@<TRIPOS>MOLECULE
DB07331
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2349    -1.0966     0.7768	O.2	1	noname	-0.1448
2	N1    -0.9724    -0.6532    -0.2680	N.2	1	noname	-0.0156
3	O2    -1.6850    -0.9387    -1.2735	O.3	1	noname	-0.1448
4	C1     0.0567     0.1381    -0.4012	C.2	1	noname	0.0348
5	C2     1.1592    -0.0092     0.4324	C.2	1	noname	0.0280
6	C3     0.0504     1.1284    -1.3767	C.2	1	noname	0.0280
7	C4     2.2554     0.8336     0.2905	C.2	1	noname	-0.0264
8	C5     1.1465     1.9712    -1.5185	C.2	1	noname	-0.0264
9	C6     2.2490     1.8238    -0.6849	C.2	1	noname	-0.0166
10	C7     3.4004     2.7091    -0.8339	C.3	1	noname	0.0586
11	C8     3.2234     3.8846     0.0138	C.2	1	noname	0.1371
12	O3     4.0554     4.1388     0.9114	O.2	1	noname	-0.2544
13	O4     2.1612     4.6969    -0.1719	O.3	1	noname	-0.2177
14	H1     1.1641    -0.7857     1.1973	H	1	noname	0.0647
15	H2    -0.8142     1.2439    -2.0303	H	1	noname	0.0647
16	H3     3.1199     0.7180     0.9442	H	1	noname	0.0626
17	H4     1.1416     2.7477    -2.2834	H	1	noname	0.0626
18	H5     4.2646     2.1693    -0.4468	H	1	noname	0.0422
19	H6     3.3951     3.0614    -1.8654	H	1	noname	0.0422
20	H7     1.8106     4.9651     0.6806	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	10	18	1
19	10	19	1
20	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1