@<TRIPOS>MOLECULE
76967216
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.4460     1.9388    -0.2482	S.3	1	noname	-0.0283
2	O1     0.6021     0.6836     0.9156	O.3	1	noname	-0.3742
3	O2     5.8389     1.3965     0.5231	O.2	1	noname	-0.2838
4	C1     2.0660     0.9219    -0.8806	C.3	1	noname	0.0407
5	C2     0.7995     1.7746    -1.1694	C.3	1	noname	-0.0121
6	C3     1.5562    -0.0906     0.1713	C.3	1	noname	0.0675
7	C4    -0.1749     1.4543    -0.0117	C.3	1	noname	0.0564
8	C5     0.9354    -1.3494    -0.4991	C.3	1	noname	-0.0376
9	C6    -1.5084     0.6972    -0.3829	C.3	1	noname	-0.0386
10	C7     4.8188     0.8783     0.0331	C.2	1	noname	0.1283
11	C8     4.8817    -0.5525    -0.2902	C.3	1	noname	0.0049
12	H1     2.4051     0.4251    -1.7932	H	1	noname	0.0449
13	H2     0.3686     1.5110    -2.1363	H	1	noname	0.0305
14	H3     1.0418     2.8462    -1.2051	H	1	noname	0.0305
15	H4     2.3290    -0.4210     0.8641	H	1	noname	0.0612
16	H5    -0.4645     2.3911     0.4676	H	1	noname	0.0600
17	H6     1.6517    -2.0750    -0.8645	H	1	noname	0.0257
18	H7     0.4258    -1.0523    -1.4029	H	1	noname	0.0257
19	H8     0.2362    -1.8273     0.1891	H	1	noname	0.0257
20	H9    -2.0758     1.2673    -1.1011	H	1	noname	0.0257
21	H10    -2.0658     0.4659     0.5162	H	1	noname	0.0257
22	H11    -1.4181    -0.2539    -0.8522	H	1	noname	0.0257
23	H12     5.0595    -1.1235     0.6211	H	1	noname	0.0319
24	H13     3.9382    -0.8658    -0.7371	H	1	noname	0.0319
25	H14     5.6942    -0.7304    -0.9948	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