@<TRIPOS>MOLECULE
71586874
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0708     0.4100    -0.5263	O.3	1	noname	-0.1468
2	O2     3.4333    -0.3883     0.7077	O.3	1	noname	-0.2555
3	O3     2.1635     0.6489     2.8835	O.2	1	noname	-0.2801
4	O4     1.5277    -0.1111    -2.9135	O.3	1	noname	-0.2062
5	O5    -2.3815     1.8464    -0.6513	O.3	1	noname	-0.2083
6	O6     2.8368    -1.4313    -1.6423	O.2	1	noname	-0.2413
7	O7    -2.6298     1.3061     1.5210	O.2	1	noname	-0.2445
8	C1     1.3875    -0.0425    -0.5456	C.2	1	noname	0.1296
9	C2     2.1520     0.0345     0.6632	C.2	1	noname	0.0980
10	C3    -0.5733     0.9393     0.5890	C.2	1	noname	0.1086
11	C4     1.5108     0.5744     1.8200	C.2	1	noname	0.1295
12	C5     0.1578     1.0330     1.8172	C.2	1	noname	0.1177
13	C6     1.9464    -0.5566    -1.7098	C.2	1	noname	0.1400
14	C7    -1.8938     1.3664     0.5124	C.2	1	noname	0.1279
15	H1    -0.2724     1.4138     2.6600	H	1	noname	0.0694
16	H2     3.7892    -0.2575     1.6114	H	1	noname	0.2184
17	H3     1.5516    -0.7063    -3.6917	H	1	noname	0.2217
18	H4    -3.3317     1.7390    -0.8658	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	9	1
4	2	16	1
5	3	11	2
6	4	13	1
7	4	17	1
8	5	14	1
9	5	18	1
10	6	13	2
11	7	14	2
12	8	9	2
13	8	13	1
14	9	11	1
15	10	12	2
16	10	14	1
17	11	12	1
18	12	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1