@<TRIPOS>MOLECULE
DB03083
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4126     1.0138    -1.9573	O.2	1	noname	-0.2755
2	C1     1.4587     0.9062    -1.1572	C.2	1	noname	0.1001
3	N1     1.3087    -0.1844    -0.3673	N.3	1	noname	-0.1342
4	C2     0.4912     1.8452    -0.8888	C.2	1	noname	0.0484
5	C3     0.1951    -0.0179     0.3289	C.2	1	noname	-0.0001
6	C4    -0.4295     1.1696    -0.0868	C.2	1	noname	-0.0124
7	C5     0.6471     3.1413    -1.2526	C.2	1	noname	0.0161
8	C6    -0.3171    -0.8746     1.3454	C.2	1	noname	-0.0302
9	C7    -1.7488     1.4520     0.3901	C.2	1	noname	-0.0313
10	C8     0.0012     4.3535    -0.9897	C.2	1	noname	-0.0003
11	C9    -1.5894    -0.5083     1.8747	C.2	1	noname	-0.0454
12	C10    -2.3345     0.6117     1.3985	C.2	1	noname	-0.0560
13	C11     0.0725     5.4339    -1.9255	C.2	1	noname	0.0255
14	C12    -0.7768     4.5782     0.1926	C.2	1	noname	0.0255
15	O2     1.1043     5.5936    -2.7948	O.3	1	noname	-0.2716
16	C13    -0.9283     6.4510    -1.9265	C.2	1	noname	-0.0120
17	O3    -0.5904     3.8831     1.3330	O.3	1	noname	-0.2716
18	C14    -1.7610     5.5954     0.2167	C.2	1	noname	-0.0120
19	C15     0.8153     4.9072    -4.0038	C.3	1	noname	0.0423
20	C16    -1.8710     6.4953    -0.8701	C.2	1	noname	0.0152
21	C17     0.3637     4.5521     2.1445	C.3	1	noname	0.0423
22	O4    -2.8753     7.3969    -0.8999	O.3	1	noname	-0.2747
23	C18    -3.9982     6.8328    -1.5613	C.3	1	noname	0.0423
24	H1     1.9220    -0.9846    -0.3076	H	1	noname	0.1374
25	H2     1.5030     3.2307    -1.9217	H	1	noname	0.0639
26	H3     0.2278    -1.7516     1.6947	H	1	noname	0.0639
27	H4    -2.3031     2.3003    -0.0114	H	1	noname	0.0629
28	H5    -2.0110    -1.1112     2.6789	H	1	noname	0.0623
29	H6    -3.3278     0.8205     1.7957	H	1	noname	0.0622
30	H7    -0.9724     7.1884    -2.7280	H	1	noname	0.0678
31	H8    -2.4328     5.6855     1.0703	H	1	noname	0.0678
32	H9     0.8569     3.8319    -3.8300	H	1	noname	0.0535
33	H10    -0.1820     5.1814    -4.3477	H	1	noname	0.0535
34	H11     1.5492     5.1814    -4.7616	H	1	noname	0.0535
35	H12     0.1269     4.3861     3.1955	H	1	noname	0.0535
36	H13     1.3592     4.1632     1.9305	H	1	noname	0.0535
37	H14     0.3373     5.6206     1.9305	H	1	noname	0.0535
38	H15    -4.7132     6.4737    -0.8211	H	1	noname	0.0535
39	H16    -4.4712     7.5912    -2.1852	H	1	noname	0.0535
40	H17    -3.6722     6.0007    -2.1852	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	6	2
9	6	9	1
10	7	10	1
11	8	11	2
12	9	12	2
13	10	13	2
14	10	14	1
15	11	12	1
16	13	15	1
17	13	16	1
18	14	17	1
19	14	18	2
20	15	19	1
21	16	20	2
22	17	21	1
23	18	20	1
24	20	22	1
25	22	23	1
26	3	24	1
27	7	25	1
28	8	26	1
29	9	27	1
30	11	28	1
31	12	29	1
32	16	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	21	35	1
38	21	36	1
39	21	37	1
40	23	38	1
41	23	39	1
42	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1