@<TRIPOS>MOLECULE
DB03065
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6038    -2.7621    -0.9395	O.2	1	noname	-0.1419
2	N1    -0.8786    -2.3286     0.1063	N.2	1	noname	-0.0014
3	O2    -1.2014    -3.1080     1.0490	O.3	1	noname	-0.1419
4	C1    -0.8535    -1.0392     0.3054	C.2	1	noname	0.0789
5	C2     0.0349    -0.1876    -0.4034	C.2	1	noname	0.0746
6	C3    -1.7190    -0.4035     1.2494	C.2	1	noname	0.0297
7	N2     0.9861    -0.4775    -1.2975	N.2	1	noname	-0.2467
8	C4     0.0114     1.2107    -0.2581	C.2	1	noname	0.0218
9	C5    -1.7107     1.0167     1.4323	C.2	1	noname	-0.0279
10	N3     1.4914     0.6373    -1.7385	N.3	1	noname	0.0370
11	C6    -0.8488     1.8583     0.6690	C.2	1	noname	-0.0104
12	C7     0.9301     1.7199    -1.1562	C.2	1	noname	-0.0225
13	C8     2.4363     0.7028    -2.6435	C.2	1	noname	-0.0948
14	N4     2.5294    -0.2041    -3.5349	N.2	1	noname	-0.2555
15	N5     3.2856     1.7002    -2.6327	N.3	1	noname	-0.1181
16	H1    -2.3996    -1.0145     1.8422	H	1	noname	0.0647
17	H2    -2.3754     1.4674     2.1692	H	1	noname	0.0623
18	H3    -0.8476     2.9418     0.7882	H	1	noname	0.0630
19	H4     1.1646     2.7640    -1.3634	H	1	noname	0.0821
20	H5     2.6219    -1.1058    -3.0893	H	1	noname	0.1902
21	H6     4.2790     1.5175    -2.6285	H	1	noname	0.1271
22	H7     2.9471     2.6517    -2.6285	H	1	noname	0.1271
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	8	12	2
12	9	11	2
13	10	13	1
14	10	12	1
15	13	14	2
16	13	15	1
17	6	16	1
18	9	17	1
19	11	18	1
20	12	19	1
21	14	20	1
22	15	21	1
23	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1