@<TRIPOS>MOLECULE
DB02953
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.7757    -1.7847    -0.7528	S.3	1	noname	-0.1784
2	C1    -2.9171    -2.2526     0.7584	C.3	1	noname	0.0028
3	C2    -1.6100    -1.4648     0.8672	C.3	1	noname	0.0577
4	C3    -1.9046    -0.0351     0.8975	C.2	1	noname	0.1370
5	C4    -0.8802    -1.8624     2.1518	C.3	1	noname	-0.0149
6	O1    -1.4430     0.7170     0.0122	O.2	1	noname	-0.2544
7	O2    -2.6754     0.4745     1.8816	O.3	1	noname	-0.2177
8	C5     0.3670    -1.1107     2.2556	C.2	1	noname	-0.0546
9	C6     0.3852     0.1197     2.9021	C.2	1	noname	-0.0570
10	C7     1.5363    -1.6253     1.7079	C.2	1	noname	-0.0570
11	C8     1.5726     0.8355     3.0009	C.2	1	noname	-0.0605
12	C9     2.7238    -0.9095     1.8067	C.2	1	noname	-0.0605
13	C10     2.7419     0.3208     2.4532	C.2	1	noname	-0.0616
14	H1    -4.1453    -2.8721    -1.4035	H	1	noname	0.1022
15	H2    -3.4947    -1.9220     1.6216	H	1	noname	0.0386
16	H3    -2.5920    -3.2904     0.6852	H	1	noname	0.0386
17	H4    -0.9799    -1.6412    -0.0045	H	1	noname	0.0420
18	H5    -1.4949    -1.5409     2.9926	H	1	noname	0.0324
19	H6    -0.5921    -2.9093     2.0561	H	1	noname	0.0324
20	H7    -3.0689    -0.2428     2.3839	H	1	noname	0.2213
21	H8    -0.5318     0.5233     3.3316	H	1	noname	0.0625
22	H9     1.5221    -2.5901     1.2009	H	1	noname	0.0625
23	H10     1.5869     1.8003     3.5078	H	1	noname	0.0622
24	H11     3.6407    -1.3131     1.3772	H	1	noname	0.0622
25	H12     3.6731     0.8821     2.5307	H	1	noname	0.0622
@<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	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	2
13	12	13	1
14	1	14	1
15	2	15	1
16	2	16	1
17	3	17	1
18	5	18	1
19	5	19	1
20	7	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1