCO)(H)	C(NP[6]H)(CF3)(O)	O(CCN)	N(P[6]N[6]2O)(CCO)(H)	126.1010	0.000	2	126.1010	0.000	2	126.1010	0.000	2	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:C-4:O-1:	C-3:	Si-4:C-3:H-1:	C(NSiH)(CH3)(O)	O(CCN)	N(SiSi2C)(CCO)(H)	C(NSiH)(CH3)(O)	O(CCN)	N(SiSi2C)(CCO)(H)	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:P-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(PRh2H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRh2H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	124.9950	0.923	2	124.9950	0.853	2	124.9295	0.299	4	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:P-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(PRu2H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRu2H)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	124.7500	0.000	1	124.7500	0.000	1	124.9295	0.299	4	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:P-4:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(PRuHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRuHH)(O)	O(CNP)	N(C[5]C[5]2Fe)(COP)(H)	124.9780	0.000	1	124.9780	0.000	1	124.9295	0.299	4	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:1:	N-3:P-4:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(PO3)(O)	O(CNP)	N(C[6]C[6]2H)(COP)(H)	C(NC[6]H)(PO3)(O)	O(CNP)	N(C[6]C[6]2H)(COP)(H)	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	123.0117	2.317	352	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:2:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(OH)	C(NC[5]O)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(OH)	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	119.5735	1.519	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:2:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:N-2:	C(NC[6]N)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C(NC[6]N)(CH3)(O)	O(CCN)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	119.5735	1.519	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C-4:C[6a]-3:C-3:	C(NC[6a]C)(CH3)(O)	O(CCN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C)(CH3)(O)	O(CCN)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(CCHH)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(CNO)	120.1080	0.343	3	120.1080	0.117	3	120.4001	0.498	8	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(COO)	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2C)(CCO)(COO)	120.8920	0.000	1	120.8920	0.000	1	120.4001	0.498	8	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(CNO)	120.6380	0.000	1	120.6380	0.000	1	120.4001	0.498	8	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)2	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)2	120.4490	1.160	3	120.4490	1.346	3	120.4001	0.498	8	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6a]-3:C-3:	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C[6])(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	120.9540	0.302	3	120.9540	0.091	3	120.9540	0.091	3	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:3:3:	N-3:C-4:O-1:	C-3:	C[6]-4:N[5]-3:C-3:	C(NC[6]N[5])(CF3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C(NC[6]N[5])(CF3)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	122.3140	0.000	1	122.3140	0.000	1	122.3140	0.000	1	120.6672	0.611	13	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[5,6]-4:C-4:C-3:	C(NC[5,6]C)(CCHN)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	C(NC[5,6]C)(CCHN)(O)	O(CCN)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHH)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCHH)(CCO)	C(NC[5]C)(CCHH)(O)	O(CCN)	N(C[5]C[5]2Fe)(CCHH)(CCO)	122.5070	0.000	1	122.5070	0.000	1	122.9410	0.174	3	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHN)(O)	O(CCN)	N(C[5]C[5]2H)(CH3)(CCO)	C(NC[5]C)(CCHN)(O)	O(CCN)	N(C[5]C[5]2H)(CH3)(CCO)	123.1580	0.257	2	123.1580	0.066	2	122.9410	0.174	3	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(NC[5]2)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[5]H)(C[5]C[5]2H)(CCO)	C(NC[5]2)(CH3)(O)	O(CCN)	N(C[5]C[5,6a]C[5]H)(C[5]C[5]2H)(CCO)	120.7540	0.000	1	120.7540	0.000	1	121.1870	0.152	3	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[5]-4:C[5]-4:C-3:	C(NC[5]2)(CH3)(O)	O(CCN)	N(C[5]C[5]2Fe)2(CCO)	C(NC[5]2)(CH3)(O)	O(CCN)	N(C[5]C[5]2Fe)2(CCO)	121.4035	0.151	2	121.4035	0.023	2	121.1870	0.152	3	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CCHH)(CCO)	C(NC[6]C)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CCHH)(CCO)	125.9260	0.000	1	125.9260	0.000	1	124.1865	6.814	4	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C(NC[6]C)(CF3)(O)	O(CCN)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	125.2600	0.076	2	125.2600	0.006	2	124.1865	6.814	4	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C(NC[6]C)(CH3)(O)	O(CCN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	120.3000	0.000	1	120.3000	0.000	1	124.1865	6.814	4	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CClHH)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CClHH)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	123.7600	0.000	1	123.7600	0.000	1	123.1600	0.410	6	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CH3)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	121.9800	0.000	1	121.9800	0.000	1	123.1600	0.410	6	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHHI)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHHI)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	123.5510	0.000	1	123.5510	0.000	1	123.1600	0.410	6	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHHO)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	123.3470	0.204	2	123.3470	0.041	2	123.1600	0.410	6	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	4:4:3:	N-3:C-4:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHNO)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHNO)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	122.9750	0.000	1	122.9750	0.000	1	123.1600	0.410	6	122.9566	2.466	17	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	6:3:1:	N-3:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	123.0350	0.000	1	123.0350	0.000	1	121.8216	1.281	9	121.8216	1.281	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	6:3:1:	N-3:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	121.2815	0.997	6	121.2815	0.994	6	121.8216	1.281	9	121.8216	1.281	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	3:4:1:	3:	6:3:1:	N-3:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	O(CCN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	122.8350	0.065	2	122.8350	0.004	2	121.8216	1.281	9	121.8216	1.281	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	122.0650	0.000	1	122.0650	0.000	1	120.8644	3.662	5	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(NC[5])(CCO)(H)	119.1990	0.000	1	119.1990	0.000	1	120.8644	3.662	5	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	O(CCN)	N(NC[6])(CCO)(H)	119.7160	0.410	2	119.7160	0.168	2	120.8644	3.662	5	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	N-2:C-3:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(NC[5])(CCO)(H)	123.6260	0.000	1	123.6260	0.000	1	120.8644	3.662	5	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	O-2:C-3:H-1:	C(CCHO)(NHO)(O)	O(CCN)	N(OC[3])(CCO)(H)	C(CCHO)(NHO)(O)	O(CCN)	N(OC[3])(CCO)(H)	123.7240	0.000	1	123.7240	0.000	1	122.9945	1.064	2	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:3:1:	C-4:N-3:O-1:	C-3:	O-2:C-3:H-1:	C(CH3)(NHO)(O)	O(CCN)	N(OC[6a])(CCO)(H)	C(CH3)(NHO)(O)	O(CCN)	N(OC[6a])(CCO)(H)	122.2650	0.000	1	122.2650	0.000	1	122.9945	1.064	2	121.4730	3.699	7	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	2:4:3:	C-4:N-3:O-1:	C-3:	O-2:C-4:C-3:	C(CH3)(NCO)(O)	O(CCN)	N(OC[6a])(CCHO)(CCO)	C(CH3)(NCO)(O)	O(CCN)	N(OC[6a])(CCHO)(CCO)	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CBr3)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CBr3)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.3133	0.313	3	124.3133	0.098	3	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CBrCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CBrCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5090	0.000	1	124.5090	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC3)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC3)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.8563	1.294	3	121.8563	1.674	3	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.5153	0.692	9	122.5153	0.479	9	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.1937	0.552	3	121.1937	0.305	3	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCCO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCCO)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5890	2.425	2	124.5890	5.882	2	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCFF)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCFF)(NHH)(O)	O(CCN)	N(CCO)(H)2	126.9550	0.465	2	126.9550	0.216	2	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCFH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCFH)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.3980	0.033	2	123.3980	0.001	2	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCHH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.5269	0.818	109	122.5269	0.670	109	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.4073	1.010	41	123.4073	1.020	41	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCHO)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.0153	0.447	11	124.0153	0.200	11	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCOO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCOO)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5700	0.000	1	124.5700	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.1594	0.573	16	122.1594	0.328	16	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5a]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5a]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.6940	0.330	4	124.6940	0.109	4	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[5a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[5a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.6420	0.000	1	123.6420	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.2960	0.218	2	122.2960	0.047	2	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]2C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]2C)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.3990	0.000	1	122.3990	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]2H)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]2H)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.1633	0.311	12	122.1633	0.097	12	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]CC)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]CC)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.1710	0.000	1	121.1710	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.3762	0.878	16	122.3762	0.771	16	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]C[6]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]C[6]C)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.7010	0.000	1	121.7010	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]C[6]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]C[6]H)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.9790	0.000	1	122.9790	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.6228	0.736	9	122.6228	0.542	9	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.5310	0.936	27	123.5310	0.876	27	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCoCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCoCH)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.1040	0.000	1	121.1040	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CH3)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CH3)(NHH)(O)	O(CCN)	N(CCO)(H)2	121.9398	0.957	17	121.9398	0.917	17	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CHHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.2908	0.698	68	123.2908	0.487	68	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CHHO)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CHHO)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.3056	0.470	8	123.3056	0.221	8	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CHHS)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CHHS)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.6831	0.809	10	123.6831	0.655	10	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[4]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[4]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5610	0.000	1	124.5610	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[5]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[5]CH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.7705	0.688	25	122.7705	0.474	25	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[5]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[5]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.8971	0.544	28	123.8971	0.296	28	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[6]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[6]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	124.5414	0.619	20	124.5414	0.384	20	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CN[6a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CN[6a]HH)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.5580	0.000	1	123.5580	0.000	1	123.0507	1.141	457	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[3]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[3]C[3]2C)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	C(C[3]C[3]2C)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	123.0410	0.000	1	123.0410	0.000	1	123.4190	2.110	6	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[3]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[3]C[3]2H)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	C(C[3]C[3]2H)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	122.5555	0.189	2	122.5555	0.036	2	123.4190	2.110	6	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[3]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[3]C[3]O[3]C)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	C(C[3]C[3]O[3]C)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	125.2200	0.392	2	125.2200	0.153	2	123.4190	2.110	6	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[3]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[3]C[6a]C[3]2)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	C(C[3]C[6a]C[3]2)(NHH)(O)	O(CC[3]N)	N(CC[3]O)(H)2	121.9220	0.000	1	121.9220	0.000	1	123.4190	2.110	6	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[3x4,3x6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[3x4,3x6]C[3x4,3x6]3)(NHH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(H)2	C(C[3x4,3x6]C[3x4,3x6]3)(NHH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(H)2	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[4]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[4]C[4]2H)(NHH)(O)	O(CC[4]N)	N(CC[4]O)(H)2	C(C[4]C[4]2H)(NHH)(O)	O(CC[4]N)	N(CC[4]O)(H)2	124.6440	1.293	2	124.6440	1.671	2	124.5240	0.614	4	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[4]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[4]C[4]N[4]H)(NHH)(O)	O(CC[4]N)	N(CC[4]O)(H)2	C(C[4]C[4]N[4]H)(NHH)(O)	O(CC[4]N)	N(CC[4]O)(H)2	124.4040	0.335	2	124.4040	0.112	2	124.5240	0.614	4	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(NHH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(NHH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(H)2	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6]2H)(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]2H)(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	122.3060	0.000	1	122.3060	0.000	1	122.4365	0.034	2	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(NHH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(H)2	122.5670	0.000	1	122.5670	0.000	1	122.4365	0.034	2	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5,6]C[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	122.7560	0.000	1	122.7560	0.000	1	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]2C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]2C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	122.5291	1.341	17	122.5291	1.798	17	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]2Fe)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]2Fe)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	122.0650	0.000	1	122.0650	0.000	1	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]2H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]2H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	122.1142	0.802	8	122.1142	0.643	8	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]2N)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]2N)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	110.6350	9.407	2	110.6350	88.498	2	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	123.8115	1.172	2	123.8115	1.373	2	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	124.3388	0.941	6	124.3388	0.886	6	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]O[5]C)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	126.6130	0.000	1	126.6130	0.000	1	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]O[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	123.9410	0.743	23	123.9410	0.552	23	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]2)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	121.7220	0.000	1	121.7220	0.000	1	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]N[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	122.8810	0.312	5	122.8810	0.097	5	122.8812	7.623	67	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	120.5390	0.000	1	120.5390	0.000	1	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	121.8940	0.000	1	121.8940	0.000	1	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]2C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	122.3907	0.171	4	122.3907	0.029	4	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]2H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	122.4274	0.536	33	122.4274	0.287	33	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2N)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]2N)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	123.4733	0.892	4	123.4733	0.797	4	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]2O)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]2O)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	122.7527	0.108	3	122.7527	0.012	3	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]N[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	123.2155	0.107	2	123.2155	0.011	2	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]O[6]C)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	122.4150	0.083	2	122.4150	0.007	2	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6]O[6]H)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	124.4571	0.576	7	124.4571	0.332	7	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	C[6]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6]C[6a]C[6]2)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	C(C[6]C[6a]C[6]2)(NHH)(O)	O(CC[6]N)	N(CC[6]O)(H)2	121.9926	0.370	8	121.9926	0.137	8	122.6562	0.803	65	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:1:1:	P-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(PMoHH)(NHH)(O)	O(CNP)	N(COP)(H)2	C(PMoHH)(NHH)(O)	O(CNP)	N(COP)(H)2	123.9390	0.065	2	123.9390	0.004	2	123.9390	0.004	2	123.0018	1.839	605	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:C-2:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(CC)(H)	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	121.8920	0.000	1	121.8920	0.000	1	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCCN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	123.0540	0.560	2	123.0540	0.314	2	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	121.3200	1.811	39	121.3200	3.281	39	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.0483	0.634	7	124.0483	0.402	7	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NH)(H)	122.2330	0.000	1	122.2330	0.000	1	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.1730	0.000	1	124.1730	0.000	1	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	121.6298	2.231	12	121.6298	4.976	12	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]2O)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	123.4670	0.000	1	123.4670	0.000	1	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	121.2175	2.057	12	121.2175	4.230	12	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	119.9836	1.042	16	119.9836	1.087	16	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NH)(H)	122.5140	0.000	1	122.5140	0.000	1	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]HN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.3085	1.563	8	124.3085	2.442	8	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	120.4286	1.294	34	120.4286	1.675	34	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	122.0282	1.253	13	122.0282	1.571	13	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.1996	1.042	17	124.1996	1.086	17	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CHHS)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	120.9900	0.547	4	120.9900	0.299	4	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	122.4164	1.224	12	122.4164	1.499	12	121.7341	3.911	181	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CC3)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CC3)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	121.7005	1.264	2	121.7005	1.597	2	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCCH)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CCCH)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	123.1873	0.442	3	123.1873	0.196	3	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCCN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CCCN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	123.4970	0.000	1	123.4970	0.000	1	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCCO)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CCCO)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	123.1570	0.000	1	123.1570	0.000	1	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CCHH)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	123.6265	2.033	2	123.6265	4.133	2	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	C(CCHH)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	123.0802	0.524	5	123.0802	0.275	5	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CCHN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CCHN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	123.2390	0.000	1	123.2390	0.000	1	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CC[5a]CC)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CC[5a]CC)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	122.7795	0.233	2	122.7795	0.054	2	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CH3)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	C(CH3)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	123.3010	0.000	1	123.3010	0.000	1	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CHHN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	C(CHHN)(NHO)(O)	O(CCN)	N(CCO)(OC)(H)	124.4360	0.059	3	124.4360	0.003	3	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(CHHN)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	C(CHHN)(NHO)(O)	O(CCN)	N(CCO)(OH)(H)	123.8060	0.000	1	123.8060	0.000	1	123.2493	0.837	22	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[3]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[3]C[3,5]C[3]H)(NHN)(O)	O(CC[3]N)	N(CC[3]O)(NC)(H)	C(C[3]C[3,5]C[3]H)(NHN)(O)	O(CC[3]N)	N(CC[3]O)(NC)(H)	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[3x6]C[6,6]3)(NHN)(O)	O(CC[3x6]N)	N(CC[3x6]O)(NC)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	O(CC[3x6]N)	N(CC[3x6]O)(NC)(H)	121.4715	0.037	2	121.4715	0.001	2	121.4715	0.001	2	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5,6]C[5,5,6]2H)(NHN)(O)	O(CC[5,6]N)	N(CC[5,6]O)(NC[5,6])(H)	C(C[5,6]C[5,5,6]2H)(NHN)(O)	O(CC[5,6]N)	N(CC[5,6]O)(NC[5,6])(H)	120.8435	0.321	8	120.8435	0.103	8	120.8435	0.103	8	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[5]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5]C[5]2Fe)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2Fe)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NC)(H)	121.0180	0.000	1	121.0180	0.000	1	121.1090	0.017	2	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[5]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[5]C[5]2H)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2H)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NC)(H)	121.2000	0.000	1	121.2000	0.000	1	121.1090	0.017	2	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[6]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6]C[6,6a]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	C(C[6]C[6,6a]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	122.1740	0.000	1	122.1740	0.000	1	122.9196	0.534	25	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[6]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	122.9507	0.729	24	122.9507	0.532	24	122.9196	0.534	25	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:1:	C[6]-4:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6]C[6]2H)(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OH)(H)	C(C[6]C[6]2H)(NHO)(O)	O(CC[6]N)	N(CC[6]O)(OH)(H)	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	121.9531	3.386	243	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:2:2:	C-4:N-3:O-1:	C-3:	C-3:N-2:S-2:	C(CH3)(NNS)(O)	O(CCN)	N(CCO)(NC)(SS)	C(CH3)(NNS)(O)	O(CCN)	N(CCO)(NC)(SS)	120.1070	0.222	2	120.1070	0.049	2	120.1070	0.049	2	120.1070	0.049	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	120.8783	0.388	3	120.8783	0.151	3	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	120.7410	0.000	1	120.7410	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	121.6846	0.789	14	121.6846	0.622	14	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]C[6])(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]C[6])(CCO)(H)	120.9877	0.077	3	120.9877	0.006	3	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CN[5]S)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CN[5]S)(CCO)(H)	