@<TRIPOS>MOLECULE
DB07032
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3979     0.3361    -0.0147	O.3	1	noname	-0.3657
2	C1     0.0654     0.1218     0.0227	C.2	1	noname	0.0180
3	C2     1.6146     1.6698     0.1269	C.2	1	noname	0.0578
4	C3    -0.5832     1.3700     0.1531	C.2	1	noname	0.0108
5	C4    -0.6624    -1.0960    -0.0743	C.2	1	noname	0.0037
6	C5     2.8660     2.2746     0.1453	C.2	1	noname	-0.0394
7	C6     0.3986     2.3455     0.2512	C.2	1	noname	0.0033
8	C7    -1.9980     1.4925     0.1161	C.2	1	noname	0.0002
9	C8    -2.0944    -1.0051    -0.0217	C.2	1	noname	-0.0096
10	C9     3.9199     1.7130    -0.5659	C.2	1	noname	-0.0191
11	C10     3.0635     3.4411     0.8750	C.2	1	noname	-0.0191
12	C11    -2.7544     0.2733     0.0483	C.2	1	noname	0.0096
13	C12     5.1713     2.3178    -0.5475	C.2	1	noname	-0.0228
14	C13     4.3148     4.0459     0.8935	C.2	1	noname	-0.0228
15	O2    -4.1033     0.3264     0.0501	O.3	1	noname	-0.2851
16	C14     5.3688     3.4843     0.1822	C.2	1	noname	0.0111
17	O3     6.5841     4.0717     0.2001	O.3	1	noname	-0.2848
18	H1    -0.1485    -2.0511    -0.1836	H	1	noname	0.0651
19	H2     0.2470     3.4153     0.3954	H	1	noname	0.0657
20	H3    -2.4780     2.4708     0.1386	H	1	noname	0.0657
21	H4    -2.6886    -1.9188    -0.0350	H	1	noname	0.0650
22	H5     3.7651     0.7983    -1.1381	H	1	noname	0.0630
23	H6     2.2370     3.8815     1.4328	H	1	noname	0.0630
24	H7     5.9978     1.8774    -1.1052	H	1	noname	0.0650
25	H8     4.4697     4.9606     1.4657	H	1	noname	0.0650
26	H9    -4.4218     0.3389     0.9557	H	1	noname	0.2181
27	H10     6.8614     4.2057     1.1094	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	4	7	1
9	5	9	2
10	6	10	2
11	6	11	1
12	8	12	2
13	9	12	1
14	10	13	1
15	11	14	2
16	12	15	1
17	13	16	2
18	14	16	1
19	16	17	1
20	5	18	1
21	7	19	1
22	8	20	1
23	9	21	1
24	10	22	1
25	11	23	1
26	13	24	1
27	14	25	1
28	15	26	1
29	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1