@<TRIPOS>MOLECULE
DB01856
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1250    -2.5250     0.0000	O.2	1	noname	-0.2559
2	C1     3.5000    -1.4425     0.0000	C.2	1	noname	0.1348
3	O2     4.1750    -0.2734     0.0000	O.3	1	noname	-0.2189
4	C2     2.0400    -1.4425     0.0000	C.3	1	noname	0.0335
5	C3     1.5300     0.0000     0.0000	C.3	1	noname	-0.0439
6	C4     0.0000     0.0000     0.0000	C.3	1	noname	-0.0523
7	C5    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0439
8	C6    -2.0400     1.4425     0.0000	C.3	1	noname	0.0335
9	C7    -2.5267     2.8190     0.0000	C.2	1	noname	0.1348
10	O3    -3.7556     3.0474     0.0000	O.2	1	noname	-0.2559
11	O4    -1.6494     3.8451     0.0000	O.3	1	noname	-0.2189
12	H1     4.3350     0.0038     0.9051	H	1	noname	0.2213
13	H2     1.7402    -1.8977    -0.9440	H	1	noname	0.0372
14	H3     1.7402    -1.8977     0.9440	H	1	noname	0.0372
15	H4     1.8447     0.4450     0.9440	H	1	noname	0.0272
16	H5     1.8447     0.4450    -0.9440	H	1	noname	0.0272
17	H6    -0.3147    -0.4450    -0.9440	H	1	noname	0.0267
18	H7    -0.3147    -0.4450     0.9440	H	1	noname	0.0267
19	H8    -0.1953     1.8875     0.9440	H	1	noname	0.0272
20	H9    -0.1953     1.8875    -0.9440	H	1	noname	0.0272
21	H10    -2.3692     1.0082    -0.9440	H	1	noname	0.0372
22	H11    -2.3692     1.0082     0.9440	H	1	noname	0.0372
23	H12    -1.4415     4.0883     0.9051	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	2
10	9	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1