@<TRIPOS>MOLECULE
DB04392
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9104    -0.7587     0.1486	O.2	1	noname	-0.2459
2	C1     2.4950     0.3456     0.1843	C.2	1	noname	0.1642
3	O2     3.4252     0.7166     1.2175	O.3	1	noname	-0.1406
4	C2     2.2883     1.4684    -0.8942	C.3	1	noname	0.1099
5	C3     4.6427     1.1220     0.7174	C.2	1	noname	0.0434
6	C4     3.5735     2.2050    -1.3145	C.2	1	noname	0.1124
7	C5     1.2320     2.5429    -0.5556	C.3	1	noname	-0.0139
8	C6     4.7532     1.9341    -0.4803	C.2	1	noname	0.0206
9	C7     5.8056     0.7630     1.4478	C.2	1	noname	-0.0071
10	O3     3.6111     2.9786    -2.2956	O.2	1	noname	-0.2904
11	C8    -0.1287     1.8578    -0.3474	C.3	1	noname	0.1099
12	C9     5.9971     2.4457    -0.9203	C.2	1	noname	-0.0085
13	C10     7.0579     1.2605     0.9889	C.2	1	noname	-0.0306
14	C11    -1.3009     2.7165     0.1501	C.2	1	noname	0.1642
15	C12    -0.6351     0.9956    -1.5335	C.2	1	noname	0.1124
16	C13     7.1494     2.0972    -0.1625	C.2	1	noname	-0.0518
17	O4    -1.3216     3.9663     0.1541	O.2	1	noname	-0.2459
18	O5    -2.3863     1.8617     0.6171	O.3	1	noname	-0.1406
19	O6    -0.1250     0.9932    -2.6747	O.2	1	noname	-0.2904
20	C14    -1.8124     0.1688    -1.1322	C.2	1	noname	0.0206
21	C15    -2.6367     0.6354    -0.0475	C.2	1	noname	0.0434
22	C16    -2.1249    -1.0054    -1.8811	C.2	1	noname	-0.0085
23	C17    -3.7882    -0.1173     0.3469	C.2	1	noname	-0.0071
24	C18    -3.2976    -1.7207    -1.5008	C.2	1	noname	-0.0518
25	C19    -4.1194    -1.2845    -0.4050	C.2	1	noname	-0.0306
26	H1     1.9195     0.8854    -1.7381	H	1	noname	0.0495
27	H2     1.5162     2.9773     0.4028	H	1	noname	0.0292
28	H3     1.1331     3.1797    -1.4347	H	1	noname	0.0292
29	H4     5.7391     0.1272     2.3307	H	1	noname	0.0650
30	H5     0.1673     1.2231     0.4878	H	1	noname	0.0495
31	H6     6.0646     3.0802    -1.8040	H	1	noname	0.0631
32	H7     7.9658     0.9952     1.5306	H	1	noname	0.0623
33	H8     8.1226     2.4793    -0.4705	H	1	noname	0.0622
34	H9    -1.4963    -1.3407    -2.7061	H	1	noname	0.0631
35	H10    -4.3968     0.1902     1.1973	H	1	noname	0.0650
36	H11    -3.5708    -2.6170    -2.0577	H	1	noname	0.0622
37	H12    -5.0121    -1.8504    -0.1388	H	1	noname	0.0623
@<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	1
7	5	8	2
8	5	9	1
9	6	10	2
10	6	8	1
11	11	7	1
12	8	12	1
13	9	13	2
14	11	14	1
15	11	15	1
16	12	16	2
17	13	16	1
18	14	17	2
19	14	18	1
20	15	19	2
21	15	20	1
22	18	21	1
23	20	22	1
24	20	21	2
25	21	23	1
26	22	24	2
27	23	25	2
28	24	25	1
29	4	26	1
30	7	27	1
31	7	28	1
32	9	29	1
33	11	30	1
34	12	31	1
35	13	32	1
36	16	33	1
37	22	34	1
38	23	35	1
39	24	36	1
40	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1