121.2990	0.000	1	121.2990	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.4430	0.000	1	122.4430	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	121.6820	0.000	1	121.6820	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	121.6663	0.169	4	121.6663	0.028	4	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	122.7129	0.467	14	122.7129	0.218	14	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.6144	0.538	38	122.6144	0.289	38	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	121.0285	3.524	2	121.0285	12.415	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)2(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)2(H)	117.9400	0.000	1	117.9400	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	122.1915	0.573	2	122.1915	0.329	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	122.9178	0.628	6	122.9178	0.394	6	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	124.0467	0.884	3	124.0467	0.782	3	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	123.6310	0.000	1	123.6310	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	123.5940	0.870	2	123.5940	0.756	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	121.3190	0.000	1	121.3190	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	123.6900	0.279	2	123.6900	0.078	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	123.9130	0.000	1	123.9130	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	123.3305	0.252	2	123.3305	0.064	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	123.5740	0.000	1	123.5740	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]2H)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CC[6a]2H)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.5610	0.370	3	122.5610	0.137	3	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.5710	0.000	1	122.5710	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]O)(CCO)(H)	118.0520	0.000	2	118.0520	0.000	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CCO)(CHO)(H)	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CCO)(CHO)(H)	123.1810	0.000	1	123.1810	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)(CNN)(H)	123.7665	0.334	2	123.7665	0.112	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.8205	0.083	2	122.8205	0.007	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)2(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCO)2(H)	118.3630	0.762	2	118.3630	0.581	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCH)(CCO)(H)	125.0170	0.914	5	125.0170	0.835	5	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCl3)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CCl3)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	125.4040	0.000	1	125.4040	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCl3)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	C(CCl3)(NCH)(O)	O(CCN)	N(CCO)(COO)(H)	125.7900	0.000	1	125.7900	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CClHH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CClHH)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	124.7510	0.126	2	124.7510	0.016	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	122.1335	1.142	10	122.1335	1.305	10	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCN)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCN)(CCO)(H)	123.0097	0.700	3	123.0097	0.490	3	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CHN)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CHN)(H)	121.5930	0.000	1	121.5930	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	122.4135	0.176	4	122.4135	0.031	4	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	122.4848	0.317	18	122.4848	0.101	18	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(COS)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCO)(COS)(H)	120.9660	0.000	1	120.9660	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]C[6a])(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]C[6a])(CCO)(H)	121.9120	0.000	1	121.9120	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C)(CCO)(H)	122.5796	0.676	15	122.5796	0.457	15	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C[6])(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C[6])(CCO)(H)	123.3810	0.000	1	123.3810	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCC)(CCO)(H)	123.0869	0.790	16	123.0869	0.624	16	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCO)(CCP)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCO)(CCP)(H)	124.2760	0.000	1	124.2760	0.000	1	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	124.3120	0.297	2	124.3120	0.088	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CCO)(CNO)(H)	124.9545	1.070	2	124.9545	1.145	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	125.8670	0.536	2	125.8670	0.287	2	122.5984	1.722	203	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC3)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	120.3300	0.311	2	120.3300	0.097	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.8303	1.404	3	121.8303	1.971	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.8650	0.000	1	122.8650	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	122.9160	0.000	1	122.9160	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.5358	0.512	9	121.5358	0.262	9	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.5652	0.709	6	122.5652	0.502	6	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	122.8360	0.820	3	122.8360	0.673	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.9313	0.700	4	122.9313	0.490	4	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	123.3470	0.874	3	123.3470	0.764	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.2633	0.905	3	122.2633	0.820	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.4267	0.680	3	122.4267	0.462	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6]HH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	122.6270	0.000	1	122.6270	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6a]2O)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	122.7525	0.450	2	122.7525	0.203	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.8660	0.000	1	121.8660	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.6497	0.643	4	121.6497	0.414	4	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.4098	0.320	4	122.4098	0.102	4	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	122.1375	0.800	2	122.1375	0.640	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	121.4788	0.985	6	121.4788	0.970	6	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	121.9160	0.717	2	121.9160	0.514	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	123.9329	0.754	34	123.9329	0.569	34	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	123.0970	0.157	2	123.0970	0.025	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	123.2260	0.000	1	123.2260	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NCC)(H)	125.0370	0.330	3	125.0370	0.109	3	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NCH)(H)	123.2707	0.802	12	123.2707	0.643	12	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	123.6713	0.375	8	123.6713	0.141	8	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	O(CCN)	N(CCO)(NHP)(H)	123.9170	0.000	1	123.9170	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	123.8305	0.340	2	123.8305	0.116	2	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CN[6]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	122.8240	0.000	1	122.8240	0.000	1	122.9837	1.375	124	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:S-3:H-1:	C(CC[6a]FH)(NHS)(O)	O(CCN)	N(CCO)(SCO)(H)	C(CC[6a]FH)(NHS)(O)	O(CCN)	N(CCO)(SCO)(H)	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[3x6]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[3x6]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	120.9930	0.362	2	120.9930	0.131	2	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(CC[5a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]S[5a])(CCO)(H)	121.8390	0.980	3	121.8390	0.960	3	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]2H)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]2H)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.7900	0.000	1	121.7900	0.000	1	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]CH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]CH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.7905	0.104	2	121.7905	0.011	2	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	123.3970	0.000	1	123.3970	0.000	1	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]2)(CCO)(H)	123.2218	0.419	8	123.2218	0.176	8	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(CCO)(H)	122.0040	0.000	1	122.0040	0.000	1	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.8583	0.238	9	121.8583	0.057	9	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CN[5a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	C(CN[5a]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]2)(CCO)(H)	124.6540	0.000	1	124.6540	0.000	1	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(CN[6]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CN[6]HH)(NC[5a]H)(O)	O(CCN)	N(C[5a]N[5a]S[5a])(CCO)(H)	121.3345	0.254	2	121.3345	0.064	2	122.2699	0.892	30	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(CC[6a]CO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	C(CC[6a]CO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2)(CCO)(H)	125.9280	0.000	1	125.9280	0.000	1	125.9280	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[3]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[3]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.6050	0.000	2	123.6050	0.000	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[4]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	122.7657	0.148	3	122.7657	0.022	3	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[4]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	121.9310	0.000	1	121.9310	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.8575	0.016	2	123.8575	0.000	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	126.9170	0.000	1	126.9170	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.6178	0.521	4	124.6178	0.271	4	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]C[6a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.7490	0.000	1	123.7490	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.9400	0.000	1	122.9400	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.5544	0.915	8	123.5544	0.837	8	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]N[6]H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]N[6]H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	121.4795	0.112	2	121.4795	0.013	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.6013	1.760	6	122.6013	3.098	6	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.8927	0.749	3	122.8927	0.561	3	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.0290	0.000	1	123.0290	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.9500	1.670	3	122.9500	2.787	3	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.1450	0.547	6	123.1450	0.300	6	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2O)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.1810	0.000	1	124.1810	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]3)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]3)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.5287	0.678	13	122.5287	0.460	13	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CC)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CC)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.5074	0.495	5	123.5074	0.245	5	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.4440	0.000	1	125.4440	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.5911	0.790	11	122.5911	0.625	11	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.9392	0.823	9	124.9392	0.678	9	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[6]H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C[6]H)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.4070	0.000	1	123.4070	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]ClH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]ClH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.0885	0.884	4	125.0885	0.782	4	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FF)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.8250	0.431	2	125.8250	0.186	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]FH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	125.6140	0.000	1	125.6140	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	123.8415	0.190	2	123.8415	0.036	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	123.3990	0.000	1	123.3990	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.2456	0.533	24	123.2456	0.284	24	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	123.9183	0.250	3	123.9183	0.062	3	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]N[6a]2)(CCO)(H)	118.3870	0.000	1	118.3870	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HN)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HN)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.9460	0.024	2	124.9460	0.001	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]HO)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HO)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.7485	0.934	6	124.7485	0.872	6	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	124.2562	0.651	13	124.2562	0.424	13	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.5740	0.000	1	123.5740	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.4533	1.794	21	124.4533	3.220	21	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5]PdH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]PdH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.7997	0.439	3	122.7997	0.192	3	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	120.9120	0.000	1	120.9120	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	124.8087	0.980	6	124.8087	0.961	6	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[5a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.5035	0.279	2	124.5035	0.078	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[6,6]CC)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6,6]CC)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	123.6535	0.766	2	123.6535	0.586	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.1170	0.000	1	125.1170	0.000	1	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	124.9193	1.090	4	124.9193	1.189	4	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	125.0645	0.145	2	125.0645	0.021	2	123.7273	1.844	187	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CCHH)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	121.9675	0.131	2	121.9675	0.017	2	122.4961	1.083	7	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CCHN)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	124.2400	0.000	1	124.2400	0.000	1	122.4961	1.083	7	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CC[3x6]HH)(NHN)(O)	O(CCN)	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	O(CCN)	N(NSnC)(CCO)(H)	121.9530	0.629	2	121.9530	0.396	2	122.4961	1.083	7	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	121.7440	0.000	1	121.7440	0.000	1	122.4961	1.083	7	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	O(CCN)	N(NC[6]H)(CCO)(H)	123.6480	0.000	1	123.6480	0.000	1	122.4961	1.083	7	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(CC[5a]HH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[5a]HH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	122.6995	1.201	2	122.6995	1.443	2	122.0817	1.091	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(CC[6a]2O)(NN[5]H)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[6a]2O)(NN[5]H)(O)	O(CCN)	N(N[5]C[5,6]C[5])(CCO)(H)	123.1210	0.000	1	123.1210	0.000	1	122.0817	1.091	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(CC[6a]CH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]CH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	121.5925	0.088	2	121.5925	0.008	2	122.0817	1.091	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(CC[6a]HH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]HH)(NN[5]H)(O)	O(CCN)	N(N[5]C[5]2)(CCO)(H)	120.7850	0.000	1	120.7850	0.000	1	122.0817	1.091	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N[6a]-3:C-3:H-1:	C(CC[6a]CH)(NN[6a]H)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NN[6a]H)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)(H)	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	P-3:C-3:H-1:	C(CH3)(NHP)(O)	O(CCN)	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	O(CCN)	N(PC[6a]2)(CCO)(H)	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3,5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	O(CC[3,5]N)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	O(CC[3,5]N)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CNS)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CNS)(H)	122.9210	0.242	2	122.9210	0.058	2	122.9210	0.058	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[5a]H)(O)	O(CC[3]N)	N(C[5a]C[5a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	O(CC[3]N)	N(C[5a]C[5a]2)(CC[3]O)(H)	122.5490	0.000	1	122.5490	0.000	1	121.7580	1.251	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[5a]H)(O)	O(CC[3]N)	N(C[5a]N[5a]S[5a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	O(CC[3]N)	N(C[5a]N[5a]S[5a])(CC[3]O)(H)	120.9670	0.000	1	120.9670	0.000	1	121.7580	1.251	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	124.9380	0.584	2	124.9380	0.341	2	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2C)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2C)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	123.6585	0.513	11	123.6585	0.263	11	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2F)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2F)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	126.1120	0.000	1	126.1120	0.000	1	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	123.1120	0.000	1	123.1120	0.000	1	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	123.2355	0.597	4	123.2355	0.356	4	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	123.3847	1.005	13	123.3847	1.011	13	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	122.3573	0.230	3	122.3573	0.053	3	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	124.8770	0.000	1	124.8770	0.000	1	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	125.3810	0.388	10	125.3810	0.151	10	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	122.6560	0.000	1	122.6560	0.000	1	123.9298	1.363	47	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x4,3x6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CNO)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CNO)(H)	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCH)(H)	120.7290	0.000	1	120.7290	0.000	1	121.0033	0.170	3	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CNS)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CNS)(H)	121.1405	0.477	2	121.1405	0.228	2	121.0033	0.170	3	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[3x6]C[6,6]3)(NHN)(O)	O(CC[3x6]N)	N(CC[3x6]O)(NHH)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	O(CC[3x6]N)	N(CC[3x6]O)(NHH)(H)	121.0198	0.504	4	121.0198	0.254	4	121.0198	0.254	4	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	122.0030	0.496	2	122.0030	0.246	2	122.0361	2.026	14	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	121.6969	1.615	8	121.6969	2.607	8	122.0361	2.026	14	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	122.8783	1.538	3	122.8783	2.367	3	122.0361	2.026	14	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[3x6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	O(CC[3x6]N)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	122.2900	0.000	1	122.2900	0.000	1	122.0361	2.026	14	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[4]C[4]2H)(NHN)(O)	O(CC[4]N)	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	O(CC[4]N)	N(CC[4]O)(NCH)(H)	120.9057	2.179	3	120.9057	4.747	3	120.9057	4.747	3	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	122.1380	0.000	1	122.1380	0.000	1	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4]2C)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2C)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	122.1577	0.311	3	122.1577	0.097	3	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	122.5130	0.000	1	122.5130	0.000	1	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	123.0479	0.952	9	123.0479	0.907	9	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[4]O)(H)	123.4540	0.705	5	123.4540	0.497	5	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	124.8850	0.000	1	124.8850	0.000	1	123.0355	0.901	20	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[4]-4:N-3:O-1:	C-3:	N[4]-3:C-3:H-1:	C(C[4]C[4]2H)(NN[4]H)(O)	O(CC[4]N)	N(N[4]C[4]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NN[4]H)(O)	O(CC[4]N)	N(N[4]C[4]2)(CC[4]O)(H)	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5,5,6]-4:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	O(CC[5,5,6]N)	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	O(CC[5,5,6]N)	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	123.1730	0.000	1	123.1730	0.000	1	123.1730	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	122.1467	1.668	3	122.1467	2.784	3	122.8232	4.528	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	120.7280	0.000	1	120.7280	0.000	1	122.8232	4.528	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	123.7020	0.000	1	123.7020	0.000	1	122.8232	4.528	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	O(CC[5,6]N)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	126.0690	0.000	1	126.0690	0.000	1	122.8232	4.528	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNS)(H)	122.1086	0.599	10	122.1086	0.359	10	122.9904	3.115	26	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNN)(H)	124.8410	0.424	7	124.8410	0.180	7	122.9904	3.115	26	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5]S[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNO)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CNO)(H)	123.0113	1.824	8	123.0113	3.329	8	122.9904	3.115	26	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5]C[5]S[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CN[6]O)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CN[6]O)(H)	118.6870	0.000	1	118.6870	0.000	1	122.9904	3.115	26	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5]C[5]2Fe)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]2Fe)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	121.9170	0.000	1	121.9170	0.000	1	122.7925	1.533	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5]C[5]N[5]H)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5]H)(NHN)(O)	O(CC[5]N)	N(CC[5]O)(NCH)(H)	123.6680	0.000	1	123.6680	0.000	1	122.7925	1.533	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:S-3:H-1:	C(C[5]C[5]N[5]H)(NHS)(O)	O(CC[5]N)	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	O(CC[5]N)	N(CC[5]O)(SCO)(H)	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	121.1640	0.000	1	121.1640	0.000	1	122.7462	1.075	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]2)(CC[5]O)(H)	123.8160	0.000	1	123.8160	0.000	1	122.7462	1.075	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	122.5070	0.150	2	122.5070	0.022	2	122.7462	1.075	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]N[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	O(CC[5]N)	N(C[5a]N[5a]2)(CC[5]O)(H)	123.2415	1.049	2	123.2415	1.100	2	122.7462	1.075	6	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]2Co)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	122.8830	0.000	1	122.8830	0.000	1	123.6027	0.865	13	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2)(CC[5]O)(H)	123.3380	0.365	2	123.3380	0.133	2	123.6027	0.865	13	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]N[6])(CC[5]O)(H)	123.3065	0.504	2	123.3065	0.254	2	123.6027	0.865	13	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2)(CC[5]O)(H)	123.8329	1.117	8	123.8329	1.248	8	123.6027	0.865	13	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	122.4450	1.377	2	122.4450	1.897	2	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.5020	0.153	2	125.5020	0.023	2	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.7900	0.000	1	123.7900	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.9750	0.000	1	125.9750	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.3560	0.000	1	123.3560	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.6520	0.000	1	125.6520	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.2810	0.000	1	125.2810	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.6095	1.054	8	123.6095	1.111	8	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	123.4160	0.785	2	123.4160	0.616	2	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.5990	0.558	3	123.5990	0.311	3	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	122.6100	0.000	1	122.6100	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	123.1171	0.536	8	123.1171	0.287	8	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.3787	0.949	8	123.3787	0.900	8	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	122.6410	0.000	1	122.6410	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.1520	0.000	1	124.1520	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2O)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.0460	0.000	1	124.0460	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	124.6971	0.691	10	124.6971	0.477	10	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	124.8475	0.125	2	124.8475	0.016	2	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.9714	1.428	62	123.9714	2.038	62	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	124.3052	0.986	13	124.3052	0.972	13	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	124.9010	0.000	1	124.9010	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.5312	0.913	8	125.5312	0.833	8	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.7610	0.000	1	123.7610	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.7410	0.000	1	123.7410	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	121.2490	