@<TRIPOS>MOLECULE
DB03588
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3153    -3.1285     1.2120	O.2	1	noname	-0.2516
2	C1    -0.5303    -2.4813     0.1645	C.2	1	noname	0.1410
3	O2    -0.5623    -3.1161    -1.0266	O.3	1	noname	-0.2155
4	C2    -0.7467    -1.0389     0.2290	C.3	1	noname	0.0949
5	C3     0.2745    -0.3577    -0.5613	C.2	1	noname	-0.0475
6	C4    -2.0679    -0.7207    -0.3048	C.2	1	noname	-0.0475
7	C5     0.6935     0.9185    -0.2038	C.2	1	noname	-0.0524
8	C6     0.8278    -0.9853    -1.6713	C.2	1	noname	-0.0524
9	C7    -3.2047    -1.2577     0.2878	C.2	1	noname	-0.0524
10	C8    -2.1888     0.1193    -1.4057	C.2	1	noname	-0.0524
11	C9     1.6658     1.5671    -0.9562	C.2	1	noname	-0.0593
12	C10     1.8001    -0.3368    -2.4237	C.2	1	noname	-0.0593
13	C11    -4.4625    -0.9547    -0.2204	C.2	1	noname	-0.0593
14	C12    -3.4466     0.4223    -1.9139	C.2	1	noname	-0.0593
15	C13     2.2191     0.9394    -2.0662	C.2	1	noname	-0.0613
16	C14    -4.5834    -0.1147    -1.3212	C.2	1	noname	-0.0613
17	H1    -0.5585    -4.0653    -0.8835	H	1	noname	0.2213
18	H2    -0.6844    -0.7082     1.2658	H	1	noname	0.0509
19	H3     0.2596     1.4107     0.6666	H	1	noname	0.0625
20	H4     0.4993    -1.9861    -1.9516	H	1	noname	0.0625
21	H5    -3.1099    -1.9164     1.1511	H	1	noname	0.0625
22	H6    -1.2973     0.5404    -1.8704	H	1	noname	0.0625
23	H7     1.9943     2.5679    -0.6759	H	1	noname	0.0622
24	H8     2.2340    -0.8290    -3.2941	H	1	noname	0.0622
25	H9    -5.3540    -1.3758     0.2444	H	1	noname	0.0622
26	H10    -3.5414     1.0810    -2.7771	H	1	noname	0.0622
27	H11     2.9815     1.4480    -2.6562	H	1	noname	0.0622
28	H12    -5.5698     0.1229    -1.7198	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	14	16	1
18	3	17	1
19	4	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1