@<TRIPOS>MOLECULE
DB02728
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3244     1.1404    -0.2928	O.2	1	noname	-0.2454
2	C1     2.0845     1.1755    -0.1383	C.2	1	noname	0.1477
3	O2     1.3738     0.0069     0.0219	O.3	1	noname	-0.1424
4	C2     1.4047     2.4153    -0.1272	C.2	1	noname	0.1368
5	C3     0.0050    -0.0289     0.1918	C.2	1	noname	0.0277
6	C4     2.1041     3.6061    -0.2852	C.2	1	noname	0.1330
7	C5     0.0022     2.4237     0.0471	C.2	1	noname	0.0441
8	C6    -0.7267     1.2203     0.2083	C.2	1	noname	-0.0144
9	C7    -0.6699    -1.2716     0.3415	C.2	1	noname	0.0123
10	O3     1.4928     4.6963    -0.2737	O.2	1	noname	-0.2493
11	O4     3.4438     3.5851    -0.4510	O.3	1	noname	-0.2019
12	C8    -2.1420     1.2386     0.3720	C.2	1	noname	-0.0262
13	C9    -2.0825    -1.2418     0.5247	C.2	1	noname	0.0126
14	C10     4.1583     4.8016    -0.6123	C.3	1	noname	0.0539
15	C11    -2.8044    -0.0152     0.5409	C.2	1	noname	-0.0312
16	O5    -2.7514    -2.4032     0.6865	O.3	1	noname	-0.2844
17	C12     5.6487     4.4992    -0.7802	C.3	1	noname	-0.0409
18	H1    -0.5275     3.3763     0.0575	H	1	noname	0.0640
19	H2    -0.1235    -2.2144     0.3168	H	1	noname	0.0678
20	H3    -2.6971     2.1767     0.3682	H	1	noname	0.0630
21	H4     3.7938     5.2314    -1.5454	H	1	noname	0.0570
22	H5     4.0270     5.3425     0.3248	H	1	noname	0.0570
23	H6    -3.8846    -0.0366     0.6854	H	1	noname	0.0650
24	H7    -2.8558    -2.5845     1.6234	H	1	noname	0.2181
25	H8     6.1131     4.4049     0.2014	H	1	noname	0.0254
26	H9     5.7704     3.5664    -1.3308	H	1	noname	0.0254
27	H10     6.1244     5.3108    -1.3308	H	1	noname	0.0254
@<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	2
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	8	1
12	8	12	1
13	9	13	2
14	11	14	1
15	12	15	2
16	13	16	1
17	13	15	1
18	14	17	1
19	7	18	1
20	9	19	1
21	12	20	1
22	14	21	1
23	14	22	1
24	15	23	1
25	16	24	1
26	17	25	1
27	17	26	1
28	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1