@<TRIPOS>MOLECULE
DB04620
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4624    -0.7752     1.6915	O.2	1	noname	-0.2484
2	C1    -0.5079    -0.0021     1.4595	C.2	1	noname	0.1453
3	O2     0.0459     0.7075     2.4657	O.3	1	noname	-0.2131
4	C2     0.0079     0.1336     0.1004	C.3	1	noname	0.1024
5	N1    -0.6919    -0.6554    -0.9121	N.3	1	noname	-0.3168
6	C3     1.4874    -0.2747     0.0715	C.3	1	noname	-0.0254
7	C4     0.0818     1.6144    -0.2711	C.3	1	noname	-0.0254
8	C5     1.9749     0.3874    -1.2171	C.3	1	noname	-0.0509
9	C6     1.2099     1.7145    -1.3055	C.3	1	noname	-0.0509
10	H1     0.4066     0.1056     3.1209	H	1	noname	0.2213
11	H2    -1.5880    -0.3476    -1.2618	H	1	noname	0.1194
12	H3    -0.2792    -1.5084    -1.2618	H	1	noname	0.1194
13	H4     1.9920     0.2010     0.9124	H	1	noname	0.0291
14	H5     1.5435    -1.3556    -0.0571	H	1	noname	0.0291
15	H6    -0.8509     1.8760    -0.7708	H	1	noname	0.0291
16	H7     0.3964     2.1621     0.6173	H	1	noname	0.0291
17	H8     3.0316     0.6217    -1.0877	H	1	noname	0.0267
18	H9     1.6532    -0.2370    -2.0505	H	1	noname	0.0267
19	H10     0.7484     1.7632    -2.2918	H	1	noname	0.0267
20	H11     1.8851     2.5059    -0.9801	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	7	9	1
9	8	9	1
10	3	10	1
11	5	11	1
12	5	12	1
13	6	13	1
14	6	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1