0.000	1	121.2490	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	123.3370	0.267	2	123.3370	0.071	2	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5]S[5]2C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]S[5]2C)(NC[6a]H)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	125.3890	0.000	1	125.3890	0.000	1	124.0326	1.654	144	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	122.4660	0.000	1	122.4660	0.000	1	123.1075	0.823	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	123.7490	0.000	1	123.7490	0.000	1	123.1075	0.823	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CN[6]S)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CN[6]S)(H)	120.5660	0.000	1	120.5660	0.000	1	122.1458	0.952	5	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CNN)(H)	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CNN)(H)	122.0400	0.000	1	122.0400	0.000	1	122.1458	0.952	5	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CNS)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CNS)(H)	122.2400	0.000	1	122.2400	0.000	1	122.1458	0.952	5	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6]C[6]O[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCH)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCH)(H)	122.9415	0.156	2	122.9415	0.024	2	122.1458	0.952	5	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NCH)(H)	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	O(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	O(CC[6]N)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	121.7455	0.681	2	121.7455	0.464	2	121.7455	0.464	2	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	121.6630	0.000	1	121.6630	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	123.8850	0.000	1	123.8850	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	122.2240	0.000	1	122.2240	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	123.0880	0.307	2	123.0880	0.094	2	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	121.7920	0.000	1	121.7920	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	122.4293	0.761	3	122.4293	0.579	3	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	123.4225	0.654	12	123.4225	0.427	12	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	123.2570	0.000	1	123.2570	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	124.3372	1.381	10	124.3372	1.908	10	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(H)	124.0070	0.000	1	124.0070	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	O(CC[6]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	125.9110	0.000	1	125.9110	0.000	1	123.5484	1.458	34	123.2189	2.038	902	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:2:	C-4:N-3:O-1:	C-3:	C-3:C-3:N-2:	C(CH3)(NCN)(O)	O(CCN)	N(CCC)(CCO)(NC)	C(CH3)(NCN)(O)	O(CCN)	N(CCC)(CCO)(NC)	118.5440	0.974	2	118.5440	0.949	2	118.5440	0.949	2	120.0230	3.237	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:2:	C-4:N-3:O-1:	C-3:	C-3:C-3:O-2:	C(CH3)(NCO)(O)	O(CCN)	N(CCO)(CNO)(OC)	C(CH3)(NCO)(O)	O(CCN)	N(CCO)(CNO)(OC)	121.5020	0.103	2	121.5020	0.011	2	121.5020	0.011	2	120.0230	3.237	4	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(CCHO)(NCN)(O)	O(CCN)	N(CC[6a]O)(CCO)(NCC)	C(CCHO)(NCN)(O)	O(CCN)	N(CC[6a]O)(CCO)(NCC)	119.0405	0.259	4	119.0405	0.067	4	118.9177	0.302	12	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(CH3)(NCN)(O)	O(CCN)	N(CCO)2(NCC)	C(CH3)(NCN)(O)	O(CCN)	N(CCO)2(NCC)	118.8860	0.769	6	118.8860	0.592	6	118.9177	0.302	12	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(CHHO)(NCN)(O)	O(CCN)	N(CCO)2(NCC)	C(CHHO)(NCN)(O)	O(CCN)	N(CCO)2(NCC)	118.7670	0.216	2	118.7670	0.047	2	118.9177	0.302	12	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[3]CH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[3]CH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	120.1275	0.206	2	120.1275	0.042	2	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[5a]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[5a]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	122.2090	0.000	1	122.2090	0.000	1	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6]CH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[6]CH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.0705	0.576	2	123.0705	0.332	2	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6]HO)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[6]HO)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.0075	0.125	2	123.0075	0.016	2	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	121.0240	0.501	2	121.0240	0.251	2	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]HO)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]HO)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.1350	0.000	1	123.1350	0.000	1	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(CN[5]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	C(CN[5]HH)(NC[6a]2)(O)	O(CCN)	N(C[6a]C[6a]2)2(CCO)	123.4430	0.000	1	123.4430	0.000	1	122.1133	1.715	11	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[3]C[3]2H)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)2	C(C[3]C[3]2H)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)2	119.1580	2.157	2	119.1580	4.651	2	119.9610	3.523	4	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	119.4720	0.000	1	119.4720	0.000	1	119.9610	3.523	4	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	122.0560	0.000	1	122.0560	0.000	1	119.9610	3.523	4	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[5]-4:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[6a]O)2(CC[5]O)	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[6a]O)2(CC[5]O)	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]2Fe)(NC[6a]2)(O)	O(CC[5]N)	N(C[6a]C[6a]2)2(CC[5]O)	C(C[5]C[5]2Fe)(NC[6a]2)(O)	O(CC[5]N)	N(C[6a]C[6a]2)2(CC[5]O)	122.4160	0.000	1	122.4160	0.000	1	122.0422	0.068	6	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]2H)(NC[6a]2)(O)	O(CC[5]N)	N(C[6a]C[6a]2)2(CC[5]O)	C(C[5]C[5]2H)(NC[6a]2)(O)	O(CC[5]N)	N(C[6a]C[6a]2)2(CC[5]O)	121.9674	0.208	5	121.9674	0.043	5	122.0422	0.068	6	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:3:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	119.0590	0.000	1	119.0590	0.000	1	119.0590	0.000	1	120.6161	3.153	35	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[3]C[3]2H)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C(C[3]C[3]2H)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[3x4,3x6]-4:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(NCC)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)2(CCHH)	C(C[3x4,3x6]C[3x4,3x6]3)(NCC)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)2(CCHH)	120.6000	0.768	2	120.6000	0.590	2	120.6000	0.590	2	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[3x6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[3x6]C[6,6]3)(NC[6a]C)(O)	O(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C(C[3x6]C[6,6]3)(NC[6a]C)(O)	O(CC[3x6]N)	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	118.2240	0.197	2	118.2240	0.039	2	118.2240	0.039	2	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[4,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[4,6]C[4,6]C[4]O[6])(NC[6a]C)(O)	O(CC[4,6]N)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C(C[4,6]C[4,6]C[4]O[6])(NC[6a]C)(O)	O(CC[4,6]N)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	123.1123	0.162	3	123.1123	0.026	3	123.1123	0.026	3	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[4]C[4]2H)(NC[6a]C)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C(C[4]C[4]2H)(NC[6a]C)(O)	O(CC[4]N)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5,5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5,5]C[5,5]N[5]2)(NC[6a]C)(O)	O(CC[5,5]N)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]N[5]2)(NC[6a]C)(O)	O(CC[5,5]N)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5,5]C[5]H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	120.0720	0.000	1	120.0720	0.000	1	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2C)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(C[5]C[5]2C)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	119.6180	0.000	1	119.6180	0.000	1	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2Fe)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(C[5]C[5]2Fe)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	120.7477	0.738	3	120.7477	0.545	3	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(C[5]C[5]2H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	121.5108	0.382	4	121.5108	0.146	4	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]N[5]H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C(C[5]C[5]N[5]H)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	121.6052	0.561	4	121.6052	0.315	4	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[5]S[5]2C)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C(C[5]S[5]2C)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	122.1375	0.496	2	122.1375	0.246	2	121.2448	0.706	15	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[6]-4:N-3:O-1:	C-3:	C-3:C-3:C-4:	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)2(CCHH)	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)2(CCHH)	119.6520	0.231	2	119.6520	0.053	2	119.6520	0.053	2	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	116.8330	0.000	1	116.8330	0.000	1	119.7520	5.184	4	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:3:4:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6]C[6]2H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C(C[6]C[6]2H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	120.7250	1.448	3	120.7250	2.096	3	119.7520	5.184	4	120.8169	2.200	31	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3,4,5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	O(CC[3,4,5]N)	N(CC[3,4,5]O)(CC3)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	O(CC[3,4,5]N)	N(CC[3,4,5]O)(CC3)(H)	124.2332	0.422	4	124.2332	0.178	4	123.6688	0.554	8	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3,4,5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	O(CC[3,4,5]N)	N(CC[3,4,5]O)(CCCH)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	O(CC[3,4,5]N)	N(CC[3,4,5]O)(CCCH)(H)	123.1043	0.514	4	123.1043	0.264	4	123.6688	0.554	8	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3,5,5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3,5,5]C[3,5]2C[5,5])(NCH)(O)	O(CC[3,5,5]N)	N(CC[3,5,5]O)(CH3)(H)	C(C[3,5,5]C[3,5]2C[5,5])(NCH)(O)	O(CC[3,5,5]N)	N(CC[3,5,5]O)(CH3)(H)	122.5560	0.000	1	122.5560	0.000	1	122.5560	0.000	1	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3,5]C[3]H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(H)	C(C[3]C[3,5]C[3]H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(H)	128.2690	1.823	2	128.2690	3.323	2	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2C)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2C)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	120.8920	0.178	2	120.8920	0.032	2	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CC3)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CC3)(H)	124.5833	0.200	3	124.5833	0.040	3	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	122.1100	0.467	2	122.1100	0.218	2	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)(H)	122.9290	0.000	1	122.9290	0.000	1	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	122.9388	0.747	14	122.9388	0.558	14	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(H)	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(H)	122.3535	0.400	2	122.3535	0.160	2	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2O)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2O)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)(H)	123.4620	0.000	1	123.4620	0.000	1	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]N[3]H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]N[3]H)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	124.3325	0.260	4	124.3325	0.068	4	123.4149	2.922	31	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3x4,3x6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CCHH)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CCHH)(H)	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCCH)(H)	121.8600	0.000	1	121.8600	0.000	1	121.1795	0.273	4	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[3x6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCHH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	O(CC[3x6]N)	N(CC[3x6]O)(CCHH)(H)	120.9527	0.318	3	120.9527	0.101	3	121.1795	0.273	4	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4,5,6]C[4,5]C[4,6]N[5,6])(NCH)(O)	O(CC[4,5,6]N)	N(CC[4,5,6]O)(CCHH)(H)	C(C[4,5,6]C[4,5]C[4,6]N[5,6])(NCH)(O)	O(CC[4,5,6]N)	N(CC[4,5,6]O)(CCHH)(H)	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4,6]C[4,6]2O[6])(NCH)(O)	O(CC[4,6]N)	N(CC[4,6]O)(CCCH)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	O(CC[4,6]N)	N(CC[4,6]O)(CCCH)(H)	124.7187	0.689	6	124.7187	0.475	6	124.7187	0.475	6	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2C)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2C)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	123.2895	1.771	2	123.2895	3.138	2	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2H)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2H)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	121.9075	0.629	2	121.9075	0.395	2	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2N)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2N)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	122.3148	0.951	4	122.3148	0.905	4	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2N)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CH3)(H)	C(C[4]C[4]2N)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CH3)(H)	123.2036	0.698	5	123.2036	0.488	5	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2N[5])(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2N[5])(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	123.5870	0.000	1	123.5870	0.000	1	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]2O)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CC3)(H)	C(C[4]C[4]2O)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CC3)(H)	126.2580	0.000	1	126.2580	0.000	1	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]C[4]N[4]C)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]N[4]C)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCCH)(H)	123.5170	0.624	2	123.5170	0.389	2	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4]N[6,6]C[4]2)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	C(C[4]N[6,6]C[4]2)(NCH)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)(H)	123.0890	0.000	1	123.0890	0.000	1	123.0911	1.446	18	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[4x6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[4x6]C[4x6]2C[6,6])(NCH)(O)	O(CC[4x6]N)	N(CC[4x6]O)(CCHH)(H)	C(C[4x6]C[4x6]2C[6,6])(NCH)(O)	O(CC[4x6]N)	N(CC[4x6]O)(CCHH)(H)	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CC[6a]CH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CC[6a]CH)(H)	122.4160	0.000	1	122.4160	0.000	1	123.7304	0.349	10	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)(H)	123.2050	0.000	1	123.2050	0.000	1	123.7304	0.349	10	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)(H)	123.4630	0.000	1	123.4630	0.000	1	123.7304	0.349	10	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5,6]C[5,6]2N[5,5])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCHH)(H)	C(C[5,5,6]C[5,6]2N[5,5])(NCH)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCHH)(H)	124.0314	0.268	7	124.0314	0.072	7	123.7304	0.349	10	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5]C[5,5]C[5]2)(NCH)(O)	O(CC[5,5]N)	N(CC[5,5]O)(CH3)(H)	C(C[5,5]C[5,5]C[5]2)(NCH)(O)	O(CC[5,5]N)	N(CC[5,5]O)(CH3)(H)	124.9945	0.456	2	124.9945	0.208	2	124.9920	0.104	3	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,5]C[5,6a]N[5,5]C[5])(NCH)(O)	O(CC[5,5]N)	N(CC[5,5]O)(CC3)(H)	C(C[5,5]C[5,6a]N[5,5]C[5])(NCH)(O)	O(CC[5,5]N)	N(CC[5,5]O)(CC3)(H)	124.9870	0.000	1	124.9870	0.000	1	124.9920	0.104	3	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCCH)(H)	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCCH)(H)	121.1220	0.000	1	121.1220	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	124.1650	0.000	1	124.1650	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]N[5,5,6]H)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	125.2900	0.000	1	125.2900	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6]2C[5])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]2C[5])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	121.6560	0.000	1	121.6560	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CCHH)(H)	122.3360	0.739	4	122.3360	0.546	4	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CH3)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CH3)(H)	121.9182	0.152	5	121.9182	0.023	5	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	125.3290	0.000	1	125.3290	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[5,6]O)(CC3)(H)	123.9950	0.000	1	123.9950	0.000	1	122.6995	1.881	15	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,5,6]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,5,6]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.7690	0.636	2	124.7690	0.405	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6,6]N[5,5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6,6]N[5,5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.1590	0.000	1	124.1590	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	122.5920	0.173	2	122.5920	0.030	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]Mo)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]Mo)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.0550	0.000	1	124.0550	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	122.6120	0.000	1	122.6120	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[5]N[4])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]N[4])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	122.3740	0.000	1	122.3740	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	123.1560	0.000	1	123.1560	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	126.8530	0.000	1	126.8530	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]N[5]O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5]O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	125.3855	2.538	2	125.3855	6.440	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	123.7460	0.000	1	123.7460	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	122.4845	1.936	4	122.4845	3.748	4	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	121.2423	1.280	45	121.2423	1.639	45	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	122.0915	0.982	37	122.0915	0.965	37	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	122.7082	0.882	4	122.7082	0.777	4	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(H)	122.8670	0.000	1	122.8670	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	122.2850	0.687	18	122.2850	0.471	18	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	121.9529	0.995	10	121.9529	0.991	10	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.5730	0.000	1	123.5730	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CHHS)(H)	123.9590	0.291	2	123.9590	0.085	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Mo)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Mo)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.3540	0.532	2	124.3540	0.283	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2N)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2N)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	122.4771	0.874	24	122.4771	0.764	24	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	125.7780	0.000	1	125.7780	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Re)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Re)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	121.6275	1.292	6	121.6275	1.668	6	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Ru)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Ru)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	120.4780	0.000	1	120.4780	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Ru)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Ru)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	122.8320	0.987	4	122.8320	0.974	4	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.7440	0.137	2	124.7440	0.019	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	122.3370	0.000	1	122.3370	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	123.4330	0.000	1	123.4330	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.1090	1.214	22	124.1090	1.475	22	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	123.0243	0.916	57	123.0243	0.839	57	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.2969	0.817	27	123.2969	0.667	27	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHN)(H)	123.1850	0.000	1	123.1850	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	122.8420	0.774	5	122.8420	0.599	5	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	124.5080	0.000	1	124.5080	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	125.6170	0.462	2	125.6170	0.214	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	123.0050	0.000	1	123.0050	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]N)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]N)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(H)	125.6180	0.000	1	125.6180	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]O[5]O)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	124.8950	0.000	1	124.8950	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	124.4620	0.000	1	124.4620	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.9355	0.390	2	123.9355	0.152	2	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[6a]C[5]N[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]N[5])(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CC3)(H)	123.9810	0.662	3	123.9810	0.439	3	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]N[5,5]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	124.1640	0.000	1	124.1640	0.000	1	122.7125	1.939	302	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6,6]C[3x6]2N)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CC3)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CC3)(H)	123.5260	0.000	1	123.5260	0.000	1	122.0294	0.990	7	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6,6]C[3x6]2N)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)(H)	122.3247	0.107	3	122.3247	0.011	3	122.0294	0.990	7	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6,6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]C[6,6]H)(NCH)(O)	O(CC[6,6]N)	N(CC[6,6]O)(CCCH)(H)	121.2353	0.873	3	121.2353	0.762	3	122.0294	0.990	7	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	124.8530	0.072	2	124.8530	0.005	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[3,6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.3385	0.501	2	125.3385	0.251	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.2570	0.000	1	125.2570	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.3700	0.935	2	125.3700	0.874	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	124.9800	0.000	1	124.9800	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.4090	0.000	1	125.4090	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	122.6670	0.000	1	122.6670	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	124.6055	0.218	2	124.6055	0.048	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	123.4860	0.000	1	123.4860	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.5970	0.000	1	125.5970	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6,6a]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	123.9850	0.000	1	123.9850	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	124.8340	0.096	2	124.8340	0.009	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	121.1990	0.000	1	121.1990	0.000	1	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	119.4061	1.317	11	119.4061	1.735	11	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	121.4855	1.370	22	121.4855	1.878	22	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	121.3099	0.252	7	121.3099	0.064	7	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	122.1067	0.926	3	122.1067	0.858	3	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	122.8978	0.565	5	122.8978	0.319	5	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	121.6287	0.452	6	121.6287	0.205	6	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2O)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2O)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	123.0913	1.183	4	123.0913	1.399	4	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	125.8960	0.531	3	125.8960	0.281	3	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CC3)(H)	124.4543	1.164	6	124.4543	1.355	6	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCCH)(H)	123.1060	0.765	2	123.1060	0.585	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	122.0587	0.404	3	122.0587	0.163	3	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	122.4745	1.047	2	122.4745	1.097	2	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:1:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]O[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]O[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CH3)(H)	121.9490	1.416	3	121.9490	2.006	3	122.4047	4.085	95	122.7534	2.485	503	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:2:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[4]C[4]2H)(NCO)(O)	O(CC[4]N)	N(CC[4]O)(CH3)(OC)	C(C[4]C[4]2H)(NCO)(O)	O(CC[4]N)	N(CC[4]O)(CH3)(OC)	121.2455	0.501	2	121.2455	0.251	2	121.2455	0.251	2	122.0922	0.666	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:N-2:	C(C[5]C[5]N[5]H)(NCN)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(NC)	C(C[5]C[5]N[5]H)(NCN)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(NC)	122.1530	0.267	4	122.1530	0.071	4	122.1530	0.071	4	122.0922	0.666	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[5]C[5]2O)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	C(C[5]C[5]2O)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	