@<TRIPOS>MOLECULE
DB02446
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4939    -0.9060    -0.7116	O.2	1	noname	-0.2496
2	C1     3.4866    -1.0723     0.0097	C.2	1	noname	0.1437
3	O2     3.6267    -1.1945     1.3469	O.3	1	noname	-0.2140
4	C2     2.1587    -1.1342    -0.5938	C.3	1	noname	0.0917
5	N1     1.5456    -2.4264    -0.2911	N.3	1	noname	-0.3194
6	C3     1.2879    -0.0112    -0.0267	C.3	1	noname	-0.0200
7	C4    -0.1038    -0.0761    -0.6591	C.3	1	noname	0.0253
8	C5    -0.9347     0.9955    -0.1180	C.2	1	noname	0.0827
9	O3    -2.1170     1.1246    -0.5028	O.2	1	noname	-0.2825
10	N2    -0.4300     1.8405     0.7913	N.3	1	noname	0.0121
11	O4    -1.1699     2.7947     1.2732	O.3	1	noname	-0.3197
12	H1     3.6514    -2.1249     1.5823	H	1	noname	0.2213
13	H2     2.2731    -1.0553    -1.6749	H	1	noname	0.0571
14	H3     0.5435    -2.4979    -0.1866	H	1	noname	0.1191
15	H4     2.1240    -3.2477    -0.1866	H	1	noname	0.1191
16	H5     1.1605    -0.2179     1.0359	H	1	noname	0.0293
17	H6     1.7366     0.9283    -0.3492	H	1	noname	0.0293
18	H7     0.0073     0.1385    -1.7220	H	1	noname	0.0362
19	H8    -0.5687    -1.0078    -0.3369	H	1	noname	0.0362
20	H9     0.5220     1.7571     1.1182	H	1	noname	0.1640
21	H10    -1.1464     2.7644     2.2324	H	1	noname	0.2380
@<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	1
8	8	9	2
9	8	10	1
10	10	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	10	20	1
20	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1