@<TRIPOS>MOLECULE
DB02556
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4288    -2.8731     0.2816	O.2	1	noname	-0.2495
2	C1    -2.9658    -1.7288     0.0849	C.2	1	noname	0.1438
3	O2    -3.6418    -0.8505    -0.6858	O.3	1	noname	-0.2139
4	C2    -1.6939    -1.3422     0.6885	C.3	1	noname	0.0953
5	N1    -1.9004    -0.1899     1.5643	N.3	1	noname	-0.3191
6	C3    -0.6978    -0.9738    -0.4127	C.3	1	noname	-0.0030
7	C4     0.5741    -0.5871     0.1909	C.2	1	noname	-0.0541
8	C5     1.5501    -1.5474     0.4306	C.2	1	noname	-0.0567
9	C6     0.8091     0.7413     0.5260	C.2	1	noname	-0.0567
10	C7     2.7610    -1.1793     1.0053	C.2	1	noname	-0.0604
11	C8     2.0200     1.1094     1.1007	C.2	1	noname	-0.0604
12	C9     2.9959     0.1491     1.3404	C.2	1	noname	-0.0616
13	H1    -4.1172    -0.2328    -0.1254	H	1	noname	0.2213
14	H2    -1.3400    -2.1744     1.2970	H	1	noname	0.0575
15	H3    -1.1108     0.3625     1.8668	H	1	noname	0.1191
16	H4    -2.8327     0.0538     1.8668	H	1	noname	0.1191
17	H5    -0.4942    -1.8769    -0.9882	H	1	noname	0.0337
18	H6    -1.0753    -0.0821    -0.9133	H	1	noname	0.0337
19	H7     1.3659    -2.5891     0.1678	H	1	noname	0.0625
20	H8     0.0437     1.4943     0.3381	H	1	noname	0.0625
21	H9     3.5263    -1.9324     1.1932	H	1	noname	0.0622
22	H10     2.2042     2.1510     1.3635	H	1	noname	0.0622
23	H11     3.9455     0.4377     1.7911	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1