123.9190	0.000	1	123.9190	0.000	1	122.5757	1.358	3	122.0922	0.666	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[5]C[5]O[5]C)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	C(C[5]C[5]O[5]C)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	121.8360	0.000	1	121.8360	0.000	1	122.5757	1.358	3	122.0922	0.666	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[5]C[5]O[5]H)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	C(C[5]C[5]O[5]H)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	121.9720	0.000	1	121.9720	0.000	1	122.5757	1.358	3	122.0922	0.666	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[5a]O)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[5a]O)(CCHH)(CCO)	121.2320	0.000	1	121.2320	0.000	1	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	121.9490	0.000	1	121.9490	0.000	1	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]C)(CH3)(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]C)(CH3)(CCO)	121.0317	0.116	3	121.0317	0.014	3	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CClCH)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	C(CClCH)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	122.5370	0.000	1	122.5370	0.000	1	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5a]O)(CC3)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5a]O)(CC3)(CCO)	123.0120	0.048	2	123.0120	0.002	2	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]C)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]C)(CCHH)(CCO)	120.1840	0.000	1	120.1840	0.000	1	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]O)(CCHH)(CCO)	119.9735	0.339	2	119.9735	0.115	2	121.3607	1.290	11	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[3]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C(CC[3]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	120.5083	0.250	3	120.5083	0.063	3	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6]CC)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6]CC)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	119.2220	0.000	1	119.2220	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.8150	0.000	1	121.8150	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]2H)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(CC[6a]2H)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	121.6610	0.000	1	121.6610	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]CH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]CH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.3540	0.000	1	121.3540	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]ClH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(CC[6a]ClH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	122.9080	0.000	1	122.9080	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]FN)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]FN)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	124.3295	0.243	2	124.3295	0.059	2	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.8110	0.062	2	121.8110	0.004	2	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]HO)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]HO)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	123.0330	0.287	2	123.0330	0.082	2	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CN[5]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[5]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.3480	0.000	1	122.3480	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CN[5]PdH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[5]PdH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	121.2830	0.000	1	121.2830	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CN[5a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(CN[5a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	123.9140	0.000	1	123.9140	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CN[5a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[5a]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.2680	0.000	1	122.2680	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(CN[6]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[6]HH)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CH3)(CCO)	122.4310	0.000	1	122.4310	0.000	1	122.0566	1.867	19	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(CC[5a]C[6a]H)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[5a]C[6a]H)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.8770	0.066	4	120.8770	0.004	4	120.6664	0.353	8	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]2H)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]2H)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.4980	0.000	2	120.4980	0.000	2	120.6664	0.353	8	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]CH)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	121.4380	0.000	1	121.4380	0.000	1	120.6664	0.353	8	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]CS)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CS)(NC[6a]S)(O)	O(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	119.3890	0.000	1	119.3890	0.000	1	120.6664	0.353	8	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[3]C[3]O[3]Cl)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C(C[3]C[3]O[3]Cl)(NC[6a]C)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	124.7050	0.000	1	124.7050	0.000	1	124.7050	0.000	1	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[4]-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[4]C[4]2H)(NC[6a]C)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C(C[4]C[4]2H)(NC[6a]C)(O)	O(CC[4]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	121.5557	0.255	3	121.5557	0.065	3	121.5557	0.065	3	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[5]C[5]N[5]H)(NCN)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(NHH)	C(C[5]C[5]N[5]H)(NCN)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(NHH)	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[5]-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(C[5]C[5]2Fe)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C(C[5]C[5]2Fe)(NC[6a]C)(O)	O(CC[5]N)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6]C[6]2C)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(CCH)	C(C[6]C[6]2C)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(CCH)	120.0510	0.000	1	120.0510	0.000	1	119.2525	1.275	2	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:3:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(CHO)	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(CHO)	118.4540	0.000	1	118.4540	0.000	1	119.2525	1.275	2	121.4787	1.893	46	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3,5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(NCC)(O)	O(CC[3,5]N)	N(CC[3,5]O)(CCHH)2	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(NCC)(O)	O(CC[3,5]N)	N(CC[3,5]O)(CCHH)2	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3,5,6]2F)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CH3)2	C(C[3]C[3,5,6]2F)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CH3)2	123.5110	0.000	1	123.5110	0.000	1	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3,5]2C[6a])(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[3,5]2C[6a])(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	122.0390	0.424	2	122.0390	0.180	2	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3,5]O[3]H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[3,5]O[3]H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	123.3435	0.233	2	123.3435	0.054	2	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3,6]C[3]H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[3,6]C[3]H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	123.1600	0.000	1	123.1600	0.000	1	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3]2C)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)2	C(C[3]C[3]2C)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)2	121.9680	0.000	1	121.9680	0.000	1	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3]2C)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[3]2C)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	120.7060	0.000	1	120.7060	0.000	1	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[3]2H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[3]2H)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	121.4550	0.000	1	121.4550	0.000	1	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(CH3)	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(CH3)	122.2157	0.419	3	122.2157	0.175	3	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)2	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)2	122.4467	0.433	3	122.4467	0.188	3	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[3]O)(CCHH)2	121.0620	0.234	3	121.0620	0.055	3	122.1521	0.779	18	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[3x4,3x6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(NCC)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CCCH)2	C(C[3x4,3x6]C[3x4,3x6]3)(NCC)(O)	O(CC[3x4,3x6]N)	N(CC[3x4,3x6]O)(CCCH)2	122.6314	0.284	12	122.6314	0.080	12	122.6314	0.080	12	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[4,6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[4,6]C[4,6]C[4]C[6])(NCC)(O)	O(CC[4,6]N)	N(CC[4,6]O)(CCHH)2	C(C[4,6]C[4,6]C[4]C[6])(NCC)(O)	O(CC[4,6]N)	N(CC[4,6]O)(CCHH)2	121.3277	0.670	4	121.3277	0.449	4	121.3277	0.449	4	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[4]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[4]C[4]2H)(NCC)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)2	C(C[4]C[4]2H)(NCC)(O)	O(CC[4]N)	N(CC[4]O)(CCHH)2	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5,5,6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)2	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(O)	O(CC[5,5,6]N)	N(CC[5,5,6]O)(CCCH)2	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5,5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	C(C[5]C[5,5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	123.6930	0.000	1	123.6930	0.000	1	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)2	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)2	122.2722	0.869	5	122.2722	0.755	5	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)2	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)2	119.4900	0.000	1	119.4900	0.000	1	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	C(C[5]C[5]2Fe)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	121.6890	0.000	1	121.6890	0.000	1	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(CH3)	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(CH3)	121.6445	0.677	2	121.6445	0.458	2	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CH3)2	122.0130	0.000	1	122.0130	0.000	1	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CSiHH)(CH3)	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CSiHH)(CH3)	120.0870	1.126	5	120.0870	1.267	5	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CSiHH)2	C(C[5]C[5]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[5]O)(CSiHH)2	119.7380	0.000	1	119.7380	0.000	1	121.2769	2.060	17	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6,6]C[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	C(C[6]C[6,6]C[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	121.9560	0.000	1	121.9560	0.000	1	122.2046	0.802	7	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)2	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CH3)2	121.5877	0.480	3	121.5877	0.231	3	122.2046	0.802	7	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]N[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CHHN)(CH3)	C(C[6]C[6]N[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CHHN)(CH3)	123.2240	1.031	2	123.2240	1.063	2	122.2046	0.802	7	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	3:4:4:	C[6]-4:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(C[6]C[6]O[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	C(C[6]C[6]O[6]H)(NCC)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)2	122.2650	0.000	1	122.2650	0.000	1	122.2046	0.802	7	121.8906	1.299	61	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-1:	C(CH3)(NCC)(O)	O(CCN)	N(CH3)(CCO)(C)	C(CH3)(NCC)(O)	O(CCN)	N(CH3)(CCO)(C)	131.0520	0.000	1	131.0520	0.000	1	131.0520	0.000	1	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CBrCC)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CBrCC)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.6205	1.593	2	123.6205	2.538	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CBrCC)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CBrCC)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.1970	0.000	1	123.1970	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CBrHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CBrHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.1910	0.000	1	123.1910	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	121.7190	0.487	4	121.7190	0.237	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	120.9936	0.882	7	120.9936	0.778	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.3744	0.889	10	121.3744	0.791	10	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	120.7930	0.117	2	120.7930	0.014	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	121.3750	0.000	1	121.3750	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	120.7064	0.340	7	120.7064	0.115	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	120.6550	0.000	1	120.6550	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	121.5668	0.759	5	121.5668	0.576	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]C[6]H)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]C[6]H)(CCO)(H)	121.6655	0.334	2	121.6655	0.112	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	121.9690	0.547	3	121.9690	0.300	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	120.4510	0.195	2	120.4510	0.038	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.4081	2.502	7	123.4081	6.260	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.2355	1.255	17	122.2355	1.575	17	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.7464	0.800	7	122.7464	0.640	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CC[3]HH)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CC[3]HH)(CCO)(H)	122.2860	0.000	1	122.2860	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.7542	0.570	5	122.7542	0.325	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.7212	0.496	5	122.7212	0.246	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.1982	1.299	10	123.1982	1.688	10	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.5794	0.764	146	122.5794	0.584	146	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.4265	1.027	94	122.4265	1.055	94	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.4898	0.992	24	122.4898	0.984	24	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	123.2085	0.371	2	123.2085	0.138	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.1527	0.531	3	123.1527	0.282	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.6095	0.535	11	122.6095	0.286	11	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCCO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.9900	0.000	1	123.9900	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCCO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.3035	1.329	2	124.3035	1.765	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCS)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.5100	0.000	1	122.5100	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCFF)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	127.0215	0.070	2	127.0215	0.005	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCFF)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	125.3835	0.346	2	125.3835	0.120	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCFF)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	125.8230	0.000	1	125.8230	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCFH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	125.0125	0.177	4	125.0125	0.031	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCFH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.1790	1.788	2	123.1790	3.195	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.9563	0.545	7	123.9563	0.297	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCFN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCFN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	126.3570	0.219	2	126.3570	0.048	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.9058	0.938	16	122.9058	0.879	16	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.2484	1.118	103	122.2484	1.249	103	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.9478	1.159	77	121.9478	1.343	77	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	122.7700	0.000	1	122.7700	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	122.7450	0.845	3	122.7450	0.714	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	122.7650	0.473	6	122.7650	0.224	6	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	123.3875	1.232	2	123.3875	1.519	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	121.7280	0.000	1	121.7280	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	122.2210	0.000	1	122.2210	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.8714	0.583	9	122.8714	0.340	9	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.7457	0.813	19	122.7457	0.660	19	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.7931	1.097	22	122.7931	1.203	22	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CHHO)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CHHO)(CCO)(H)	121.2310	0.000	1	121.2310	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.0008	0.915	103	123.0008	0.837	103	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.9874	1.030	384	122.9874	1.061	384	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.0214	0.939	87	123.0214	0.882	87	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[4]HH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[4]HH)(CCO)(H)	124.2227	0.389	4	124.2227	0.151	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5]CC)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5]CC)(CCO)(H)	125.3770	0.000	1	125.3770	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	125.6470	0.000	1	125.6470	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	122.9025	1.278	6	122.9025	1.634	6	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	122.2515	0.298	2	122.2515	0.089	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	123.6973	0.334	3	123.6973	0.111	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	123.6392	1.533	6	123.6392	2.349	6	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.7813	0.488	3	123.7813	0.238	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.0407	0.803	9	123.0407	0.645	9	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]HP)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC[6a]HP)(CCO)(H)	122.7060	0.583	2	122.7060	0.339	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.1466	0.747	22	123.1466	0.558	22	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.1483	1.244	4	123.1483	1.547	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.8084	0.746	13	123.8084	0.556	13	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.5842	0.812	10	123.5842	0.659	10	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	123.4310	1.158	4	123.4310	1.341	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	124.2550	0.431	2	124.2550	0.186	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	127.1060	0.000	1	127.1060	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.2592	0.844	12	124.2592	0.712	12	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCHS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	120.8927	0.721	3	120.8927	0.520	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CCHS)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.6873	0.415	3	123.6873	0.172	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCHS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.9210	0.000	1	123.9210	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCOP)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CCOP)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.2510	0.000	1	124.2510	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5,6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[5,6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	121.5550	1.369	2	121.5550	1.874	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.5980	0.380	2	123.5980	0.145	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]CN)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	C(CC[5]CN)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	121.6760	0.000	1	121.6760	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]FH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[5]FH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.6035	0.495	4	124.6035	0.245	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.8885	1.145	2	122.8885	1.311	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	121.1008	0.879	4	121.1008	0.772	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.8370	0.000	1	122.8370	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.1880	0.279	2	122.1880	0.078	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	121.8950	1.123	2	121.8950	1.261	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.3628	0.690	5	123.3628	0.476	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5]HO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[5]HO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.7060	0.000	1	122.7060	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.9160	1.361	3	122.9160	1.851	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	121.5150	0.000	1	121.5150	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.7698	0.302	4	124.7698	0.091	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	125.8620	0.000	1	125.8620	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.2540	0.000	1	124.2540	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	125.7862	0.703	4	125.7862	0.494	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]HO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.7710	0.000	1	123.7710	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5a]N[6]H)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[5a]N[6]H)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.2670	0.441	2	123.2670	0.195	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.9645	0.851	4	122.9645	0.725	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.4986	0.675	5	122.4986	0.455	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.2505	1.036	4	124.2505	1.072	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]FF)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6]FF)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	125.0340	0.000	1	125.0340	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.6323	1.303	12	122.6323	1.698	12	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.0847	0.619	3	123.0847	0.383	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.5902	0.979	4	122.5902	0.959	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.3840	0.000	1	122.3840	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.5430	0.000	1	122.5430	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.2440	0.957	6	123.2440	0.916	6	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	125.5840	0.000	1	125.5840	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.0812	1.222	5	122.0812	1.494	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.4156	0.334	5	121.4156	0.111	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	121.5360	0.000	1	121.5360	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.0103	0.759	3	122.0103	0.575	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	121.9680	0.000	1	121.9680	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[6a]3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	121.1430	0.000	1	121.1430	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[6a]CC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	121.2480	0.000	1	121.2480	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	121.9770	0.000	1	121.9770	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.0686	0.924	5	122.0686	0.854	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.5727	1.669	3	122.5727	2.787	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	123.1899	1.007	9	123.1899	1.014	9	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.8960	0.000	1	123.8960	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.2565	0.414	2	123.2565	0.171	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.5700	0.000	1	125.5700	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.8705	1.442	2	123.8705	2.079	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]C[6]H)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]C[6]H)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.1440	0.000	1	123.1440	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.0680	0.433	2	122.0680	0.187	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.1610	0.626	3	122.1610	0.392	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.8420	1.196	7	121.8420	1.430	7	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCHO)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CCHO)(CCO)(H)	122.4800	0.000	1	122.4800	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	122.0670	0.000	1	122.0670	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.7950	0.000	1	122.7950	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	121.8400	0.584	4	121.8400	0.341	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.9600	0.313	4	122.9600	0.098	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.8317	0.565	11	124.8317	0.319	11	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.8767	0.380	3	123.8767	0.144	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.8410	0.000	1	122.8410	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.6880	0.000	1	123.6880	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.4077	1.950	3	124.4077	3.804	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	124.9600	0.000	1	124.9600	