@<TRIPOS>MOLECULE
71587967
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.4924    -0.5998     0.6959	S.3	1	noname	-0.1491
2	O1     0.6843     2.8959    -1.6368	O.3	1	noname	-0.2136
3	O2     1.2281     0.7117    -1.7146	O.2	1	noname	-0.2491
4	O3    -3.2229     3.2516    -0.3378	O.2	1	noname	-0.2736
5	O4     3.2502    -4.0000     1.7178	O.3	1	noname	-0.2161
6	O5     3.8483    -1.8563     1.3728	O.2	1	noname	-0.2523
7	O6    -1.3406     5.0883     0.2684	O.2	1	noname	-0.2726
8	N1    -1.6022     1.7004    -0.3295	N.3	1	noname	-0.0498
9	C1    -0.2725     1.3460    -0.0220	C.3	1	noname	0.1093
10	C2    -0.2050    -0.1475     0.3033	C.3	1	noname	0.0193
11	C3     0.5853     1.6338    -1.1678	C.2	1	noname	0.1444
12	C4     1.5719    -2.3569     1.0786	C.3	1	noname	0.0795
13	C5    -2.0441     2.9375    -0.0651	C.2	1	noname	0.0864
14	C6     2.9487    -2.7238     1.3971	C.2	1	noname	0.1400
15	C7    -1.1918     3.8714     0.5123	C.2	1	noname	0.1713
16	H1     0.0668     1.9212     0.8395	H	1	noname	0.0587
17	H2    -0.8454    -0.3623     1.1588	H	1	noname	0.0402
18	H3    -0.5443    -0.7227    -0.5581	H	1	noname	0.0402
19	H4    -2.1970     1.0487    -0.7325	H	1	noname	0.1323
20	H5     0.9315    -2.5717     1.9341	H	1	noname	0.0487
21	H6     1.2326    -2.9321     0.2172	H	1	noname	0.0487
22	H7     0.8618     3.0527    -2.5878	H	1	noname	0.2213
23	H8    -0.4449     3.5637     1.1351	H	1	noname	0.1146
24	H9     4.1370    -4.3613     1.5092	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	12	1
3	2	11	1
4	2	22	1
5	3	11	2
6	4	13	2
7	5	14	1
8	5	24	1
9	6	14	2
10	7	15	2
11	9	8	1
12	8	13	1
13	8	19	1
14	9	10	1
15	9	11	1
16	9	16	1
17	10	17	1
18	10	18	1
19	12	14	1
20	12	20	1
21	12	21	1
22	13	15	1
23	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1