@<TRIPOS>MOLECULE
71586820
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2533     4.6552    -0.1440	O.3	1	noname	-0.2177
2	O2     3.1332     3.5516     0.4221	O.2	1	noname	-0.2575
3	O3     3.9605     0.0116    -0.8057	O.3	1	noname	-0.2167
4	O4     3.9131     2.2426    -0.5010	O.2	1	noname	-0.2559
5	N1    -0.1134    -0.1174     0.1676	N.2	1	noname	-0.2158
6	C1     1.2360     2.3015     0.1574	C.2	1	noname	0.0640
7	C2     1.9536     1.1089    -0.1737	C.2	1	noname	0.0782
8	C3    -0.1546     2.2877     0.4937	C.2	1	noname	0.0423
9	C4     1.2323    -0.1323    -0.1614	C.2	1	noname	0.0641
10	C5    -0.8317     1.0219     0.4920	C.2	1	noname	0.0340
11	C6     1.9132     3.5154     0.1523	C.2	1	noname	0.0991
12	C7     3.3049     1.1506    -0.4967	C.2	1	noname	0.1052
13	H1    -0.6486     3.1491     0.7269	H	1	noname	0.0647
14	H2     1.7016    -1.0084    -0.3906	H	1	noname	0.0848
15	H3    -1.8230     0.9625     0.7251	H	1	noname	0.0839
16	H4     1.7270     5.3986    -0.5722	H	1	noname	0.2216
17	H5     4.9169    -0.0721    -0.6089	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	11	1
2	1	16	1
3	2	11	2
4	3	12	1
5	3	17	1
6	4	12	2
7	5	9	2
8	5	10	1
9	6	7	2
10	6	8	1
11	6	11	1
12	7	9	1
13	7	12	1
14	8	10	2
15	8	13	1
16	9	14	1
17	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1