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.0390	0.837	3	124.0390	0.700	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	124.8910	0.000	1	124.8910	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	125.7430	0.000	1	125.7430	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CSnCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	O(CCN)	N(CSnCH)(CCO)(H)	121.2630	0.000	1	121.2630	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N[4]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	125.0910	0.000	1	125.0910	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N[4]H)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.4420	0.000	1	124.4420	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N[5]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	125.1260	0.349	12	125.1260	0.122	12	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]N[6]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CC[6a]N[6]H)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.9130	0.000	1	124.9130	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCl2C)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CCl2C)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	125.8405	0.333	2	125.8405	0.111	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCl3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.5170	0.608	2	125.5170	0.370	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CClCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CClCH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.3265	1.076	2	121.3265	1.157	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CClHH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.5136	0.936	8	123.5136	0.876	8	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CClHH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.7600	0.000	1	123.7600	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CClHH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.8470	0.314	2	123.8470	0.099	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	126.4806	0.672	5	126.4806	0.452	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	127.3150	0.274	3	127.3150	0.075	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	126.3580	0.000	1	126.3580	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[5]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[5]C[6]H)(CCO)(H)	127.5040	0.000	1	127.5040	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	128.4885	0.419	2	128.4885	0.176	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	126.7060	0.000	1	126.7060	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]C[5]H)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]C[5]H)(CCO)(H)	127.0485	0.056	2	127.0485	0.003	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]C[6]H)(CCO)(H)	126.7960	0.000	1	126.7960	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]HN)(CCO)(H)	C(CF3)(NCH)(O)	O(CCN)	N(CC[6a]HN)(CCO)(H)	127.6440	0.000	1	127.6440	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CFFS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CFFS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	126.3000	0.000	1	126.3000	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CFeCH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CFeCH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.6860	0.000	1	123.6860	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	122.2214	1.277	12	122.2214	1.631	12	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.0164	1.026	92	122.0164	1.052	92	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCCS)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCCS)(CCO)(H)	123.8160	0.000	1	123.8160	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.7168	1.241	44	121.7168	1.541	44	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCPP)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCPP)(CCO)(H)	120.6330	0.000	1	120.6330	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[3x6]CH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[3x6]CH)(CCO)(H)	121.8700	0.000	1	121.8700	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5,6]CH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5,6]CH)(CCO)(H)	120.7585	1.804	2	120.7585	3.254	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]CC)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]CC)(CCO)(H)	123.3760	0.000	1	123.3760	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]CH)(CCO)(H)	122.8344	0.620	5	122.8344	0.385	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5]HH)(CCO)(H)	121.9714	0.715	16	121.9714	0.511	16	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]C[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]C[6a]C)(CCO)(H)	123.2940	0.000	1	123.2940	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[5a]HH)(CCO)(H)	122.0883	0.648	3	122.0883	0.420	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]2H)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]2H)(CCO)(H)	122.4990	0.000	1	122.4990	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]CC)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]CC)(CCO)(H)	122.6915	1.288	4	122.6915	1.659	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]CH)(CCO)(H)	122.3540	0.695	4	122.3540	0.483	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	122.2171	0.771	13	122.2171	0.595	13	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	121.9161	1.370	9	121.9161	1.877	9	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.0286	0.596	21	122.0286	0.356	21	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C[5]H)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]C[5]H)(CCO)(H)	122.6893	0.391	3	122.6893	0.153	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	122.2889	0.661	8	122.2889	0.437	8	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	127.7355	2.894	2	127.7355	8.376	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CHHN)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CHHN)(CCO)(H)	122.0015	1.504	2	122.0015	2.262	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHI)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CHHI)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.8430	0.000	1	122.8430	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.2834	1.503	9	123.2834	2.259	9	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.6600	0.914	103	123.6600	0.835	103	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.2081	0.870	91	123.2081	0.756	91	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]2H)(CCO)(H)	124.5080	0.000	1	124.5080	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	124.5872	0.724	4	124.5872	0.524	4	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.6214	0.575	8	123.6214	0.330	8	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.3825	1.005	2	123.3825	1.010	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.7145	0.418	2	122.7145	0.175	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CHHP)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CHHP)(CCO)(H)	123.2350	0.557	3	123.2350	0.311	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.7673	0.969	20	123.7673	0.939	20	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.0240	0.760	70	124.0240	0.578	70	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CC[6]HH)(CCO)(H)	124.5830	0.000	1	124.5830	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	123.9764	0.511	26	123.9764	0.261	26	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CHHO)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	124.3805	0.551	2	124.3805	0.303	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHP)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CHHP)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.6598	0.359	5	123.6598	0.129	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHP)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CHHP)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.2160	0.000	1	124.2160	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CHHS)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	124.9340	0.000	1	124.9340	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHS)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CHHS)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	123.4275	0.363	2	123.4275	0.132	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHOS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CHOS)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.2810	0.000	1	124.2810	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CMoCC)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CMoCC)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.0610	0.000	1	123.0610	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[4]CC)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[4]CC)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	122.5110	0.860	2	122.5110	0.739	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[4]CC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CN[4]CC)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	123.9070	0.000	1	123.9070	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]2H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	125.1960	0.000	1	125.1960	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.7665	0.534	2	123.7665	0.285	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.5990	0.000	1	123.5990	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	121.9235	0.914	2	121.9235	0.836	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]CC)(CCO)(H)	124.5815	0.674	2	124.5815	0.454	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.1520	0.000	1	124.1520	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.6765	0.473	2	122.6765	0.224	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CN[5]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	125.9040	0.000	1	125.9040	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.2280	1.341	5	123.2280	1.799	5	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]2H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5a]2H)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.2080	0.000	1	124.2080	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.8270	0.010	2	123.8270	0.000	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	124.9370	1.178	2	124.9370	1.388	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.4680	0.000	1	124.4680	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]FF)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[5a]FF)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.7800	0.000	1	125.7800	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	124.2220	0.387	2	124.2220	0.150	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.5490	1.430	2	122.5490	2.044	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CC[3x4,3x6]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CC[3x4,3x6]HH)(CCO)(H)	124.5205	0.101	2	124.5205	0.010	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	O(CCN)	N(CC[6a]HH)(CCO)(H)	124.1020	0.556	6	124.1020	0.309	6	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.7160	0.000	1	123.7160	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.0637	1.191	3	123.0637	1.419	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	C(CN[6]CH)(NCH)(O)	O(CCN)	N(CH3)(CCO)(H)	122.4055	0.602	2	122.4055	0.362	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.8057	0.605	3	123.8057	0.366	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.7370	0.000	1	122.7370	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.7427	0.874	3	124.7427	0.763	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.4197	2.037	3	125.4197	4.148	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	123.4023	0.649	3	123.4023	0.421	3	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	O(CCN)	N(CC[6a]CH)(CCO)(H)	122.4650	0.000	1	122.4650	0.000	1	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CPdCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CPdCH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	120.7550	1.465	2	120.7550	2.147	2	122.9435	1.642	2240	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(CC[6]HN)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6]HN)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	123.6960	0.000	1	123.6960	0.000	1	123.2288	2.148	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(CC[6a]HH)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,5]C[4]H)(CCO)(H)	C(CC[6a]HH)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,5]C[4]H)(CCO)(H)	120.9630	0.000	1	120.9630	0.000	1	123.2288	2.148	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(CC[6a]HN)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6a]HN)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	123.8070	1.469	2	123.8070	2.159	2	123.2288	2.148	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(CN[5a]HH)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CN[5a]HH)(NC[4]H)(O)	O(CCN)	N(C[4]C[4,6]C[4]H)(CCO)(H)	123.8710	0.000	1	123.8710	0.000	1	123.2288	2.148	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(CC[6a]3)(NC[5]H)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]3)(NC[5]H)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	122.2558	0.642	4	122.2558	0.412	4	122.5618	0.777	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(CC[6a]HO)(NC[5]H)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]HO)(NC[5]H)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(H)	123.7860	0.000	1	123.7860	0.000	1	122.5618	0.777	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[5,6]HO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5,6]HO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.5340	0.000	1	123.5340	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[5]CH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]CH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.5690	0.000	1	122.5690	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[5]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	122.8340	0.345	2	122.8340	0.119	2	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6,6]C[6]H)(CCO)(H)	121.6090	0.000	1	121.6090	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6]HN)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6]HN)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.0800	0.000	1	124.0800	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]3)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]3)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	121.8770	0.395	2	121.8770	0.156	2	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HH)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	123.1690	0.000	1	123.1690	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]HN)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.1358	0.792	6	124.1358	0.627	6	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CC[6a]HO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HO)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	124.4110	0.000	1	124.4110	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(CN[6a]CC)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	C(CN[6a]CC)(NC[6]H)(O)	O(CCN)	N(C[6]C[6]2H)(CCO)(H)	121.3490	0.000	1	121.3490	0.000	1	123.2328	1.320	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CCFF)(NHP)(O)	O(CCN)	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	O(CCN)	N(PO3)(CCO)(H)	126.1620	0.000	1	126.1620	0.000	1	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CCl2H)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	124.3480	0.646	2	124.3480	0.418	2	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CCl2H)(NHP)(O)	O(CCN)	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	O(CCN)	N(PN[6]2O)(CCO)(H)	126.0010	0.000	1	126.0010	0.000	1	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CCl3)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	125.7004	0.722	5	125.7004	0.521	5	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CCl3)(NHP)(O)	O(CCN)	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	O(CCN)	N(PO3)(CCO)(H)	126.7390	0.000	1	126.7390	0.000	1	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CClFF)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	126.3210	1.139	4	126.3210	1.297	4	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CClHH)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	124.0740	0.000	1	124.0740	0.000	1	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CF3)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	O(CCN)	N(PNNO)(CCO)(H)	126.7710	2.106	2	126.7710	4.434	2	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	P-4:C-3:H-1:	C(CF3)(NHP)(O)	O(CCN)	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	O(CCN)	N(PNOO)(CCO)(H)	126.9400	0.000	1	126.9400	0.000	1	125.8856	1.369	18	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CC3)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	120.2353	0.124	6	120.2353	0.015	6	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCCH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	121.0183	0.170	3	121.0183	0.029	3	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	121.5457	0.622	8	121.5457	0.387	8	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CC[6a]C[5]H)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	122.8030	0.000	1	122.8030	0.000	1	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCl2H)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	123.6103	0.379	3	123.6103	0.144	3	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CClHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	122.6090	0.000	1	122.6090	0.000	1	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CH3)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	121.0545	0.578	16	121.0545	0.334	16	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CH3)(NHS)(O)	O(CCN)	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	O(CCN)	N(SO3)(CCO)(H)	122.3910	0.000	1	122.3910	0.000	1	121.3420	0.993	39	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3,4,5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	O(CC[3,4,5]N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	O(CC[3,4,5]N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	123.3074	0.725	5	123.3074	0.526	5	123.3074	0.526	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[3]C[3]2C)(NCH)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2C)(NCH)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)(H)	122.5504	0.992	5	122.5504	0.984	5	123.4492	1.253	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[3]C[3]2F)(NCH)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2F)(NCH)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(H)	124.9915	0.221	2	124.9915	0.049	2	123.4492	1.253	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[6a]CH)(CC[3]O)(H)	123.3462	0.428	4	123.3462	0.183	4	123.4492	1.253	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(H)	124.3600	0.000	2	124.3600	0.000	2	123.4492	1.253	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[3]-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[3]C[3]2H)(NC[5]H)(O)	O(CC[3]N)	N(C[5]C[5]2Fe)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5]H)(O)	O(CC[3]N)	N(C[5]C[5]2Fe)(CC[3]O)(H)	123.5600	0.000	1	123.5600	0.000	1	123.5600	0.000	1	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4,5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4,5]C[4,5,5]2H)(NCH)(O)	O(CC[4,5]N)	N(CC[6a]CH)(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(NCH)(O)	O(CC[4,5]N)	N(CC[6a]CH)(CC[4,5]O)(H)	122.6680	0.000	1	122.6680	0.000	1	122.6680	0.000	1	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4,6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4,6]C[4,6]2O[6])(NCH)(O)	O(CC[4,6]N)	N(CC[6a]CH)(CC[4,6]O)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	O(CC[4,6]N)	N(CC[6a]CH)(CC[4,6]O)(H)	124.5023	0.671	4	124.5023	0.451	4	124.5023	0.451	4	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4]C[4,6]C[4]H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4,6]C[4]H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	122.4880	0.000	1	122.4880	0.000	1	123.6350	1.472	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4]C[4]2F)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2F)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	125.2160	0.000	1	125.2160	0.000	1	123.6350	1.472	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4]C[4]2H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	122.3380	0.000	1	122.3380	0.000	1	123.6350	1.472	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4]C[4]N[4]H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NCH)(O)	O(CC[4]N)	N(CC[6a]CH)(CC[4]O)(H)	124.1580	0.000	1	124.1580	0.000	1	123.6350	1.472	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[4]C[6a]C[4]N[4])(NCH)(O)	O(CC[4]N)	N(CC[6a]HH)(CC[4]O)(H)	C(C[4]C[6a]C[4]N[4])(NCH)(O)	O(CC[4]N)	N(CC[6a]HH)(CC[4]O)(H)	123.9750	0.000	1	123.9750	0.000	1	123.6350	1.472	5	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[4]C[4]2H)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2H)(CC[4]O)(H)	122.3605	0.496	2	122.3605	0.246	2	122.9447	1.063	12	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[4]C[4]2N)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2C)(CC[4]O)(H)	C(C[4]C[4]2N)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2C)(CC[4]O)(H)	122.4210	0.505	5	122.4210	0.255	5	122.9447	1.063	12	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[4]-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[4]C[4]N[4]H)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[4]H)(O)	O(CC[4]N)	N(C[4]C[4]2H)(CC[4]O)(H)	123.7022	1.172	5	123.7022	1.374	5	122.9447	1.063	12	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]N[5])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]N[5])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]CH)(CC[5,6]O)(H)	123.0380	0.000	1	123.0380	0.000	1	123.6096	1.882	8	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]HH)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]HH)(CC[5,6]O)(H)	122.2183	0.651	3	122.2183	0.423	3	123.6096	1.882	8	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	O(CC[5,6]N)	N(CC[6a]CH)(CC[5,6]O)(H)	124.7960	0.433	4	124.7960	0.188	4	123.6096	1.882	8	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	O(CC[5,6]N)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	O(CC[5,6]N)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	123.1650	0.000	1	123.1650	0.000	1	123.7360	0.652	2	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	O(CC[5,6]N)	N(C[6]C[6]2H)(CC[5,6]O)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	O(CC[5,6]N)	N(C[6]C[6]2H)(CC[5,6]O)(H)	124.3070	0.000	1	124.3070	0.000	1	123.7360	0.652	2	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[3x5,6]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[3x5,6]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	124.1830	0.080	3	124.1830	0.006	3	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5,5,6]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	123.4625	0.252	2	123.4625	0.064	2	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5,6a]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,6a]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	125.2990	0.000	1	125.2990	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2Co)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2Co)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	123.0850	0.000	1	123.0850	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	122.0290	0.520	2	122.0290	0.271	2	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[6]HH)(CC[5]O)(H)	121.6335	0.842	2	121.6335	0.709	2	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	122.1065	0.402	10	122.1065	0.162	10	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]2H)(CC[5]O)(H)	122.8885	0.479	2	122.8885	0.229	2	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	122.3720	1.385	3	122.3720	1.917	3	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	123.4340	0.000	1	123.4340	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	123.5830	0.000	1	123.5830	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]2S)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2S)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	123.0410	0.000	1	123.0410	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	123.2250	1.824	4	123.2250	3.326	4	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	123.2920	0.044	2	123.2920	0.002	2	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]CH)(CC[5]O)(H)	123.3063	0.856	3	123.3063	0.733	3	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5a]CH)(CC[5]O)(H)	124.5070	0.650	5	124.5070	0.423	5	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5a]HH)(CC[5]O)(H)	124.2950	0.000	1	124.2950	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6]CC)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6]CC)(CC[5]O)(H)	123.4740	0.000	1	123.4740	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6]HH)(CC[5]O)(H)	123.9050	0.000	1	123.9050	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	122.2005	1.540	11	122.2005	2.372	11	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]O[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(H)	123.1130	0.000	1	123.1130	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	O(CC[5]N)	N(CC[5]HH)(CC[5]O)(H)	123.7460	0.472	3	123.7460	0.223	3	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	122.1190	0.000	1	122.1190	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[5]N[5,6]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]N[5,6]C[5]H)(NCH)(O)	O(CC[5]N)	N(CC[6a]CH)(CC[5]O)(H)	124.6960	0.000	1	124.6960	0.000	1	122.9870	1.552	63	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[3]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[3]H)(O)	O(CC[5]N)	N(C[3]C[3]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[3]H)(O)	O(CC[5]N)	N(C[3]C[3]2C)(CC[5]O)(H)	122.8819	0.886	17	122.8819	0.785	17	122.8819	0.785	17	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[4]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[4]H)(O)	O(CC[5]N)	N(C[4]C[4]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[4]H)(O)	O(CC[5]N)	N(C[4]C[4]2C)(CC[5]O)(H)	122.9383	1.445	3	122.9383	2.088	3	122.9383	2.088	