@<TRIPOS>MOLECULE
57509249
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3998    -1.6723    -1.9947	S.3	1	noname	-0.0229
2	O1     0.1947     0.4625    -3.7719	O.3	1	noname	-0.1995
3	O2    -1.7873     0.7157    -1.0647	O.2	1	noname	-0.2734
4	O3     0.6573    -0.7581    -5.6073	O.2	1	noname	-0.2545
5	C1     0.2440     0.5961    -2.3591	C.3	1	noname	0.1330
6	C2     0.3344     2.0101    -2.0068	C.3	1	noname	-0.0299
7	C3    -1.0236    -0.0022    -1.7457	C.2	1	noname	0.1408
8	C4     0.7006    -0.6404    -4.3636	C.2	1	noname	0.1416
9	C5     1.2983    -1.6958    -3.5509	C.3	1	noname	0.0221
10	C6    -0.6616    -2.6560    -0.6804	C.3	1	noname	-0.0107
11	H1     1.1173     0.0693    -1.9745	H	1	noname	0.0699
12	H2     0.3722     2.1127    -0.9223	H	1	noname	0.0262
13	H3    -0.5389     2.5369    -2.3914	H	1	noname	0.0262
14	H4     1.2375     2.4364    -2.4438	H	1	noname	0.0262
15	H5     0.7550    -2.6275    -3.7085	H	1	noname	0.0336
16	H6     1.2453    -1.4179    -2.4983	H	1	noname	0.0336
17	H7     2.3409    -1.8300    -3.8392	H	1	noname	0.0336
18	H8    -0.8986    -3.7083    -0.8372	H	1	noname	0.0348
19	H9    -1.0592    -2.3336     0.2819	H	1	noname	0.0348
20	H10     0.4201    -2.5219    -0.6899	H	1	noname	0.0348
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	5	1
4	2	8	1
5	3	7	2
6	4	8	2
7	5	6	1
8	5	7	1
9	5	11	1
10	6	12	1
11	6	13	1
12	6	14	1
13	8	9	1
14	9	15	1
15	9	16	1
16	9	17	1
17	10	18	1
18	10	19	1
19	10	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1