@<TRIPOS>MOLECULE
DB01664
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6900     1.3223    -1.3800	O.2	1	noname	-0.2813
2	C1     0.8415     1.8943    -0.2790	C.2	1	noname	0.0719
3	N1     2.0102     2.2939     0.2395	N.3	1	noname	0.0336
4	C2    -0.1703     2.2203     0.6074	C.2	1	noname	0.0827
5	O2     1.7746     2.8470     1.3943	O.3	1	noname	-0.2393
6	C3     0.4585     2.8335     1.6779	C.2	1	noname	0.0290
7	C4    -1.5998     1.9701     0.4473	C.3	1	noname	0.0041
8	C5    -2.2512     3.1641    -0.2534	C.3	1	noname	0.0956
9	N2    -3.6826     2.9137    -0.4136	N.3	1	noname	-0.3191
10	C6    -1.6399     3.3510    -1.5660	C.2	1	noname	0.1439
11	O3    -1.0633     4.4258    -1.8396	O.2	1	noname	-0.2495
12	O4    -1.6973     2.3630    -2.4841	O.3	1	noname	-0.2139
13	H1     2.9256     2.1937    -0.1754	H	1	noname	0.1652
14	H2    -0.0004     3.2339     2.5818	H	1	noname	0.0922
15	H3    -1.6811     1.1122    -0.2202	H	1	noname	0.0340
16	H4    -2.0096     1.9167     1.4560	H	1	noname	0.0340
17	H5    -2.1274     4.0870     0.3133	H	1	noname	0.0575
18	H6    -4.3278     3.6887    -0.4690	H	1	noname	0.1191
19	H7    -4.0263     1.9656    -0.4690	H	1	noname	0.1191
20	H8    -1.7466     1.5142    -2.0382	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	6	1
8	7	8	1
9	8	9	1
10	8	10	1
11	10	11	2
12	10	12	1
13	3	13	1
14	6	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1