@<TRIPOS>MOLECULE
71587586
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.7325     4.3367    -2.1720	S.3	1	noname	-0.1833
2	O1     3.5571    -0.3113    -1.1290	O.2	1	noname	-0.2790
3	O2     5.8448     0.3515    -5.4341	O.3	1	noname	-0.2148
4	O3     4.4643     0.9612     0.7160	O.3	1	noname	-0.2033
5	O4     5.0302     2.1881    -4.4163	O.2	1	noname	-0.2506
6	N1     3.3070     0.9810    -2.9457	N.3	1	noname	-0.0568
7	N2     2.6536     4.1862    -0.7349	N.2	1	noname	-0.2161
8	N3     3.7312     1.9233     0.3457	N.2	1	noname	-0.1676
9	N4     1.9313     6.5154    -0.8282	N.3	1	noname	-0.0904
10	C1     2.3768     2.9248    -1.1944	C.2	1	noname	0.0598
11	C2     3.1649     1.8904    -0.7962	C.2	1	noname	0.1139
12	C3     3.3489     0.8210    -1.6160	C.2	1	noname	0.0691
13	C4     4.0702     0.1401    -3.7814	C.3	1	noname	0.0891
14	C5     1.3005     2.6669    -2.0668	C.2	1	noname	0.0499
15	C6     1.8684     5.2120    -1.1326	C.2	1	noname	0.0986
16	C7     5.0059     0.9466    -4.5596	C.2	1	noname	0.1423
17	H1     3.4068    -0.3999    -4.4570	H	1	noname	0.0541
18	H2     4.6251    -0.5723    -3.1708	H	1	noname	0.0541
19	H3     2.7517     1.6755    -3.3334	H	1	noname	0.1320
20	H4     0.9625     1.8048    -2.4944	H	1	noname	0.0764
21	H5     1.2158     6.9882    -1.2814	H	1	noname	0.1266
22	H6     1.8370     6.6285     0.1306	H	1	noname	0.1266
23	H7     6.7199     0.7503    -5.6224	H	1	noname	0.2213
24	H8     4.8183     1.1460     1.6110	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	14	1
2	1	15	1
3	2	12	2
4	3	16	1
5	3	23	1
6	4	8	1
7	4	24	1
8	5	16	2
9	6	12	1
10	6	13	1
11	6	19	1
12	7	10	1
13	7	15	2
14	8	11	2
15	9	15	1
16	9	21	1
17	9	22	1
18	10	11	1
19	10	14	2
20	11	12	1
21	13	16	1
22	13	17	1
23	13	18	1
24	14	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1