3	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[5]C[5]2H)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2H)(CC[5]O)(H)	122.6856	0.345	9	122.6856	0.119	9	122.3935	0.497	27	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[5]C[5]2N)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]2N)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)(H)	122.1391	0.761	15	122.1391	0.580	15	122.3935	0.497	27	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5]H)(O)	O(CC[5]N)	N(C[5]C[5]2C)(CC[5]O)(H)	122.7890	0.907	3	122.7890	0.822	3	122.3935	0.497	27	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	123.8020	0.000	1	123.8020	0.000	1	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	123.7790	0.000	1	123.7790	0.000	1	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	122.9350	0.540	2	122.9350	0.292	2	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]N[5]C)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	123.4500	0.000	1	123.4500	0.000	1	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2C)(CC[5]O)(H)	123.5347	0.985	3	123.5347	0.971	3	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	123.6183	0.729	3	123.6183	0.531	3	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	124.0000	0.000	1	124.0000	0.000	1	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	124.4330	0.000	1	124.4330	0.000	1	123.5995	0.429	13	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6,6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	O(CC[6,6]N)	N(CC[6a]CH)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	O(CC[6,6]N)	N(CC[6a]CH)(CC[6,6]O)(H)	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6,6]-4:N-3:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	O(CC[6,6]N)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	O(CC[6,6]N)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	122.0500	0.945	8	122.0500	0.892	8	122.0500	0.892	8	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	120.4720	0.472	3	120.4720	0.223	3	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2C)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	122.6510	0.000	1	122.6510	0.000	1	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[5]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[5]HH)(CC[6]O)(H)	122.0830	0.409	2	122.0830	0.167	2	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	123.2490	0.061	2	123.2490	0.004	2	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	122.4840	0.165	2	122.4840	0.027	2	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]2N)(NCH)(O)	O(CC[6]N)	N(CC[6]HH)(CC[6]O)(H)	122.1780	0.121	3	122.1780	0.015	3	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]3)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]3)(CC[6]O)(H)	124.1830	0.000	1	124.1830	0.000	1	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(H)	123.4444	1.912	5	123.4444	3.654	5	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]HH)(CC[6]O)(H)	122.5110	0.994	2	122.5110	0.988	2	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6]C[6]O[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]2H)(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	O(CC[6]N)	N(CC[6a]2H)(CC[6]O)(H)	124.5080	0.000	1	124.5080	0.000	1	122.5985	1.978	22	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[5]-4:C-3:H-1:	C(C[6]C[6]2H)(NC[5]H)(O)	O(CC[6]N)	N(C[5]C[5]O[5]C)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[5]H)(O)	O(CC[6]N)	N(C[5]C[5]O[5]C)(CC[6]O)(H)	123.8250	2.417	2	123.8250	5.841	2	123.8250	5.841	2	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	122.0890	0.000	1	122.0890	0.000	1	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	123.8325	0.257	2	123.8325	0.066	2	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]2H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	122.3246	0.544	22	122.3246	0.296	22	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]2N)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2C)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2C)(CC[6]O)(H)	122.5282	0.973	5	122.5282	0.947	5	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]2N)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(H)	123.7370	0.000	1	123.7370	0.000	1	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[6]C[6]N[6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6]H)(O)	O(CC[6]N)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	123.1955	0.480	2	123.1955	0.231	2	122.5353	0.536	33	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	N-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NFeCH)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NFeCH)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	126.8350	0.000	1	126.8350	0.000	1	126.8350	0.000	1	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:1:	P-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(PC[6a]2O)(NCH)(O)	O(CNP)	N(CCCH)(COP)(H)	C(PC[6a]2O)(NCH)(O)	O(CNP)	N(CCCH)(COP)(H)	125.7600	0.035	2	125.7600	0.001	2	125.7600	0.001	2	122.9454	1.727	2568	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(CCHN)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NC)	C(CCHN)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NC)	121.1020	0.369	2	121.1020	0.136	2	120.8432	0.071	8	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(CC[5a]HH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NC)	C(CC[5a]HH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NC)	120.9087	0.110	3	120.9087	0.012	3	120.8432	0.071	8	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(CH3)(NCN)(O)	O(CCN)	N(CCHH)(CCO)(NC)	C(CH3)(NCN)(O)	O(CCN)	N(CCHH)(CCO)(NC)	120.6053	0.101	3	120.6053	0.010	3	120.8432	0.071	8	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC3)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	C(CC3)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	119.1075	3.234	2	119.1075	10.456	2	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCCO)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CCCO)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.5130	0.000	1	120.5130	0.000	1	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.0458	0.357	5	120.0458	0.127	5	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHN)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	C(CCHN)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	119.9705	1.173	2	119.9705	1.376	2	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHS)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CCHS)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.4430	0.000	1	120.4430	0.000	1	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6]CH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OH)	C(CC[6]CH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OH)	119.8090	0.000	1	119.8090	0.000	1	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6]HO)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CC[6]HO)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	121.1270	0.000	1	121.1270	0.000	1	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6a]HH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CC[6a]HH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	119.7610	0.000	1	119.7610	0.000	1	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CH3)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	C(CH3)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OH)	119.6390	0.136	2	119.6390	0.018	2	119.9573	1.068	16	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C[5]-4:C-3:O-2:	C(CC[6a]HH)(NC[5]O)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(OH)	C(CC[6a]HH)(NC[5]O)(O)	O(CCN)	N(C[5]C[5]2H)(CCO)(OH)	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	S-4:C-3:N-2:	C(CCHH)(NNS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(NC)	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	120.2657	0.834	26	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CBrCC)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CBrCC)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	121.4730	0.000	1	121.4730	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CC3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	C(CC3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	118.2230	0.000	1	118.2230	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CC3)(CCC)(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CC3)(CCC)(CCO)	122.7980	0.000	1	122.7980	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	C(CCCH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	118.6470	0.000	1	118.6470	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CCO)(COO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CCO)(COO)	122.3625	0.865	2	122.3625	0.748	2	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCH)(CCO)	121.1860	0.693	2	121.1860	0.480	2	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)(COO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)(COO)	118.6217	0.724	3	118.6217	0.524	3	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	121.3237	0.286	3	121.3237	0.082	3	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)(COO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)(COO)	117.9690	0.000	1	117.9690	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	121.2840	0.000	1	121.2840	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CN[6]O)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CN[6]O)(CCO)	120.7885	0.104	2	120.7885	0.011	2	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	120.5200	0.000	3	120.5200	0.000	3	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5,6]H)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5,6]H)(CCO)	121.5760	0.000	1	121.5760	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CC[6]HH)(CCO)(CNO)	C(CCHO)(NCC)(O)	O(CCN)	N(CC[6]HH)(CCO)(CNO)	122.9815	0.212	4	122.9815	0.045	4	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	C(CCHO)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	121.8260	0.000	1	121.8260	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CCHS)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)2	C(CCHS)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)2	118.9045	0.380	2	118.9045	0.144	2	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CC[5]CC)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	C(CC[5]CC)(NCC)(O)	O(CCN)	N(CH3)(CCH)(CCO)	119.8820	0.000	1	119.8820	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CC[6a]3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	C(CC[6a]3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	117.4980	0.122	2	117.4980	0.015	2	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCHH)(CCH)(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCHH)(CCH)(CCO)	121.5010	0.000	1	121.5010	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCH)(CCO)	122.2140	0.000	1	122.2140	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCO)(COO)	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCO)(COO)	118.8130	0.000	1	118.8130	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)(CCO)2	120.2835	1.682	13	120.2835	2.829	13	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCO)(COO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCO)(COO)	117.5440	0.000	1	117.5440	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CC)(CC[6a]O)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CC)(CC[6a]O)(CCO)	119.6940	0.000	1	119.6940	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CC[6a]C)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CC[6a]C)(CCO)	122.1930	0.000	1	122.1930	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCC)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCC)(CCO)	121.2910	0.000	1	121.2910	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)2	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCO)2	120.4090	2.064	8	120.4090	4.259	8	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[6a]C)(CCO)	120.7186	0.633	5	120.7186	0.401	5	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CH3)(CCN)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CH3)(CCN)(CCO)	119.2140	0.000	1	119.2140	0.000	1	120.4772	2.829	66	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(CCHH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCH)	C(CCHH)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCH)	119.0540	0.000	1	119.0540	0.000	1	120.4154	1.378	8	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	O(CCN)	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	O(CCN)	N(CCHH)(CCO)(NCH)	120.5760	1.068	4	120.5760	1.140	4	120.4154	1.378	8	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	O(CCN)	N(CC[5a]HO)(CCO)(NCH)	C(CH3)(NCN)(O)	O(CCN)	N(CC[5a]HO)(CCO)(NCH)	119.6920	0.000	1	119.6920	0.000	1	120.4154	1.378	8	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCH)	C(CH3)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCH)	119.9740	0.000	1	119.9740	0.000	1	120.4154	1.378	8	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(CHHN)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCC)	C(CHHN)(NCN)(O)	O(CCN)	N(CH3)(CCO)(NCC)	122.2990	0.000	1	122.2990	0.000	1	120.4154	1.378	8	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	S-4:C-3:C-3:	C(CCHH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCC)(CCO)	120.6190	0.119	2	120.6190	0.014	2	121.5320	1.153	4	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	S-4:C-3:C-3:	C(CHHO)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CHHO)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[6a]C)(CCO)	122.4450	0.332	2	122.4450	0.110	2	121.5320	1.153	4	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	S-4:C-3:N-3:	C(CCHH)(NNS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(NHH)	119.7765	0.472	2	119.7765	0.222	2	119.7765	0.222	2	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	122.1140	0.000	1	122.1140	0.000	1	121.4240	0.952	2	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:3:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C-3:C-3:	C(C[6]C[6]2H)(NC[6]C)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(CNO)	C(C[6]C[6]2H)(NC[6]C)(O)	O(CC[6]N)	N(C[6]C[6]2H)(CC[6]O)(CNO)	120.7340	0.000	1	120.7340	0.000	1	121.4240	0.952	2	120.5286	2.533	82	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[3]C[3]O[3]H)(NCC)(O)	O(CC[3]N)	N(CC[6a]2H)(CC[3]O)(CCHH)	C(C[3]C[3]O[3]H)(NCC)(O)	O(CC[3]N)	N(CC[6a]2H)(CC[3]O)(CCHH)	122.3445	0.042	2	122.3445	0.002	2	122.9612	0.294	9	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(CCCH)	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(CCCH)	123.3030	0.066	3	123.3030	0.004	3	122.9612	0.294	9	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[3]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]2)(NCC)(O)	O(CC[3]N)	N(CC[6a]HH)(CC[3]O)(CCHH)	123.0132	0.638	4	123.0132	0.408	4	122.9612	0.294	9	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[3]-4:N-3:O-1:	C-3:	S-4:C-3:C-4:	C(C[3]C[6a]C[3]2)(NCS)(O)	O(CC[3]N)	N(SC[6a]OO)(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]2)(NCS)(O)	O(CC[3]N)	N(SC[6a]OO)(CC[3]O)(CCHH)	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[5]C[3x5,6]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(CCHH)	C(C[5]C[3x5,6]N[5]H)(NCC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(CCHH)	123.1695	0.077	2	123.1695	0.006	2	122.8943	0.230	3	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[5]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[5]C[5]N[5]C)(NCC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(CH3)	C(C[5]C[5]N[5]C)(NCC)(O)	O(CC[5]N)	N(CC[6a]HH)(CC[5]O)(CH3)	122.3440	0.000	1	122.3440	0.000	1	122.8943	0.230	3	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6]C[5,6]C[6]H)(NCC)(O)	O(CC[6]N)	N(CC[5]HH)(CC[6]O)(CH3)	C(C[6]C[5,6]C[6]H)(NCC)(O)	O(CC[6]N)	N(CC[5]HH)(CC[6]O)(CH3)	121.9230	0.000	1	121.9230	0.000	1	122.8400	1.682	2	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:3:4:	C[6]-4:N-3:O-1:	C-3:	C-4:C-3:C-4:	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(CCHH)	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6a]CH)(CC[6]O)(CCHH)	123.7570	0.000	1	123.7570	0.000	1	122.8400	1.682	2	122.7533	0.790	15	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CBrHH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CBrHH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.7010	0.000	1	121.7010	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CC3)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	119.6330	0.000	1	119.6330	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CC3)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	120.9250	0.000	1	120.9250	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CC3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	117.8510	0.000	1	117.8510	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	120.7810	0.000	1	120.7810	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	120.8240	0.000	1	120.8240	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	121.6120	0.000	1	121.6120	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	121.4530	0.000	1	121.4530	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	123.1713	0.651	4	123.1713	0.423	4	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCCN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	119.7180	0.000	1	119.7180	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCCN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	120.6965	0.252	2	120.6965	0.064	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCCS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCCS)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.4380	0.000	1	121.4380	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCFF)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCFF)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.5700	0.000	1	123.5700	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCFH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CH3)(CCO)	C(CCFH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CH3)(CCO)	124.6400	0.000	2	124.6400	0.000	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCFH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5]HH)(CCO)	C(CCFH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5]HH)(CCO)	122.8050	0.000	1	122.8050	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	121.9073	0.351	3	121.9073	0.123	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	122.0130	0.561	2	122.0130	0.315	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	122.3970	0.000	1	122.3970	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	122.5160	0.000	1	122.5160	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	121.3940	0.000	1	121.3940	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CHHO)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)(CHHO)(CCO)	121.9160	0.000	1	121.9160	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.6466	0.715	17	121.6466	0.511	17	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	122.3120	0.000	1	122.3120	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCCH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCCH)(CCO)	120.7100	0.000	1	120.7100	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCHH)(CCO)	122.1710	0.153	2	122.1710	0.023	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]HH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6]HH)(CCHH)(CCO)	122.0910	0.000	1	122.0910	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	121.7690	0.135	3	121.7690	0.018	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	120.2720	0.000	1	120.2720	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CH3)(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CH3)(CCO)	121.1540	0.000	1	121.1540	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	120.1704	1.970	27	120.1704	3.880	27	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	C(CCHH)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	120.3090	0.000	1	120.3090	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	121.4548	1.124	21	121.4548	1.264	21	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	121.1245	0.322	2	121.1245	0.104	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.8341	0.409	14	121.8341	0.167	14	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	120.9850	0.000	1	120.9850	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5]HH)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC[5]HH)(CCO)	121.9635	0.499	2	121.9635	0.249	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CHHN)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CHHN)(CCO)	122.8470	0.000	1	122.8470	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.0983	0.759	15	122.0983	0.575	15	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	O(CCN)	N(CHHN)(CH3)(CCO)	C(CCHN)(NCC)(O)	O(CCN)	N(CHHN)(CH3)(CCO)	121.4899	0.977	12	121.4899	0.955	12	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CCHO)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	121.9970	1.899	2	121.9970	3.607	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CCHO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	122.9644	0.731	8	122.9644	0.535	8	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCHO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.0170	0.191	2	122.0170	0.036	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCHO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.8746	0.652	5	122.8746	0.425	5	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHP)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CCHP)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.7603	0.142	3	121.7603	0.020	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCHP)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCHP)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	123.3540	0.000	1	123.3540	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[4]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC3)(CCO)	C(CC[4]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CC3)(CCO)	123.0650	0.000	2	123.0650	0.000	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5,6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5,6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.0150	0.980	2	121.0150	0.960	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5,6]HO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5,6]HO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.8210	0.000	1	121.8210	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[5]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	124.0580	0.000	1	124.0580	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.7075	0.036	2	121.7075	0.001	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5]HO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[5]HO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.1290	0.000	1	123.1290	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]CH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CC[5a]CH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	120.9190	0.000	1	120.9190	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]CH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[5a]CH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.6085	0.022	2	122.6085	0.000	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[5a]HH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CC[5a]HH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	122.2650	0.000	1	122.2650	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6,6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6,6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	120.8240	0.000	1	120.8240	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]CH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CC[6]CH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	121.8360	0.000	1	121.8360	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]FF)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6]FF)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.3770	0.000	1	123.3770	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	120.1210	0.000	1	120.1210	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.4265	0.081	2	121.4265	0.007	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6]HP)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6]HP)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.2330	0.734	4	123.2330	0.538	4	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]2C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]2C)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	119.9010	0.387	2	119.9010	0.150	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]2H)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CC[6a]2H)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	122.8560	0.000	1	122.8560	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]2H)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6a]2H)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.3710	0.488	2	121.3710	0.238	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	121.2690	0.000	1	121.2690	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	119.8490	0.000	1	119.8490	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]CH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.9827	0.188	3	121.9827	0.036	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	122.1953	1.216	3	122.1953	1.479	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.5324	0.572	5	122.5324	0.327	5	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CH3)(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CH3)(CCO)	119.1030	0.000	1	119.1030	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	120.1550	0.000	1	120.1550	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.4310	0.000	1	121.4310	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	C(CC[6a]HH)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	120.0630	1.216	3	120.0630	1.478	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CC[6a]HN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	123.1690	0.000	1	123.1690	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]HO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CC[6a]HO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.1550	0.000	1	122.1550	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CC[6a]PdH)(NCC)(O)	O(CCN)	