@<TRIPOS>MOLECULE
50394888
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0066    -6.5396     0.3098	O.3	1	noname	-0.2487
2	C1     3.7854    -5.2235     0.5137	C.2	1	noname	0.0326
3	C2     2.9064    -7.1016    -0.3902	C.3	1	noname	0.0440
4	N1     4.2127    -4.3103    -0.4332	N.2	1	noname	-0.2277
5	C3     3.1213    -4.8071     1.6915	C.2	1	noname	0.0028
6	C4     4.0294    -2.9384    -0.3094	C.2	1	noname	0.0077
7	C5     2.9408    -3.3935     1.8035	C.2	1	noname	-0.0265
8	C6     3.3623    -2.4265     0.8588	C.2	1	noname	-0.0101
9	N2     3.1634    -1.0784     1.0158	N.3	1	noname	0.0130
10	C7     2.6555    -0.0246     1.7989	C.2	1	noname	0.0624
11	N3     2.9697     1.0762     1.0339	N.2	1	noname	-0.2486
12	C8     1.9631     0.2059     3.0594	C.2	1	noname	0.0099
13	C9     2.6855     2.3734     1.3587	C.2	1	noname	0.0086
14	C10     1.5006    -0.6903     4.0696	C.2	1	noname	0.0827
15	C11     1.6763     1.5810     3.3769	C.2	1	noname	-0.0056
16	C12     2.0189     2.6699     2.5605	C.2	1	noname	-0.0422
17	N4     0.8552    -0.2368     5.2066	N.2	1	noname	-0.2174
18	N5     1.6836    -2.0302     3.9412	N.2	1	noname	-0.2388
19	C13     0.4123    -1.0836     6.1721	C.2	1	noname	0.0964
20	C14     1.2450    -2.8962     4.9018	C.2	1	noname	0.0686
21	N6     0.6151    -2.4056     6.0036	N.2	1	noname	-0.2276
22	N7    -0.2099    -0.6170     7.2633	N.3	1	noname	-0.0771
23	C15     1.4498    -4.3336     4.7481	C.3	1	noname	0.0696
24	H1     2.1737    -7.4759     0.3248	H	1	noname	0.0535
25	H2     2.4456    -6.3376    -1.0164	H	1	noname	0.0535
26	H3     3.2553    -7.9227    -1.0164	H	1	noname	0.0535
27	H4     2.7785    -5.5140     2.4470	H	1	noname	0.0667
28	H5     4.3965    -2.2859    -1.1017	H	1	noname	0.0857
29	H6     2.4343    -3.0178     2.6925	H	1	noname	0.0641
30	H7     3.5752    -0.6861     0.1812	H	1	noname	0.1358
31	H8     2.9867     3.1612     0.6682	H	1	noname	0.0839
32	H9     1.1596     1.8158     4.3075	H	1	noname	0.0631
33	H10     1.7793     3.6943     2.8454	H	1	noname	0.0639
34	H11     0.3155    -0.4411     8.1078	H	1	noname	0.1273
35	H12    -1.2042    -0.4411     7.2414	H	1	noname	0.1273
36	H13     1.5160    -4.7984     5.7318	H	1	noname	0.0312
37	H14     0.6120    -4.7633     4.1989	H	1	noname	0.0312
38	H15     2.3742    -4.5122     4.1989	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	14	18	1
19	15	16	1
20	17	19	1
21	18	20	2
22	19	21	2
23	19	22	1
24	20	23	1
25	20	21	1
26	3	24	1
27	3	25	1
28	3	26	1
29	5	27	1
30	6	28	1
31	7	29	1
32	9	30	1
33	13	31	1
34	15	32	1
35	16	33	1
36	22	34	1
37	22	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1