@<TRIPOS>MOLECULE
91865089
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6062    -0.7254    -0.5765	S	1	noname	-0.0478
2	O1    -0.8657    -2.3947    -0.6253	O.3	1	noname	-0.1486
3	O2    -1.9767     0.0149    -0.2576	O.2	1	noname	-0.1687
4	O3    -0.0532    -0.2337    -1.9838	O.2	1	noname	-0.1687
5	C1     0.5490    -0.3572     0.6575	C.2	1	noname	0.0133
6	C2     1.9048    -0.3246     0.3530	C.2	1	noname	0.0142
7	C3     1.0494     0.2018     2.9452	C.2	1	noname	-0.0427
8	C4     0.1213    -0.0940     1.9536	C.2	1	noname	0.0137
9	C5     2.8330    -0.0288     1.3445	C.2	1	noname	-0.0436
10	C6     2.4053     0.2344     2.6406	C.2	1	noname	-0.0304
11	C7     2.3540    -0.6011    -1.0084	C.3	1	noname	0.0148
12	C8     0.6002     0.4783     4.3066	C.3	1	noname	-0.0012
13	H1    -0.8736    -0.1180     2.1772	H	1	noname	0.0642
14	H2     3.8279    -0.0048     1.1210	H	1	noname	0.0626
15	H3     3.0863     0.4515     3.3682	H	1	noname	0.0625
16	H4     3.0184    -1.4652    -1.0034	H	1	noname	0.0280
17	H5     1.4909    -0.8101    -1.6404	H	1	noname	0.0280
18	H6     2.8882     0.2656    -1.3978	H	1	noname	0.0280
19	H7     0.0661    -0.3884     4.6960	H	1	noname	0.0279
20	H8    -0.0642     1.3424     4.3015	H	1	noname	0.0279
21	H9     1.4633     0.6873     4.9386	H	1	noname	0.0279
22	H10    -1.5652    -2.5975    -1.2810	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	5	1
5	2	22	1
6	5	6	2
7	5	8	1
8	6	9	1
9	6	11	1
10	7	8	2
11	7	10	1
12	7	12	1
13	8	13	1
14	9	10	2
15	9	14	1
16	10	15	1
17	11	16	1
18	11	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1