@<TRIPOS>MOLECULE
91617723
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8725     3.4628    -1.5872	S	1	noname	-0.0458
2	S2    -0.7403    -3.5485     1.8544	S	1	noname	-0.0455
3	O1    -1.2272     4.5918    -0.3808	O.3	1	noname	-0.1480
4	O2    -0.0021     4.1564    -2.7228	O.2	1	noname	-0.1678
5	O3    -2.2266     2.9165    -2.2166	O.2	1	noname	-0.1678
6	O4    -2.3131    -3.1005     2.2808	O.3	1	noname	-0.1486
7	O5     0.0238    -4.0886     3.1399	O.2	1	noname	-0.1687
8	O6    -0.7956    -4.6922     0.7512	O.2	1	noname	-0.1687
9	N1    -1.9956     0.9988    -0.4310	N.3	1	noname	-0.1325
10	C1     0.0578    -0.0142     0.1589	C.2	1	noname	-0.0044
11	C2     1.4464     0.0320     0.1995	C.2	1	noname	0.0165
12	C3    -0.6569     1.0432    -0.3918	C.2	1	noname	0.0587
13	C4     0.0170     2.1468    -0.9018	C.2	1	noname	0.0125
14	C5    -0.6162    -1.1177     0.6689	C.2	1	noname	0.0404
15	C6     0.0985    -2.1751     1.2196	C.2	1	noname	0.0329
16	C7     2.1204     1.1355    -0.3105	C.2	1	noname	-0.0475
17	C8     2.1611    -1.0254     0.7502	C.2	1	noname	-0.0124
18	C9     1.4057     2.1929    -0.8612	C.2	1	noname	0.0236
19	C10     1.4872    -2.1289     1.2603	C.2	1	noname	0.0285
20	H1    -1.6352    -1.1515     0.6391	H	1	noname	0.0646
21	H2     3.1394     1.1693    -0.2807	H	1	noname	0.0629
22	H3     3.1801    -0.9916     0.7800	H	1	noname	0.0629
23	H4     1.9002     3.0027    -1.2355	H	1	noname	0.0640
24	H5     2.0116    -2.9049     1.6644	H	1	noname	0.0639
25	H6    -2.3507     1.8999    -0.3791	H	1	noname	0.1243
26	H7    -2.3239     0.4782     0.3188	H	1	noname	0.1243
27	H8    -0.3926     4.9569    -0.0194	H	1	noname	0.2388
28	H9    -2.8493    -3.9046     2.4424	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	13	1
5	2	6	1
6	2	7	2
7	2	8	2
8	2	15	1
9	3	27	1
10	6	28	1
11	9	12	1
12	9	25	1
13	9	26	1
14	10	11	2
15	10	12	1
16	10	14	1
17	11	16	1
18	11	17	1
19	12	13	2
20	13	18	1
21	14	15	2
22	14	20	1
23	15	19	1
24	16	18	2
25	16	21	1
26	17	19	2
27	17	22	1
28	18	23	1
29	19	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1