@<TRIPOS>MOLECULE
DB04638
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7352    -0.7720     0.5234	O.3	1	noname	-0.2877
2	C1     0.0723     0.2964     0.3529	C.2	1	noname	-0.0188
3	C2     1.4477     0.1198     0.2576	C.2	1	noname	-0.0250
4	C3    -0.4718     1.5730     0.2726	C.2	1	noname	-0.0263
5	C4     2.2791     1.2199     0.0821	C.2	1	noname	-0.0263
6	C5     2.0192    -1.2211     0.3419	C.3	1	noname	0.0270
7	C6     0.3596     2.6730     0.0971	C.2	1	noname	-0.0250
8	C7     1.7351     2.4964     0.0018	C.2	1	noname	-0.0188
9	C8     2.1017    -1.8293    -1.0595	C.3	1	noname	-0.0560
10	C9     3.4224    -1.1403     0.9463	C.3	1	noname	-0.0560
11	C10     1.1322    -2.0987     1.2274	C.3	1	noname	-0.0560
12	C11    -0.2118     4.0139     0.0127	C.3	1	noname	0.0270
13	O2     2.5425     3.5648    -0.1687	O.3	1	noname	-0.2877
14	C12    -0.2944     4.6221     1.4142	C.3	1	noname	-0.0560
15	C13    -1.6151     3.9331    -0.5917	C.3	1	noname	-0.0560
16	C14     0.6751     4.8915    -0.8727	C.3	1	noname	-0.0560
17	H1    -0.8577    -0.9341     1.4616	H	1	noname	0.2182
18	H2    -1.5504     1.7114     0.3473	H	1	noname	0.0654
19	H3     3.3577     1.0814     0.0074	H	1	noname	0.0654
20	H4     2.0973    -2.9167    -0.9845	H	1	noname	0.0239
21	H5     1.2449    -1.5023    -1.6486	H	1	noname	0.0239
22	H6     3.0218    -1.5023    -1.5439	H	1	noname	0.0239
23	H7     3.3504    -1.1445     2.0339	H	1	noname	0.0239
24	H8     4.0094    -1.9980     0.6178	H	1	noname	0.0239
25	H9     3.9072    -0.2210     0.6178	H	1	noname	0.0239
26	H10     1.3443    -1.8888     2.2757	H	1	noname	0.0239
27	H11     0.0842    -1.8836     1.0186	H	1	noname	0.0239
28	H12     1.3362    -3.1489     1.0186	H	1	noname	0.0239
29	H13     2.8028     3.9092     0.6887	H	1	noname	0.2182
30	H14    -0.3380     3.8236     2.1549	H	1	noname	0.0239
31	H15     0.5865     5.2380     1.5954	H	1	noname	0.0239
32	H16    -1.1904     5.2380     1.4908	H	1	noname	0.0239
33	H17    -2.3536     3.8906     0.2089	H	1	noname	0.0239
34	H18    -1.7968     4.8141    -1.2072	H	1	noname	0.0239
35	H19    -1.6946     3.0371    -1.2072	H	1	noname	0.0239
36	H20     1.3085     5.5182    -0.2449	H	1	noname	0.0239
37	H21     1.3003     4.2581    -1.5020	H	1	noname	0.0239
38	H22     0.0484     5.5234    -1.5020	H	1	noname	0.0239
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	6	10	1
10	6	11	1
11	7	12	1
12	7	8	1
13	8	13	1
14	12	14	1
15	12	15	1
16	12	16	1
17	1	17	1
18	4	18	1
19	5	19	1
20	9	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	10	25	1
26	11	26	1
27	11	27	1
28	11	28	1
29	13	29	1
30	14	30	1
31	14	31	1
32	14	32	1
33	15	33	1
34	15	34	1
35	15	35	1
36	16	36	1
37	16	37	1
38	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1