@<TRIPOS>MOLECULE
DB03515
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.5100     1.3325     0.6752	O.2	1	noname	-0.2971
2	C1     5.4031     1.9062     0.5848	C.2	1	noname	0.1372
3	C2     4.3084     1.6182    -0.4423	C.3	1	noname	0.0333
4	C3     4.8778     3.0437     1.4901	C.3	1	noname	0.0073
5	C4     3.0541     1.9502     0.4212	C.3	1	noname	-0.0031
6	C5     4.3486     0.1249    -0.8991	C.3	1	noname	-0.0362
7	C6     4.5330     2.4466    -1.7422	C.3	1	noname	-0.0521
8	C7     3.3804     3.2425     1.1888	C.3	1	noname	-0.0385
9	C8     1.8104     1.6718    -0.3855	C.2	1	noname	-0.0431
10	C9     2.9474    -0.5691    -0.9534	C.3	1	noname	-0.0260
11	C10     1.8066     0.4379    -1.1462	C.2	1	noname	-0.0372
12	C11     0.7666     2.6335    -0.5141	C.2	1	noname	-0.0488
13	C12     0.7802     0.2644    -2.1319	C.2	1	noname	-0.0455
14	C13    -0.3039     2.3952    -1.3812	C.2	1	noname	-0.0430
15	C14    -0.2943     1.2441    -2.2029	C.2	1	noname	-0.0316
16	C15     0.8183    -0.7917    -3.1058	C.2	1	noname	-0.0366
17	C16    -1.3171     1.1430    -3.1824	C.2	1	noname	-0.0186
18	C17    -0.1894    -0.8698    -4.0976	C.2	1	noname	-0.0272
19	C18    -1.2340     0.0778    -4.1363	C.2	1	noname	0.0029
20	O2    -2.1783    -0.0219    -5.0958	O.3	1	noname	-0.2855
21	H1     4.9521     2.6945     2.5200	H	1	noname	0.0346
22	H2     5.3883     3.9575     1.1863	H	1	noname	0.0346
23	H3     2.7431     1.3205     1.2548	H	1	noname	0.0362
24	H4     4.7116     0.1403    -1.9268	H	1	noname	0.0280
25	H5     4.9116    -0.4040    -0.1301	H	1	noname	0.0280
26	H6     4.6784     1.7695    -2.5840	H	1	noname	0.0241
27	H7     3.6619     3.0750    -1.9277	H	1	noname	0.0241
28	H8     5.4158     3.0750    -1.6246	H	1	noname	0.0241
29	H9     2.8333     3.2317     2.1315	H	1	noname	0.0277
30	H10     3.2738     4.0857     0.5064	H	1	noname	0.0277
31	H11     2.9453    -1.1946    -1.8461	H	1	noname	0.0316
32	H12     2.7851    -1.0176     0.0267	H	1	noname	0.0316
33	H13     0.7873     3.5616     0.0572	H	1	noname	0.0625
34	H14    -1.1360     3.0985    -1.4162	H	1	noname	0.0629
35	H15     1.6144    -1.5361    -3.0922	H	1	noname	0.0630
36	H16    -2.1386     1.8592    -3.2014	H	1	noname	0.0656
37	H17    -0.1606    -1.6680    -4.8394	H	1	noname	0.0650
38	H18    -2.3552    -0.9482    -5.2756	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	8	1
10	6	10	1
11	9	11	2
12	9	12	1
13	10	11	1
14	11	13	1
15	12	14	2
16	13	15	1
17	13	16	2
18	14	15	1
19	15	17	2
20	16	18	1
21	17	19	1
22	18	19	2
23	19	20	1
24	4	21	1
25	4	22	1
26	5	23	1
27	6	24	1
28	6	25	1
29	7	26	1
30	7	27	1
31	7	28	1
32	8	29	1
33	8	30	1
34	10	31	1
35	10	32	1
36	12	33	1
37	14	34	1
38	16	35	1
39	17	36	1
40	18	37	1
41	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1