@<TRIPOS>MOLECULE
73425401
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9355    -2.7997    -0.8685	S	1	noname	-0.0983
2	S2     2.0591    -1.1843     1.4034	S.2	1	noname	-0.1165
3	O1    -2.0905    -1.9253    -0.2132	O.2	1	noname	-0.1946
4	O2    -0.5644    -2.2039    -2.2952	O.2	1	noname	-0.1946
5	N1     0.4212    -2.7679     0.1218	N.3	1	noname	0.0913
6	N2    -2.7757    -8.3191    -1.4788	N.3	1	noname	-0.1510
7	N3    -0.0068    -0.5476    -0.0663	N.3	1	noname	-0.1248
8	C1    -1.4797    -4.4319    -1.0490	C.2	1	noname	-0.0163
9	C2    -2.1216    -4.8253    -2.2174	C.2	1	noname	0.0114
10	C3    -1.2751    -5.3499    -0.0255	C.2	1	noname	0.0114
11	C4    -2.3542    -7.0548    -1.3390	C.2	1	noname	-0.0035
12	C5    -2.5588    -6.1368    -2.3624	C.2	1	noname	-0.0446
13	C6    -1.7123    -6.6613    -0.1705	C.2	1	noname	-0.0446
14	C7     0.7223    -1.5261     0.4103	C.2	1	noname	-0.0342
15	H1    -2.2717    -4.1517    -2.9685	H	1	noname	0.0639
16	H2    -0.8041    -5.0612     0.8319	H	1	noname	0.0639
17	H3    -3.0298    -6.4255    -3.2199	H	1	noname	0.0639
18	H4    -1.5622    -7.3350     0.5805	H	1	noname	0.0639
19	H5    -2.5559    -8.8234    -0.6799	H	1	noname	0.1242
20	H6    -3.7365    -8.3267    -1.6118	H	1	noname	0.1242
21	H7     0.3498     0.3006     0.2408	H	1	noname	0.1261
22	H8    -0.9209    -0.6451     0.2431	H	1	noname	0.1261
23	H9     1.1674    -3.1829    -0.3386	H	1	noname	0.1525
@<TRIPOS>BOND
1	1	3	2
2	1	4	2
3	1	5	1
4	1	8	1
5	2	14	2
6	5	14	1
7	5	23	1
8	6	11	1
9	6	19	1
10	6	20	1
11	7	14	1
12	7	21	1
13	7	22	1
14	8	9	2
15	8	10	1
16	9	12	1
17	9	15	1
18	10	13	2
19	10	16	1
20	11	12	2
21	11	13	1
22	12	17	1
23	13	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1