@<TRIPOS>MOLECULE
71587376
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.3373    -0.2709    -0.1137	S.3	1	noname	-0.1604
2	O1     0.1243    -0.4253     2.9138	O.2	1	noname	-0.3048
3	C1     2.3137    -0.9400     0.4899	C.3	1	noname	-0.0257
4	C2     2.9750    -0.7037     1.8496	C.3	1	noname	-0.0500
5	C3     1.1054    -0.2687     0.0338	C.2	1	noname	-0.0385
6	C4     2.1873    -2.4440     0.2388	C.3	1	noname	-0.0590
7	C5     3.3774     0.7674     1.9723	C.3	1	noname	-0.0648
8	C6     0.1188     0.3727     0.7325	C.2	1	noname	0.0227
9	C7    -0.9852     0.9646    -0.0089	C.3	1	noname	0.0211
10	C8     0.0178     0.5290     2.1075	C.2	1	noname	0.0923
11	C9    -3.7955     0.4337    -0.9649	C.3	1	noname	-0.0180
12	H1     3.0572    -0.6749    -0.2617	H	1	noname	0.0343
13	H2     2.2726    -0.9556     2.6441	H	1	noname	0.0269
14	H3     3.8619    -1.3314     1.9363	H	1	noname	0.0269
15	H4     1.0112    -0.3161    -0.9662	H	1	noname	0.0583
16	H5     1.7163    -2.6123    -0.7297	H	1	noname	0.0236
17	H6     1.5774    -2.8932     1.0225	H	1	noname	0.0236
18	H7     3.1783    -2.8978     0.2446	H	1	noname	0.0236
19	H8     3.8485     0.9357     2.9407	H	1	noname	0.0230
20	H9     2.4905     1.3951     1.8856	H	1	noname	0.0230
21	H10     4.0799     1.0193     1.1778	H	1	noname	0.0230
22	H11    -1.3423     1.8503     0.5165	H	1	noname	0.0431
23	H12    -0.7039     1.1934    -1.0369	H	1	noname	0.0431
24	H13    -0.1956     1.4576     2.5079	H	1	noname	0.1094
25	H14    -4.5844    -0.3167    -1.0154	H	1	noname	0.0344
26	H15    -4.1545     1.3018    -0.4121	H	1	noname	0.0344
27	H16    -3.5162     0.7357    -1.9743	H	1	noname	0.0344
@<TRIPOS>BOND
1	1	9	1
2	1	11	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	12	1
8	4	7	1
9	4	13	1
10	4	14	1
11	5	8	2
12	5	15	1
13	6	16	1
14	6	17	1
15	6	18	1
16	7	19	1
17	7	20	1
18	7	21	1
19	8	9	1
20	8	10	1
21	9	22	1
22	9	23	1
23	10	24	1
24	11	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1