N(CC[6a]PdH)(CC[6a]HH)(CCO)	C(CC[6a]PdH)(NCC)(O)	O(CCN)	N(CC[6a]PdH)(CC[6a]HH)(CCO)	122.7030	0.000	1	122.7030	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCl2H)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	C(CCl2H)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	123.5310	0.000	1	123.5310	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCl3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CCl3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	122.7845	0.975	2	122.7845	0.951	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CClCH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CClCH)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	124.2630	0.000	1	124.2630	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CClHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CClHH)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	122.4110	0.000	1	122.4110	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CCo3)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CCo3)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	119.1310	0.000	1	119.1310	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	125.7710	0.000	1	125.7710	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	125.1710	0.000	1	125.1710	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	124.7390	0.144	2	124.7390	0.021	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	125.4938	0.438	5	125.4938	0.192	5	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CC[6a]HH)(CCO)	125.3380	0.416	2	125.3380	0.173	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CF3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	124.7720	0.000	1	124.7720	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CFFH)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	C(CFFH)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	123.9080	0.379	2	123.9080	0.144	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CFFH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CFFH)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	123.6970	0.369	3	123.6970	0.136	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	121.3085	1.510	2	121.3085	2.279	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	122.7285	0.425	4	122.7285	0.181	4	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	120.9841	0.470	12	120.9841	0.221	12	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]CH)(CCHH)(CCO)	121.5280	0.000	1	121.5280	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]CH)(CH3)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]CH)(CH3)(CCO)	121.3600	0.000	1	121.3600	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5]HH)(CCHH)(CCO)	120.0357	0.960	6	120.0357	0.922	6	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[5a]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[5a]CH)(CCHH)(CCO)	120.5070	0.000	1	120.5070	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6]CH)(CCHH)(CCO)	120.8930	0.126	2	120.8930	0.016	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6]HH)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6]HH)2(CCO)	119.9390	0.000	1	119.9390	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CCHH)(CCO)	120.8280	0.475	3	120.8280	0.226	3	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCCH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCCH)(CCO)	120.8900	0.000	1	120.8900	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	121.2447	0.926	6	121.2447	0.857	6	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	122.0375	0.865	2	122.0375	0.748	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CC[6a]HH)2(CCO)	121.7740	0.000	1	121.7740	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	121.0995	5.562	145	121.0995	30.931	145	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CSeHH)2(CCO)	121.1350	0.000	1	121.1350	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCCH)(CCHH)(CCO)	123.1860	0.464	6	123.1860	0.215	6	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCCH)(CH3)(CCO)	122.6190	0.000	1	122.6190	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)(CC3)(CCO)	123.7659	0.540	9	123.7659	0.291	9	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)(CH3)(CCO)	123.6100	0.000	1	123.6100	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.3261	0.656	50	122.3261	0.430	50	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]CH)(CCHH)(CCO)	122.1008	0.785	16	122.1008	0.617	16	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	122.4171	0.629	24	122.4171	0.396	24	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.9037	0.659	12	122.9037	0.434	12	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CHHN)(CH3)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CHHN)(CH3)(CCO)	121.2125	0.626	2	121.2125	0.392	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CHHO)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	122.7100	0.000	1	122.7100	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CHHO)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.1442	0.931	10	122.1442	0.868	10	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	O(CCN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	C(CHHO)(NCC)(O)	O(CCN)	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	122.3230	0.000	1	122.3230	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CHHO)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	122.0402	0.584	6	122.0402	0.341	6	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CHHO)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	122.6940	0.991	2	122.6940	0.983	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	C(CHHS)(NCC)(O)	O(CCN)	N(CCCH)2(CCO)	123.0500	1.172	2	123.0500	1.374	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CHHS)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.5140	0.795	4	123.5140	0.632	4	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CMoCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CMoCH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	120.8430	0.000	1	120.8430	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[3x6]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CN[3x6]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.4930	0.000	1	122.4930	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[5]CH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CN[5]CH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.2950	1.071	2	122.2950	1.146	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CN[5]HH)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	122.8672	0.469	5	122.8672	0.220	5	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	C(CN[5]HH)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCCH)(CCO)	122.8943	0.579	7	122.8943	0.335	7	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CN[6]HH)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(CN[6]HH)(NCC)(O)	O(CCN)	N(CC[6a]2H)(CC[6a]CH)(CCO)	123.5120	0.853	2	123.5120	0.727	2	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CRuCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	C(CRuCH)(NCC)(O)	O(CCN)	N(CH3)2(CCO)	119.2080	0.000	1	119.2080	0.000	1	121.8089	8.973	601	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(CC[6a]CH)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NCS)(O)	O(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:Si-4:C-3:	C(CCHH)(NSiC)(O)	O(CCN)	N(CCHH)(SiN3)(CCO)	C(CCHH)(NSiC)(O)	O(CCN)	N(CCHH)(SiN3)(CCO)	119.5588	0.434	4	119.5588	0.188	4	119.5588	0.188	4	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C[5]-4:C-4:C-3:	C(CN[6a]HH)(NC[5]C)(O)	O(CCN)	N(C[5]C[5]2H)(CCHH)(CCO)	C(CN[6a]HH)(NC[5]C)(O)	O(CCN)	N(C[5]C[5]2H)(CCHH)(CCO)	123.0355	0.016	2	123.0355	0.000	2	123.0355	0.000	2	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(CC[6a]CH)(NC[6]2)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	C(CC[6a]CH)(NC[6]2)(O)	O(CCN)	N(C[6]C[6]2H)2(CCO)	122.6720	0.000	1	122.6720	0.000	1	122.6720	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C[6]-4:S-4:C-3:	C(CC[6a]C[6]H)(NC[6]S)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C(CC[6a]C[6]H)(NC[6]S)(O)	O(CCN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CCHH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CH3)(CCO)	C(CCHH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CH3)(CCO)	119.6000	0.000	1	119.6000	0.000	1	120.5322	1.199	6	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]HH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	C(CC[6a]HH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CCHH)(CCO)	119.9530	0.278	3	119.9530	0.077	3	120.5322	1.199	6	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]HH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[6]HH)(CCO)	C(CC[6a]HH)(NCS)(O)	O(CCN)	N(SC[6a]OO)(CC[6]HH)(CCO)	121.4200	0.000	1	121.4200	0.000	1	120.5322	1.199	6	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]N[5a]H)(NCS)(O)	O(CCN)	N(SCOO)(CH3)(CCO)	C(CC[6a]N[5a]H)(NCS)(O)	O(CCN)	N(SCOO)(CH3)(CCO)	122.3140	0.000	1	122.3140	0.000	1	120.5322	1.199	6	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C[4]-4:N-3:O-1:	C-3:	C-4:S-4:C-3:	C(C[4]C[6a]C[4]2)(NCS)(O)	O(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	C(C[4]C[6a]C[4]2)(NCS)(O)	O(CC[4]N)	N(CC[6a]HH)(SC[6a]OO)(CC[4]O)	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C[6,6]-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6,6]C[3x6]2O)(NCC)(O)	O(CC[6,6]N)	N(CC[6a]HH)2(CC[6,6]O)	C(C[6,6]C[3x6]2O)(NCC)(O)	O(CC[6,6]N)	N(CC[6a]HH)2(CC[6,6]O)	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C[6]-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6a]CH)2(CC[6]O)	C(C[6]C[6]2H)(NCC)(O)	O(CC[6]N)	N(CC[6a]CH)2(CC[6]O)	121.2023	0.628	3	121.2023	0.394	3	121.2023	0.394	3	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	C[6]-4:N-3:O-1:	C-3:	C[6]-4:C[6]-4:C-3:	C(C[6]C[6]2H)(NC[6]2)(O)	O(CC[6]N)	N(C[6]C[6]2H)2(CC[6]O)	C(C[6]C[6]2H)(NC[6]2)(O)	O(CC[6]N)	N(C[6]C[6]2H)2(CC[6]O)	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	4:3:1:	3:	4:4:3:	N-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCCH)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	C(NCCH)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)	127.5010	0.000	1	127.5010	0.000	1	127.5010	0.000	1	121.7773	8.818	623	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	5:3:1:	3:	3:3:1:	C[3x3,4,3x5,14x6]-5:N-3:O-1:	C-3:	C-3:C[6a]-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	O(CC[3x3,4,3x5,14x6]N)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	O(CC[3x3,4,3x5,14x6]N)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	125.2535	0.206	2	125.2535	0.042	2	125.2535	0.042	2	125.2535	0.042	2	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:1:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(H)2	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	125.0710	0.595	6	125.0710	0.354	6	124.8437	0.584	9	124.6195	1.407	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:C[6a]-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	124.3890	0.993	3	124.3890	0.987	3	124.8437	0.584	9	124.6195	1.407	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:3:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	O(CC[5x3,5x5,20x6]N)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	125.4700	0.000	1	125.4700	0.000	1	125.4700	0.000	1	124.6195	1.407	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:3:1:	C[5x4]-6:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	O(CC[5x4]N)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	O(CC[5x4]N)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	124.6195	1.407	11	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	125.6330	0.000	1	125.6330	0.000	1	124.6707	0.684	8	124.2812	1.964	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	124.5333	0.788	7	124.5333	0.621	7	124.6707	0.684	8	124.2812	1.964	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	6:3:1:	3:	3:4:1:	C[5x3,5x5,20x6]-6:N-3:O-1:	C-3:	C-3:S-4:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	O(CC[5x3,5x5,20x6]N)	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	124.2812	1.964	9	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP2	C	O	N	7:3:1:	3:	3:3:1:	C[4x3,4,4]-7:N-3:O-1:	C-3:	C-3:C[6a]-3:H-1:	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	O(CC[4x3,4,4]N)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	O(CC[4x3,4,4]N)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	123.1164	5.476	24266	123.1164	5.476	24266
930	863	956	0:SP2_SP2_SP3	C	O	N	2:3:1:	3:	3:3:1:	O-2:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(CNO)	N(CNS)(COO)(H)	C(OC[6])(NCH)(O)	O(CNO)	N(CNS)(COO)(H)	126.3900	0.000	1	126.3900	0.000	1	126.3900	0.000	1	126.3900	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	2:3:1:	3:	4:3:2:	O-2:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(OC[6a])(NCO)(O)	O(CNO)	N(CB[5,5]HH)(COO)(OC)	C(OC[6a])(NCO)(O)	O(CNO)	N(CB[5,5]HH)(COO)(OC)	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CCHH)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CCHH)2(CHO)	127.6670	0.000	1	127.6670	0.000	1	128.3229	28.565	7	128.3229	28.565	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:1:1:	3:	4:4:3:	N-3:H-1:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)(H)(O)	O(CHN)	N(CH3)2(CHO)	C(NCC)(H)(O)	O(CHN)	N(CH3)2(CHO)	128.4322	5.846	6	128.4322	34.177	6	128.3229	28.565	7	128.3229	28.565	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	2:3:1:	N-3:O-2:O-1:	C-3:	O-2:C-3:H-1:	C(NHO)(OC)(O)	O(CNO)	N(OC[6])(COO)(H)	C(NHO)(OC)(O)	O(CNO)	N(OC[6])(COO)(H)	125.6687	0.694	3	125.6687	0.482	3	125.6687	0.482	3	125.6687	0.482	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:1:1:	N-3:O-2:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CNO)	N(COO)(H)2	125.3427	1.001	4	125.3427	1.002	4	125.3427	1.002	4	125.3427	1.002	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NC)(H)	126.5970	0.332	2	126.5970	0.110	2	126.5970	0.110	2	125.6439	1.153	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CNO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	O(CNO)	N(COO)(OC)(H)	124.3225	1.087	2	124.3225	1.181	2	125.2626	1.066	5	125.6439	1.153	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CNO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	O(CNO)	N(COO)(OP)(H)	125.7990	0.298	2	125.7990	0.089	2	125.2626	1.066	5	125.6439	1.153	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:2:1:	N-3:O-2:O-1:	C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CNO)	N(COO)(OS)(H)	C(NHO)(OC)(O)	O(CNO)	N(COO)(OS)(H)	126.0700	0.000	1	126.0700	0.000	1	125.2626	1.066	5	125.6439	1.153	7	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CNN)(COO)(H)	125.6910	0.000	1	125.6910	0.000	1	125.6910	0.000	1	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCC)(H)	123.8949	1.832	7	123.8949	3.355	7	124.3831	2.743	13	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NCH)(H)	124.6748	1.309	5	124.6748	1.714	5	124.3831	2.743	13	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	O(CNO)	N(COO)(NHP)(H)	126.3420	0.000	1	126.3420	0.000	1	124.3831	2.743	13	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CNO)	N(C[5a]N[5a]2)(COO)(H)	125.9140	0.000	1	125.9140	0.000	1	125.9140	0.000	1	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[5]C)(COO)(H)	125.2992	0.637	5	125.2992	0.406	5	125.4741	0.301	10	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NC[6a]C)(COO)(H)	125.4768	0.246	4	125.4768	0.061	4	125.4741	0.301	10	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	O(CNO)	N(NP[4]C)(COO)(H)	126.3380	0.000	1	126.3380	0.000	1	125.4741	0.301	10	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:1:	N-3:O-2:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(OC)(O)	O(CNO)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	O(CNO)	N(N[5]C[5]2)(COO)(H)	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.8998	1.789	26	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:2:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(OH)	C(NC[6a]O)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(COO)(OH)	124.8560	0.675	2	124.8560	0.455	2	124.8560	0.455	2	124.8560	0.455	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)2	C(NCC)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)2	121.8710	2.212	2	121.8710	4.892	2	121.8710	4.892	2	123.5714	5.259	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)(NCC)	C(NCN)(OC)(O)	O(CNO)	N(CC[6a]O)(COO)(NCC)	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	123.5714	5.259	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(NC[6a]C)(OC)(O)	O(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	125.7440	0.175	2	125.7440	0.031	2	125.7440	0.031	2	123.5714	5.259	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	N-3:C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	N(NC[6a]H)(CCHO)(COO)	C(NCN)(OC)(O)	O(CNO)	N(NC[6a]H)(CCHO)(COO)	123.1130	0.000	1	123.1130	0.000	1	123.1130	0.000	1	122.8675	0.121	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	3:4:3:	N-3:O-2:O-1:	C-3:	N[3]-3:C-4:C-3:	C(NN[3]C)(OC)(O)	O(CNO)	N(N[3]C[3]2)(CCHH)(COO)	C(NN[3]C)(OC)(O)	O(CNO)	N(N[3]C[3]2)(CCHH)(COO)	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.8675	0.121	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCCH)(COO)(H)	124.9714	0.873	14	124.9714	0.762	14	124.8297	0.749	21	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CCHH)(COO)(H)	124.9110	0.844	2	124.9110	0.713	2	124.8297	0.749	21	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]CH)(COO)(H)	124.6347	1.020	3	124.6347	1.040	3	124.8297	0.749	21	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CNO)	N(CC[6a]C[5]H)(COO)(H)	124.0490	0.810	2	124.0490	0.657	2	124.8297	0.749	21	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	O(CNO)	N(C[4]C[4]2C)(COO)(H)	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(OC)(O)	O(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	O(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	126.8950	0.000	1	126.8950	0.000	1	126.8950	0.000	1	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	123.8103	0.953	3	123.8103	0.907	3	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	124.2355	1.217	2	124.2355	1.481	2	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	124.0200	0.000	1	124.0200	0.000	1	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	125.0070	0.000	2	125.0070	0.000	2	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(H)	123.9330	0.277	2	123.9330	0.077	2	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CNO)	N(C[5]C[5]2H)(COO)(H)	124.8820	0.000	1	124.8820	0.000	1	124.2440	0.575	11	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CNO)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	125.2900	0.000	1	125.2900	0.000	1	125.2900	0.000	1	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	125.1150	0.000	1	125.1150	0.000	1	124.8738	1.228	4	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6]2C)(COO)(H)	125.4030	0.000	1	125.4030	0.000	1	124.8738	1.228	4	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6a]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]C[6a]C[6]N[6])(COO)(H)	123.2540	0.000	1	123.2540	0.000	1	124.8738	1.228	4	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:1:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]N[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CNO)	N(C[6]N[5,6]C[6]H)(COO)(H)	125.7230	0.000	1	125.7230	0.000	1	124.8738	1.228	4	124.6960	0.899	39	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CNO)	N(CCCH)(COO)(OC)	C(NCO)(OC)(O)	O(CNO)	N(CCCH)(COO)(OC)	121.1170	0.000	1	121.1170	0.000	1	122.4135	3.362	2	122.2857	1.730	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CNO)	N(CH3)(COO)(OP)	C(NCO)(OC)(O)	O(CNO)	N(CH3)(COO)(OP)	123.7100	0.000	1	123.7100	0.000	1	122.4135	3.362	2	122.2857	1.730	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:2:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:O-2:	C(NC[6]O)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)(OH)	C(NC[6]O)(OC)(O)	O(CNO)	N(C[6]C[6]2H)(COO)(OH)	122.0300	0.000	1	122.0300	0.000	1	122.0300	0.000	1	122.2857	1.730	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(COO)2	C(NCC)(OC)(O)	O(CNO)	N(CCCH)(COO)2	123.0610	2.321	2	123.0610	5.386	2	123.0610	5.386	2	122.3075	2.570	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[3x4]-4:C-3:N-3:	C(NC[3x4]N)(OC)(O)	O(CNO)	N(C[3x4]C[4,4]3)(COO)(NCH)	C(NC[3x4]N)(OC)(O)	O(CNO)	N(C[3x4]C[4,4]3)(COO)(NCH)	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	122.3075	2.570	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CNO)	N(C[5]C[5]2C)(COO)(NCH)	121.3910	0.000	1	121.3910	0.000	1	121.3910	0.000	1	122.3075	2.570	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:	4:4:3:	N-3:O-2:O-1:	C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(OC)(O)	O(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	124.2930	0.000	1	124.2930	0.000	1	124.2930	0.000	1	124.2930	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	C-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCC)(NHH)(O)	O(CCN)	N(CCO)(H)2	119.9990	1.441	2	119.9990	2.077	2	119.9990	2.077	2	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	O(CC[6a]N)	N(CC[6a]O)(H)2	122.6101	1.138	8	122.6101	1.296	8	122.6101	1.296	8	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NCH)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.7776	0.884	5	122.7776	0.782	5	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.3264	0.626	5	122.3264	0.392	5	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	O(CNN)	N(CNO)(H)2	122.1620	0.916	2	122.1620	0.840	2	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(H)2	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(H)2	123.7077	1.214	6	123.7077	1.473	6	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NHH)2(O)	O(CNN)	N(CNO)(H)2	C(NHH)2(O)	O(CNN)	N(CNO)(H)2	121.0643	0.779	6	121.0643	0.607	6	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:1:1:	N-3:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(NN[6]C)(NHH)(O)	O(CNN)	N(CNO)(H)2	C(NN[6]C)(NHH)(O)	O(CNN)	N(CNO)(H)2	124.2450	0.000	1	124.2450	0.000	1	122.5088	1.703	25	122.3886	1.888	35	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	C-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	O(CCN)	N(CCO)(NC)(H)	124.9160	0.000	1	124.9160	0.000	1	124.9160	0.000	1	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC)(H)	122.1766	0.697	16	122.1766	0.486	16	122.5137	0.986	20	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(H)	124.0793	0.943	3	124.0793	0.889	3	122.5137	0.986	20	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5a])(H)	123.2100	0.000	1	123.2100	0.000	1	122.5137	0.986	20	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	O(CC[6a]N)	N(CC[6a]O)(OH)(H)	123.0310	0.989	2	123.0310	0.977	2	123.0310	0.977	2	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	O(CNN)	N(CNO)(NC)(H)	119.6600	0.000	1	119.6600	0.000	1	119.6600	0.000	1	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	118.9100	0.000	1	118.9100	0.000	1	119.4574	8.156	7	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NCO)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	125.6690	0.000	1	125.6690	0.000	1	119.4574	8.156	7	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NC[6a]H)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	O(CNN)	N(CNO)(OH)(H)	119.8960	0.000	1	119.8960	0.000	1	119.4574	8.156	7	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:1:	N-3:N-3:O-1:	C-3:	C-3:O-2:H-1:	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	O(CNN)	N(CNO)(OC)(H)	117.9317	0.428	4	117.9317	0.183	4	119.4574	8.156	7	121.8424	4.484	31	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(NOO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)2	C(C[6a]C[6a]2)(NOO)(O)	O(CC[6a]N)	N(CC[6a]O)(OC)2	120.7110	1.628	2	120.7110	2.650	2	120.7110	2.650	2	120.7110	2.650	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:2:4:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-2:C-4:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(CH3)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[5])(CH3)	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CNS)(H)	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]2)(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	122.1780	0.000	1	122.1780	0.000	1	122.9980	1.345	2	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	O(CC[5a]N)	N(CC[5a]O)(NCH)(H)	123.8180	0.000	1	123.8180	0.000	1	122.9980	1.345	2	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	122.0400	0.000	1	122.0400	0.000	1	123.1950	1.009	3	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	123.8670	0.000	1	123.8670	0.000	1	123.1950	1.009	3	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[5a]-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	O(CC[5a]N)	N(N[5]C[5]2)(CC[5a]O)(H)	123.6780	0.000	1	123.6780	0.000	1	123.1950	1.009	3	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CNS)(H)	122.6127	1.050	13	122.6127	1.102	13	122.4052	1.111	19	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CN[6]S)(H)	121.2775	1.862	2	121.2775	3.466	2	122.4052	1.111	19	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CSeN)(H)	122.2945	0.227	4	122.2945	0.051	4	122.4052	1.111	19	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCC)(H)	121.8255	0.392	2	121.8255	0.154	2	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCH)(H)	122.5078	1.205	10	122.5078	1.451	10	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]2)(H)	122.4070	0.000	1	122.4070	0.000	1	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC[6a]H)(H)	122.6383	1.898	3	122.6383	3.601	3	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCuC)(H)	121.4520	0.000	1	121.4520	0.000	1	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NHH)(H)	120.9580	0.000	1	120.9580	0.000	1	122.3034	1.422	18	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	122.7180	0.000	1	122.7180	0.000	1	122.7466	0.942	9	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7501	1.037	8	122.7501	1.076	8	122.7466	0.942	9	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	121.6350	0.000	1	121.6350	0.000	1	121.7125	0.012	2	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	O(CC[6a]N)	N(N[5a]C[5a]2)(CC[6a]O)(H)	121.7900	0.000	1	121.7900	0.000	1	121.7125	0.012	2	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(H)	