@<TRIPOS>MOLECULE
90479692
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9176     1.0895    -0.0757	O.2	1	noname	-0.2820
2	O2     1.8095     3.7274     0.1085	O.2	1	noname	-0.2887
3	O3     1.8203    -2.0940    -0.6089	O.3	1	noname	-0.2141
4	O4     3.3845    -1.0090     0.5946	O.2	1	noname	-0.2527
5	N1     0.1375     0.0772    -0.0304	N.3	1	noname	0.0516
6	N2    -0.0577     2.4272     0.0167	N.3	1	noname	0.0783
7	C1     1.5138     0.1742     0.0176	C.2	1	noname	0.0542
8	C2     2.1731     1.4409     0.0685	C.2	1	noname	0.0809
9	C3    -0.6727     1.1925    -0.0319	C.2	1	noname	0.0270
10	C4     1.3153     2.5800     0.0659	C.2	1	noname	0.0698
11	C5     2.2764    -0.9880     0.0165	C.2	1	noname	0.1042
12	H1    -0.2716    -0.8018    -0.0640	H	1	noname	0.1387
13	H2     3.1890     1.5247     0.1042	H	1	noname	0.0694
14	H3    -0.6131     3.2224     0.0163	H	1	noname	0.1417
15	H4     2.0742    -2.9820    -0.2814	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	9	2
2	2	10	2
3	3	11	1
4	3	15	1
5	4	11	2
6	5	7	1
7	5	9	1
8	5	12	1
9	6	9	1
10	6	10	1
11	6	14	1
12	7	8	2
13	7	11	1
14	8	10	1
15	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1