@<TRIPOS>MOLECULE
59940052
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5978    -2.2510     0.8836	O.3	1	noname	-0.3869
2	O2     3.6172     0.3612     1.6571	O.3	1	noname	-0.2857
3	N1    -3.0089    -0.7795     0.1703	N.3	1	noname	-0.2991
4	C1    -1.6634    -0.1593     0.1708	C.3	1	noname	0.0286
5	C2    -0.5748    -1.2362    -0.1227	C.3	1	noname	0.0919
6	C3    -4.0270     0.1722     0.7276	C.3	1	noname	0.0232
7	C4     0.7062    -0.5654    -0.3248	C.2	1	noname	-0.0328
8	C5    -5.3269    -0.4688     1.0616	C.2	1	noname	-0.0487
9	C6    -3.3351    -1.3196    -1.2056	C.3	1	noname	-0.0128
10	C7     1.5608    -0.3964     0.7779	C.2	1	noname	-0.0199
11	C8     1.0452    -0.0713    -1.6108	C.2	1	noname	-0.0605
12	C9    -6.4598     0.3379     1.2983	C.2	1	noname	-0.0531
13	C10    -5.4881    -1.8873     1.0353	C.2	1	noname	-0.0531
14	C11     2.7947     0.2324     0.5908	C.2	1	noname	0.0014
15	C12     2.2846     0.5590    -1.7876	C.2	1	noname	-0.0491
16	C13     3.1556     0.7039    -0.6885	C.2	1	noname	-0.0319
17	C14    -7.7297    -0.2739     1.4303	C.2	1	noname	-0.0595
18	C15    -6.7475    -2.4865     1.0385	C.2	1	noname	-0.0595
19	C16    -7.8767    -1.6731     1.2771	C.2	1	noname	-0.0613
20	H1    -1.6621     0.6512    -0.5695	H	1	noname	0.0461
21	H2    -1.4165     0.3269     1.1338	H	1	noname	0.0461
22	H3    -0.7396    -1.7734    -1.0531	H	1	noname	0.0665
23	H4    -4.1495     0.9736    -0.0073	H	1	noname	0.0481
24	H5    -3.7116     0.6735     1.6470	H	1	noname	0.0481
25	H6    -4.2882    -1.8521    -1.2890	H	1	noname	0.0394
26	H7    -3.3086    -0.5064    -1.9308	H	1	noname	0.0394
27	H8    -2.5269    -1.9927    -1.4918	H	1	noname	0.0394
28	H9     1.2815    -0.7275     1.7121	H	1	noname	0.0653
29	H10     0.3998    -0.1675    -2.4160	H	1	noname	0.0626
30	H11     0.0902    -2.9208     0.6878	H	1	noname	0.2109
31	H12    -6.3663     1.3648     1.3605	H	1	noname	0.0626
32	H13    -4.6892    -2.5197     0.9752	H	1	noname	0.0626
33	H14     2.5448     0.9042    -2.7166	H	1	noname	0.0623
34	H15     4.0596     1.1547    -0.8182	H	1	noname	0.0650
35	H16    -8.5377     0.3072     1.6900	H	1	noname	0.0622
36	H17    -6.8447    -3.4888     0.8196	H	1	noname	0.0622
37	H18    -8.7973    -2.1210     1.3682	H	1	noname	0.0622
38	H19     4.4399     0.8171     1.3819	H	1	noname	0.2181
@<TRIPOS>BOND
1	5	1	1
2	1	30	1
3	2	14	1
4	2	38	1
5	3	4	1
6	3	6	1
7	3	9	1
8	4	5	1
9	4	20	1
10	4	21	1
11	5	7	1
12	5	22	1
13	6	8	1
14	6	23	1
15	6	24	1
16	7	10	2
17	7	11	1
18	8	12	2
19	8	13	1
20	9	25	1
21	9	26	1
22	9	27	1
23	10	14	1
24	10	28	1
25	11	15	2
26	11	29	1
27	12	17	1
28	12	31	1
29	13	18	2
30	13	32	1
31	14	16	2
32	15	16	1
33	15	33	1
34	16	34	1
35	17	19	2
36	17	35	1
37	18	19	1
38	18	36	1
39	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1