@<TRIPOS>MOLECULE
DB02503
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9356    -3.7288     0.0890	O.2	1	noname	-0.2623
2	C1    -1.0273    -3.2565     0.8062	C.2	1	noname	0.0912
3	O2    -0.5455    -3.9727     1.8441	O.3	1	noname	-0.2211
4	C2    -0.5243    -2.0211     0.5407	C.2	1	noname	0.0588
5	C3     0.4422    -1.5186     1.3038	C.2	1	noname	-0.0049
6	C4     0.9452    -0.2832     1.0383	C.2	1	noname	-0.0206
7	C5     0.9635     0.1940    -0.2671	C.2	1	noname	-0.0378
8	C6     1.4410     0.5022     2.0724	C.2	1	noname	-0.0378
9	C7     1.4776     1.4566    -0.5383	C.2	1	noname	-0.0230
10	C8     1.9551     1.7648     1.8012	C.2	1	noname	-0.0230
11	C9     1.9734     2.2420     0.4958	C.2	1	noname	-0.0331
12	B1     2.5540     3.6682     0.1894	B	1	noname	0.1129
13	O3     1.4657     4.5364    -0.4451	O.3	1	noname	-0.2911
14	O4     3.7335     3.5418    -0.7770	O.3	1	noname	-0.2911
15	H1    -0.6334    -4.9097     1.6546	H	1	noname	0.2216
16	H2    -0.8999    -1.4273    -0.2926	H	1	noname	0.0686
17	H3     0.8178    -2.1124     2.1371	H	1	noname	0.0631
18	H4     0.5747    -0.4219    -1.0780	H	1	noname	0.0628
19	H5     1.4267     0.1280     3.0961	H	1	noname	0.0628
20	H6     1.4919     1.8308    -1.5620	H	1	noname	0.0619
21	H7     2.3439     2.3808     2.6121	H	1	noname	0.0619
22	H8     0.9446     4.9521     0.2458	H	1	noname	0.1901
23	H9     4.5486     3.4544    -0.2773	H	1	noname	0.1901
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	12	13	1
14	12	14	1
15	3	15	1
16	4	16	1
17	5	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	13	22	1
23	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1