@<TRIPOS>MOLECULE
92135713
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6102    -0.7158    -0.5518	S	1	noname	-0.0455
2	O1     0.6719     0.2936     4.2574	O.3	1	noname	-0.2852
3	O2    -0.8824    -2.3805    -0.6558	O.3	1	noname	-0.1484
4	O3    -1.9729     0.0230    -0.1979	O.2	1	noname	-0.1684
5	O4    -0.0634    -0.1802    -1.9454	O.2	1	noname	-0.1684
6	C1     0.5562    -0.3984     0.6858	C.2	1	noname	0.0252
7	C2     1.9101    -0.3651     0.3728	C.2	1	noname	0.0117
8	C3     0.1395    -0.1767     1.9932	C.2	1	noname	0.0457
9	C4     2.8472    -0.1100     1.3672	C.2	1	noname	-0.0318
10	C5     1.0766     0.0783     2.9876	C.2	1	noname	0.0136
11	C6     2.3478    -0.5979    -1.0004	C.3	1	noname	0.0140
12	C7     2.4305     0.1117     2.6746	C.2	1	noname	0.0024
13	H1    -0.8540    -0.2012     2.2229	H	1	noname	0.0667
14	H2     3.8407    -0.0856     1.1375	H	1	noname	0.0626
15	H3     3.0058    -1.4664    -1.0297	H	1	noname	0.0280
16	H4     1.4788    -0.7790    -1.6330	H	1	noname	0.0280
17	H5     2.8856     0.2778    -1.3638	H	1	noname	0.0280
18	H6     3.1182     0.2988     3.4043	H	1	noname	0.0650
19	H7    -0.3053     0.2351     4.3031	H	1	noname	0.2181
20	H8    -1.5337    -2.5613    -1.3654	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	6	1
5	2	10	1
6	2	19	1
7	3	20	1
8	6	7	2
9	6	8	1
10	7	9	1
11	7	11	1
12	8	10	2
13	8	13	1
14	9	12	2
15	9	14	1
16	10	12	1
17	11	15	1
18	11	16	1
19	11	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1