@<TRIPOS>MOLECULE
57350395
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5355    -0.7485     1.1434	S.3	1	noname	-0.1614
2	O1     1.8518     2.4277     2.4586	O.2	1	noname	-0.3061
3	C1     0.2484    -0.9706    -0.3182	C.3	1	noname	-0.0409
4	C2     1.3122     0.0498     0.0916	C.3	1	noname	0.0111
5	C3    -0.7914    -0.2921    -1.2123	C.3	1	noname	-0.0525
6	C4    -1.8553    -1.3124    -1.6221	C.3	1	noname	-0.0561
7	C5     0.6505     1.1964     0.8586	C.3	1	noname	0.0149
8	C6    -2.8951    -0.6339    -2.5162	C.3	1	noname	-0.0654
9	C7     1.6657     2.1701     1.2497	C.2	1	noname	0.1237
10	C8     3.3140    -2.0974     0.2411	C.3	1	noname	-0.0181
11	H1    -0.2402    -1.3640     0.5732	H	1	noname	0.0278
12	H2     0.7198    -1.7875    -0.8647	H	1	noname	0.0278
13	H3     1.8008     0.4432    -0.7998	H	1	noname	0.0420
14	H4    -1.2629     0.5248    -0.6659	H	1	noname	0.0267
15	H5    -0.3029     0.1014    -2.1037	H	1	noname	0.0267
16	H6    -2.3439    -1.7059    -0.7307	H	1	noname	0.0264
17	H7    -1.3839    -2.1293    -2.1685	H	1	noname	0.0264
18	H8    -0.0903     1.6798     0.2217	H	1	noname	0.0354
19	H9     0.1619     0.8029     1.7500	H	1	noname	0.0354
20	H10    -3.6530    -1.3609    -2.8081	H	1	noname	0.0230
21	H11    -3.3665     0.1829    -1.9697	H	1	noname	0.0230
22	H12    -2.4065    -0.2405    -3.4076	H	1	noname	0.0230
23	H13     2.2231     2.6401     0.5364	H	1	noname	0.1041
24	H14     4.0548    -2.5808     0.8780	H	1	noname	0.0344
25	H15     2.5561    -2.8243    -0.0509	H	1	noname	0.0344
26	H16     3.8026    -1.7040    -0.6504	H	1	noname	0.0344
@<TRIPOS>BOND
1	1	4	1
2	1	10	1
3	2	9	2
4	3	4	1
5	3	5	1
6	3	11	1
7	3	12	1
8	4	7	1
9	4	13	1
10	5	6	1
11	5	14	1
12	5	15	1
13	6	8	1
14	6	16	1
15	6	17	1
16	7	9	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1