@<TRIPOS>MOLECULE
76962579
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.9501     1.8587    -0.0682	S.3	1	noname	-0.0283
2	O1     0.3687    -0.2983    -2.1439	O.3	1	noname	-0.3742
3	O2     5.3351     1.3338     0.8124	O.2	1	noname	-0.2838
4	C1     1.4376     0.8984    -0.4308	C.3	1	noname	0.0407
5	C2     0.3675     1.8214    -1.0786	C.3	1	noname	-0.0121
6	C3     1.6436    -0.2292    -1.5012	C.3	1	noname	0.0675
7	C4    -0.0601     1.0528    -2.3438	C.3	1	noname	0.0564
8	C5     2.0549    -1.6442    -1.0711	C.3	1	noname	-0.0376
9	C6     0.5826     1.6052    -3.6451	C.3	1	noname	-0.0386
10	C7     4.1590     0.9006     0.7820	C.2	1	noname	0.1283
11	C8     3.9017    -0.3181     1.5524	C.3	1	noname	0.0049
12	H1     1.0093     0.5103     0.4974	H	1	noname	0.0449
13	H2    -0.4846     1.9785    -0.4061	H	1	noname	0.0305
14	H3     0.7485     2.8170    -1.3480	H	1	noname	0.0305
15	H4     2.4005     0.1094    -2.2096	H	1	noname	0.0612
16	H5    -1.1497     1.0571    -2.4450	H	1	noname	0.0600
17	H6     3.1444    -1.6479    -0.8800	H	1	noname	0.0257
18	H7     1.5100    -1.9257    -0.1513	H	1	noname	0.0257
19	H8     1.8439    -2.3744    -1.8504	H	1	noname	0.0257
20	H9     0.1983     2.6086    -3.8271	H	1	noname	0.0257
21	H10     0.3215     0.9488    -4.4758	H	1	noname	0.0257
22	H11     1.6746     1.6566    -3.5695	H	1	noname	0.0257
23	H12     2.8728    -0.6202     1.5200	H	1	noname	0.0319
24	H13     4.2024    -0.1632     2.5886	H	1	noname	0.0319
25	H14     4.5627    -1.1044     1.1878	H	1	noname	0.0319
@<TRIPOS>BOND
1	4	1	1
2	1	10	1
3	2	6	1
4	2	7	1
5	3	10	2
6	4	5	1
7	4	6	1
8	4	12	1
9	5	7	1
10	5	13	1
11	5	14	1
12	6	8	1
13	6	15	1
14	7	9	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
22	10	11	1
23	11	23	1
24	11	24	1
25	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1