@<TRIPOS>MOLECULE
DB02996
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6945    -1.4403     1.5335	S.3	1	noname	-0.1784
2	C1     1.9230    -1.6499    -0.2396	C.3	1	noname	0.0025
3	C2     1.2797    -0.4751    -0.9791	C.3	1	noname	0.0539
4	C3     1.9077     0.7717    -0.5516	C.2	1	noname	0.1368
5	C4     1.4739    -0.6533    -2.4863	C.3	1	noname	-0.0379
6	O1     1.2187     1.6671    -0.0166	O.2	1	noname	-0.2545
7	O2     3.2323     0.9575    -0.7339	O.3	1	noname	-0.2178
8	C5     0.8306     0.5216    -3.2258	C.3	1	noname	-0.0463
9	C6     1.0248     0.3434    -4.7329	C.3	1	noname	-0.0627
10	C7    -0.6649     0.5680    -2.9062	C.3	1	noname	-0.0627
11	H1     1.6202    -2.6251     2.1106	H	1	noname	0.1022
12	H2     2.9822    -1.5637    -0.4822	H	1	noname	0.0385
13	H3     1.3549    -2.5159    -0.5793	H	1	noname	0.0385
14	H4     0.2206    -0.3983    -0.7334	H	1	noname	0.0417
15	H5     2.5459    -0.5945    -2.6745	H	1	noname	0.0277
16	H6     0.9186    -1.5467    -2.7716	H	1	noname	0.0277
17	H7     3.6674     1.0185     0.1197	H	1	noname	0.2213
18	H8     1.2994     1.4524    -2.9066	H	1	noname	0.0297
19	H9     1.0557    -0.7196    -4.9721	H	1	noname	0.0233
20	H10     0.1959     0.8114    -5.2639	H	1	noname	0.0233
21	H11     1.9613     0.8114    -5.0364	H	1	noname	0.0233
22	H12    -0.8055     0.5723    -1.8254	H	1	noname	0.0233
23	H13    -1.0997     1.4719    -3.3329	H	1	noname	0.0233
24	H14    -1.1549    -0.3072    -3.3329	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	1
2	3	2	1
3	3	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	8	9	1
9	8	10	1
10	1	11	1
11	2	12	1
12	2	13	1
13	3	14	1
14	5	15	1
15	5	16	1
16	7	17	1
17	8	18	1
18	9	19	1
19	9	20	1
20	9	21	1
21	10	22	1
22	10	23	1
23	10	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1