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NN[6a]H)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(H)	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	121.6817	0.917	4	121.6817	0.841	4	120.4941	5.634	10	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CNO)(NOO)(H)	116.2540	0.000	2	116.2540	0.000	2	120.4941	5.634	10	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	O(CNN)	N(CNO)(NCH)(H)	121.0093	0.714	3	121.0093	0.510	3	120.4941	5.634	10	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(NHN)2(O)	O(CNN)	N(CNO)(NCH)(H)	C(NHN)2(O)	O(CNN)	N(CNO)(NCH)(H)	122.6780	0.000	1	122.6780	0.000	1	120.4941	5.634	10	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.5220	0.126	2	122.5220	0.016	2	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	122.8205	0.989	2	122.8205	0.979	2	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]C)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]C)(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	122.2390	0.000	1	122.2390	0.000	1	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	120.5700	0.000	1	120.5700	0.000	1	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[5a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[5a]C)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	124.4170	0.000	1	124.4170	0.000	1	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	123.9420	0.000	1	123.9420	0.000	1	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	125.2150	0.000	1	125.2150	0.000	1	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(H)	123.9150	0.212	2	123.9150	0.045	2	123.1725	1.719	11	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NC[6a]C)(NN[5]H)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	C(NC[6a]C)(NN[5]H)(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	122.1220	0.000	1	122.1220	0.000	1	122.7340	0.281	3	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N-3:N-3:O-1:	C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)2(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	O(CNN)	N(N[5]C[5]2)(CNO)(H)	123.0400	0.016	2	123.0400	0.000	2	122.7340	0.281	3	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:1:	N[6]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	O(CN[6]N)	N(C[6a]C[6a]2)(CN[6]O)(H)	122.1582	0.384	4	122.1582	0.147	4	122.1582	0.147	4	122.3042	2.103	84	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	121.1446	0.138	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:2:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(NC)	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	121.1446	0.138	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:2:	N-3:N-3:O-1:	C-3:	C-3:C-3:O-2:	C(NCO)(NHO)(O)	O(CNN)	N(CNO)2(OC)	C(NCO)(NHO)(O)	O(CNN)	N(CNO)2(OC)	121.0670	0.462	2	121.0670	0.214	2	121.0670	0.214	2	121.1446	0.138	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:2:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(NHN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(OC)	C(NC[6a]O)(NHN)(O)	O(CNN)	N(C[6a]C[6a]2)(CNO)(OC)	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	121.1446	0.138	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]O)(NC[6a]C)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)2	C(C[6a]C[6a]2)(NCC)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)2	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)(NCC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(COO)(NCC)	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(O)	O(CC[6a]N)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	121.2578	0.771	4	121.2578	0.594	4	121.2578	0.594	4	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	C[6a]-3:N-3:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NN[6a]C)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(NN[6a]C)(O)	O(CC[6a]N)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6]-3:N-3:C-3:	C(NC[6]N)(CCH)(O)	O(CCN)	N(C[6]C[6]N[6])(NPdC)(CCO)	C(NC[6]N)(CCH)(O)	O(CCN)	N(C[6]C[6]N[6])(NPdC)(CCO)	116.7185	0.361	2	116.7185	0.131	2	116.7185	0.131	2	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)2	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NHH)(O)	O(CNN)	N(C[6a]C[6a]2)2(CNO)	120.9125	0.402	2	120.9125	0.162	2	120.9125	0.162	2	120.4177	3.069	14	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	120.7450	0.000	1	120.7450	0.000	1	121.2786	0.521	5	121.0575	0.710	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.5050	0.902	3	121.5050	0.813	3	121.2786	0.521	5	121.0575	0.710	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.1330	0.000	1	121.1330	0.000	1	121.2786	0.521	5	121.0575	0.710	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:3:4:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)(CCHH)	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	121.0575	0.710	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[5a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	O(CC[5a]N)	N(CC[5a]O)(CC3)(H)	124.1920	0.000	1	124.1920	0.000	1	124.1920	0.000	1	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	O(CC[6]N)	N(CC[6]O)(CCHH)(H)	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NH3)(H)	122.4470	0.148	2	122.4470	0.022	2	122.4470	0.022	2	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(H)	121.6103	1.090	3	121.6103	1.188	3	121.5340	0.815	4	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]O)(CCHH)(H)	121.3050	0.000	1	121.3050	0.000	1	121.5340	0.815	4	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC3)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NC3)(H)	123.8520	0.000	1	123.8520	0.000	1	120.8025	5.250	4	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NCHH)(H)	120.5860	0.000	1	120.5860	0.000	1	120.8025	5.250	4	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	C[6a]-3:N-3:O-1:	C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	O(CC[6a]N)	N(CC[6a]O)(NH3)(H)	119.3860	1.546	2	119.3860	2.389	2	120.8025	5.250	4	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:1:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	O(CN[5]N)	N(CN[5]O)(CCHH)(H)	122.2400	0.000	1	122.2400	0.000	1	122.2400	0.000	1	121.8472	2.632	13	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:2:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CH3)(NC)	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(NCH)	C(C[6a]C[6a]2)(NCN)(O)	O(CC[6a]N)	N(CC[6a]O)(CCCH)(NCH)	120.7120	0.202	2	120.7120	0.041	2	120.7120	0.041	2	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	C[6a]-3:N-3:O-1:	C-3:	N[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)(NN[6]C)(O)	O(CC[6a]N)	N(N[6]C[6]2)(CC[6a]2H)(CC[6a]O)	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:C-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	O(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.7120	0.000	1	120.7120	0.000	1	120.7120	0.000	1	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(NCC)2(O)	O(CNN)	N(CC[6a]N)(CCCH)(CNO)	C(NCC)2(O)	O(CNN)	N(CC[6a]N)(CCCH)(CNO)	121.3400	0.000	1	121.3400	0.000	1	121.9177	0.267	3	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]C)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(CC[6a]C)(CH3)(CNO)	122.2065	0.185	2	122.2065	0.034	2	121.9177	0.267	3	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	121.8725	0.636	2	121.8725	0.404	2	121.8728	0.424	13	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NCN)(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)(NCN)(O)	O(CNN)	N(C[6a]C[6a]2)(CCHH)(CNO)	122.1720	0.000	1	122.1720	0.000	1	121.8728	0.424	13	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	121.7150	0.000	1	121.7150	0.000	1	121.8728	0.424	13	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	O(CNN)	N(C[6a]C[6a]2)(CH3)(CNO)	121.8571	0.756	9	121.8571	0.571	9	121.8728	0.424	13	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:3:	N-3:N-3:O-1:	C-3:	N[6]-3:C-4:C-3:	C(NN[6]C)(NHH)(O)	O(CNN)	N(N[6]C[6]2)(CH3)(CNO)	C(NN[6]C)(NHH)(O)	O(CNN)	N(N[6]C[6]2)(CH3)(CNO)	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	121.5477	0.908	21	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:4:	N[5]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[5]C[5,6]C[5])(NCC)(O)	O(CN[5]N)	N(CN[5]O)(CH3)2	C(N[5]C[5,6]C[5])(NCC)(O)	O(CN[5]N)	N(CN[5]O)(CH3)2	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	122.1720	0.038	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	3:4:4:	N[6]-3:N-3:O-1:	C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)2	C(N[6]C[6]2)(NCC)(O)	O(CN[6]N)	N(CN[6]O)(CCHH)2	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.1720	0.038	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]2C)(CC[6a]O)(H)	122.3675	0.264	2	122.3675	0.070	2	122.3010	0.048	3	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	O(CC[6a]N)	N(CC[6a]CH)(CC[6a]O)(H)	122.1680	0.000	1	122.1680	0.000	1	122.3010	0.048	3	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	C[6a]-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	O(CC[6a]N)	N(SC[6a]OO)(CC[6a]O)(H)	121.9417	1.768	4	121.9417	3.125	4	121.9417	3.125	4	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	O(CNN)	N(CH3)(CNO)(H)	121.8470	0.000	1	121.8470	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CCCH)(CNO)(H)	120.0020	0.000	1	120.0020	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.2110	0.000	1	122.2110	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CC3)(CNO)(H)	121.5220	0.000	1	121.5220	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)(NHN)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	O(CNN)	N(CC[6a]CC)(CNO)(H)	124.9500	0.713	4	124.9500	0.508	4	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC3)(CNO)(H)	123.4995	0.026	2	123.4995	0.001	2	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCCH)(CNO)(H)	120.2877	1.859	3	120.2877	3.455	3	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CCHH)(CNO)(H)	122.6090	0.000	1	122.6090	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[5]HH)(CNO)(H)	122.3220	0.000	1	122.3220	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6]CH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6]CH)(CNO)(H)	121.9815	0.504	2	121.9815	0.254	2	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6]HH)(CNO)(H)	121.9970	0.000	1	121.9970	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCH)2(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	O(CNN)	N(CC[6a]HH)(CNO)(H)	122.0273	0.647	9	122.0273	0.419	9	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	C(NC[6]H)(NCH)(O)	O(CNN)	N(CC[6a]CH)(CNO)(H)	122.0750	0.000	1	122.0750	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCCH)(CNO)(H)	123.6737	1.543	3	123.6737	2.380	3	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	O(CNN)	N(CCHH)(CNO)(H)	122.9740	0.119	3	122.9740	0.014	3	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(NCoC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	O(CNN)	N(CC3)(CNO)(H)	118.7120	0.000	1	118.7120	0.000	1	122.3746	2.555	35	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[5,5,6]-4:C-3:H-1:	C(NC[5,5,6]H)2(O)	O(CNN)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	O(CNN)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	123.1420	0.000	1	123.1420	0.000	1	123.1420	0.000	1	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	O(CNN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	123.9140	0.000	1	123.9140	0.000	1	123.9140	0.000	1	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	N-4:C-3:H-1:	C(NHH)(NHN)(O)	O(CNN)	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	O(CNN)	N(NH3)(CNO)(H)	120.1790	0.000	1	120.1790	0.000	1	122.6667	1.741	6	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	N-4:C-3:H-1:	C(NHN)2(O)	O(CNN)	N(NH3)(CNO)(H)	C(NHN)2(O)	O(CNN)	N(NH3)(CNO)(H)	123.1642	0.566	5	123.1642	0.320	5	122.6667	1.741	6	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NCH)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	119.8935	0.002	2	119.8935	0.000	2	121.0467	3.989	3	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N-3:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	O(CNN)	N(SC[6a]OO)(CNO)(H)	123.3530	0.000	1	123.3530	0.000	1	121.0467	3.989	3	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:1:	N[5]-3:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	O(CN[5]N)	N(C[6]C[6]2H)(CN[5]O)(H)	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	122.3585	2.331	54	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	C-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6a]C)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CC[6a]C)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.9610	0.000	1	120.9610	0.000	1	122.1180	2.677	2	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	C-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6a]N)(NCO)(O)	O(CCN)	N(CC[6a]HH)(CCO)(OC)	C(CC[6a]N)(NCO)(O)	O(CCN)	N(CC[6a]HH)(CCO)(OC)	123.2750	0.000	1	123.2750	0.000	1	122.1180	2.677	2	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[4]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[4]O)(O)	O(CC[6a]N)	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[4]O)(O)	O(CC[6a]N)	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	119.8110	0.000	1	119.8110	0.000	1	119.6975	0.026	2	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	C[6a]-3:N-3:O-1:	C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[6a]2)(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NC[6]O)(O)	O(CC[6a]N)	N(C[6]C[6]2H)(CC[6a]O)(OC)	119.5840	0.000	1	119.5840	0.000	1	119.6975	0.026	2	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-2:	C(NC[6a]C)(NCN)(O)	O(CNN)	N(CC[6a]HH)(CNO)(NC)	C(NC[6a]C)(NCN)(O)	O(CNN)	N(CC[6a]HH)(CNO)(NC)	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(NCO)(NHH)(O)	O(CNN)	N(CC[5a]CH)(CNO)(OH)	C(NCO)(NHH)(O)	O(CNN)	N(CC[5a]CH)(CNO)(OH)	119.2850	0.000	1	119.2850	0.000	1	119.5960	0.175	3	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(NC[6a]H)(NCO)(O)	O(CNN)	N(CH3)(CNO)(OC)	C(NC[6a]H)(NCO)(O)	O(CNN)	N(CH3)(CNO)(OC)	119.7515	0.453	2	119.7515	0.205	2	119.5960	0.175	3	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:2:	N-3:N-3:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(OH)	C(NC[5]O)(NCC)(O)	O(CNN)	N(C[5]C[5]2C)(CNO)(OH)	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	120.5784	2.506	10	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(NC[6a]2)(NCC)(O)	O(CNN)	N(CC3)(CCO)(CNO)	C(NC[6a]2)(NCC)(O)	O(CNN)	N(CC3)(CCO)(CNO)	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	121.3007	1.063	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCH)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(NCH)	C(NCH)(NCN)(O)	O(CNN)	N(CCHH)(CNO)(NCH)	120.2970	0.000	1	120.2970	0.000	1	120.7725	0.452	2	121.3007	1.063	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:3:3:	N-3:N-3:O-1:	C-3:	C-4:C-3:N-3:	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NCH)	C(NCH)(NCN)(O)	O(CNN)	N(CH3)(CNO)(NCH)	121.2480	0.000	1	121.2480	0.000	1	120.7725	0.452	2	121.3007	1.063	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:4:3:	N-3:C-3:O-1:	C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCH)(O)	O(CCN)	N(C[3]C[3]2H)(CCHH)(CCO)	C(NC[3]C)(CCH)(O)	O(CCN)	N(C[3]C[3]2H)(CCHH)(CCO)	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	121.0993	1.785	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(O)	O(CNN)	N(CCHH)2(CNO)	C(NCC)2(O)	O(CNN)	N(CCHH)2(CNO)	121.6630	0.000	1	121.6630	0.000	1	121.7290	0.022	3	121.0993	1.785	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(NCC)2(O)	O(CNN)	N(CH3)2(CNO)	C(NCC)2(O)	O(CNN)	N(CH3)2(CNO)	121.7620	0.194	2	121.7620	0.038	2	121.7290	0.022	3	121.0993	1.785	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	P-4:C-4:C-3:	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CCHH)(CNO)	C(NCP)2(O)	O(CNN)	N(PC[6a]2Pd)(CCHH)(CNO)	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	121.0993	1.785	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:3:1:	3:	4:4:3:	N-3:N-3:O-1:	C-3:	S-4:C-4:C-3:	C(NCC)(NCS)(O)	O(CNN)	N(SC[6a]OO)(CCHH)(CNO)	C(NCC)(NCS)(O)	O(CNN)	N(SC[6a]OO)(CCHH)(CNO)	122.4960	0.000	1	122.4960	0.000	1	122.4960	0.000	1	121.0993	1.785	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:2:3:	N-3:C-4:O-1:	C-3:	C[6a]-3:O-2:C-3:	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(OC[6])(CCO)	C(NC[6a]O)(CH3)(O)	O(CCN)	N(C[6a]C[6a]2)(OC[6])(CCO)	118.4110	0.474	2	118.4110	0.224	2	118.4110	0.224	2	118.4110	0.224	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	122.5460	0.000	1	122.5460	0.000	1	122.1613	0.264	3	122.1613	0.264	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	O(CCN)	N(C[6a]C[6a]N[6a])(CCO)(H)	121.5780	0.000	1	121.5780	0.000	1	122.1613	0.264	3	122.1613	0.264	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:1:	N-3:C-4:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	O(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.3600	0.000	1	122.3600	0.000	1	122.1613	0.264	3	122.1613	0.264	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(NC[5a]C)(CC3)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	119.2798	2.631	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCHO)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCHO)(O)	O(CCN)	N(N[6a]C[6a]2)(CCO)2	120.5020	1.356	2	120.5020	1.839	2	119.7530	2.603	3	119.2798	2.631	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:3:	N-3:C-4:O-1:	C-3:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CH3)(O)	O(CCN)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	C(NN[6a]C)(CH3)(O)	O(CCN)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	118.2550	0.000	1	118.2550	0.000	1	119.7530	2.603	3	119.2798	2.631	4	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:4:3:	N-3:C-4:O-1:	C-3:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	O(CCN)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	4:3:2:	N-3:C-4:O-1:	C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(OH)	C(NC[5]O)(CH3)(O)	O(CCN)	N(C[5]C[5]2C)(CCO)(OH)	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	118.0660	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCCN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.9607	1.368	3	123.9607	1.873	3	123.1590	1.457	10	123.2537	1.410	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCHH)(NHH)(O)	O(CCN)	N(CCO)(H)2	122.1992	0.293	4	122.1992	0.086	4	123.1590	1.457	10	123.2537	1.410	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CCHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.6180	1.676	2	123.6180	2.808	2	123.1590	1.457	10	123.2537	1.410	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:1:1:	C-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	C(CHHN)(NHH)(O)	O(CCN)	N(CCO)(H)2	123.6750	0.000	1	123.6750	0.000	1	123.1590	1.457	10	123.2537	1.410	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:1:1:	C[5]-4:N-3:O-1:	C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	O(CC[5]N)	N(CC[5]O)(H)2	124.2010	0.000	1	124.2010	0.000	1	124.2010	0.000	1	123.2537	1.410	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:2:1:	C[6]-4:N-3:O-1:	C-3:	C-3:N-2:H-1:	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	O(CC[6]N)	N(CC[6]O)(NC)(H)	124.0190	0.000	1	124.0190	0.000	1	124.0190	0.000	1	124.0190	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CCO)(CNS)(H)	121.5950	0.000	1	121.5950	0.000	1	121.5950	0.000	1	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	O(CCN)	N(CCO)(NHH)(H)	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CC[3x6]HH)(NHN)(O)	O(CCN)	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	O(CCN)	N(NSnC)(CCO)(H)	121.7170	0.000	1	121.7170	0.000	1	121.5415	0.062	2	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C-4:N-3:O-1:	C-3:	N-3:C-3:H-1:	C(CH3)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	O(CCN)	N(NC[6a]H)(CCO)(H)	121.3660	0.000	1	121.3660	0.000	1	121.5415	0.062	2	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C[3]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	O(CC[3]N)	N(C[6a]C[6a]2)(CC[3]O)(H)	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:1:	C[5]-4:N-3:O-1:	C-3:	C-3:S-3:H-1:	C(C[5]C[5]N[5]H)(NHS)(O)	O(CC[5]N)	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	O(CC[5]N)	N(CC[5]O)(SCO)(H)	121.6880	0.000	1	121.6880	0.000	1	121.6880	0.000	1	122.4343	2.183	6	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:4:	C[6,6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(NC[6a]C)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(NC[6a]C)(O)	O(CC[6,6]N)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.5520	0.032	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:3:4:	C[6]-4:N-3:O-1:	C-3:	C[6a]-3:C-3:C-4:	C(C[6]C[6]2H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C(C[6]C[6]2H)(NC[6a]C)(O)	O(CC[6]N)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	120.5520	0.032	2	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:1:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	O(CC[3]N)	N(CC[3]O)(CCCH)(H)	121.8840	0.000	1	121.8840	0.000	1	121.8840	0.000	1	122.7107	0.769	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Co)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Co)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCHH)(H)	123.6300	0.000	1	123.6300	0.000	1	123.1240	0.512	2	122.7107	0.769	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:1:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:H-1:	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	O(CC[5]N)	N(CC[5]O)(CCCH)(H)	122.6180	0.000	1	122.6180	0.000	1	123.1240	0.512	2	122.7107	0.769	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:2:	C[3,5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[3,5]C[3,5,6]C[3]N[5])(NCO)(O)	O(CC[3,5]N)	N(CC[3,5]O)(CH3)(OC)	C(C[3,5]C[3,5,6]C[3]N[5])(NCO)(O)	O(CC[3,5]N)	N(CC[3,5]O)(CH3)(OC)	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	120.1650	0.506	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:2:	C[3]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[3]C[3]2C)(NCO)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(OC)	C(C[3]C[3]2C)(NCO)(O)	O(CC[3]N)	N(CC[3]O)(CH3)(OC)	119.5030	0.140	2	119.5030	0.020	2	119.5030	0.020	2	120.1650	0.506	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[5]C[5,6a]C[6a]C[5])(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	C(C[5]C[5,6a]C[6a]C[5])(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	120.6540	0.000	1	120.6540	0.000	1	120.3580	0.175	2	120.1650	0.506	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:2:	C[5]-4:N-3:O-1:	C-3:	C-3:C-4:O-2:	C(C[5]C[5]2H)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	C(C[5]C[5]2H)(NCO)(O)	O(CC[5]N)	N(CC[5]O)(CH3)(OC)	120.0620	0.000	1	120.0620	0.000	1	120.3580	0.175	2	120.1650	0.506	5	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	3:4:3:	C-4:N-3:O-1:	C-3:	C[5a]-3:S-4:C-3:	C(CC[6a]HH)(NC[5a]S)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(CC[6a]HH)(NC[5a]S)(O)	O(CCN)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	121.8805	0.490	2	121.8805	0.240	2	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	121.0010	0.000	1	121.0010	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	O(CCN)	N(CC[5a]CH)(CCO)(H)	122.5200	0.000	1	122.5200	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	123.8120	0.000	1	123.8120	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	123.7078	0.967	4	123.7078	0.935	4	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	121.1070	0.000	1	121.1070	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CCl3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	125.1250	0.000	1	125.1250	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	O(CCN)	N(CCHH)(CCO)(H)	122.3290	0.000	1	122.3290	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	O(CCN)	N(CCCH)(CCO)(H)	121.9450	0.000	1	121.9450	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	O(CCN)	N(CC3)(CCO)(H)	124.9430	0.000	1	124.9430	0.000	1	122.9553	1.988	14	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C-4:N-3:O-1:	C-3:	S-4:C-3:H-1:	C(CCHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	O(CCN)	N(SC[6a]OO)(CCO)(H)	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:1:	C[5]-4:N-3:O-1:	C-3:	C[6]-4:C-3:H-1:	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	O(CC[5]N)	N(C[6]C[6]2H)(CC[5]O)(H)	125.1350	0.000	1	125.1350	0.000	1	125.1350	0.000	1	123.0255	2.109	16	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	O(CCN)	N(CC[6a]CH)(CCO)(OC)	C(CCHH)(NCO)(O)	O(CCN)	N(CC[6a]CH)(CCO)(OC)	119.7730	0.515	2	119.7730	0.265	2	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.0615	0.565	2	120.0615	0.319	2	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CCHN)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CCHN)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	120.3160	0.000	1	120.3160	0.000	1	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[5]CH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CC[5]CH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	119.2420	0.206	2	119.2420	0.043	2	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6]HH)(NCO)(O)	O(CCN)	N(CC[5a]CO)(CCO)(OC)	C(CC[6]HH)(NCO)(O)	O(CCN)	N(CC[5a]CO)(CCO)(OC)	121.7800	0.000	1	121.7800	0.000	1	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CC[6]HH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	C(CC[6]HH)(NCO)(O)	O(CCN)	N(CH3)(CCO)(OC)	118.9650	0.000	2	118.9650	0.000	2	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:2:	C-4:N-3:O-1:	C-3:	C-4:C-3:O-2:	C(CHHN)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OC)	C(CHHN)(NCO)(O)	O(CCN)	N(CCHH)(CCO)(OC)	123.2420	0.000	1	123.2420	0.000	1	120.1292	1.762	11	120.1292	1.762	11	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:3:3:	C-4:N-3:O-1:	C-3:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CC3)(CCO)(CNO)	C(CH3)(NCC)(O)	O(CCN)	N(CC3)(CCO)(CNO)	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CH3)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	120.4630	0.000	1	120.4630	0.000	1	122.3810	2.916	3	122.3810	2.916	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CCHH)2(CCO)	123.7360	0.000	1	123.7360	0.000	1	122.3810	2.916	3	122.3810	2.916	3	122.5729	4.653	464	122.5729	4.653	464
930	863	956	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:4:3:	C-4:N-3:O-1:	C-3:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	O(CCN)	N(CC[6a]HH)(CCHH)(CCO)	122.9440	0.000	1	122.9440	0.000	1	122.3810	2.916	3	122.3810	2.916	3	122.5729	4.653	464	122.5729	4.653	464