@<TRIPOS>MOLECULE
DB03847
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1623    -2.0364     0.8733	O.2	1	noname	-0.2496
2	C1     1.6169    -1.3971    -0.0521	C.2	1	noname	0.1437
3	O2     1.2766    -2.0254    -1.1974	O.3	1	noname	-0.2140
4	C2     1.3480     0.0292     0.1058	C.3	1	noname	0.0925
5	N1     2.0574     0.7767    -0.9313	N.3	1	noname	-0.3194
6	C3    -0.1556     0.2819    -0.0217	C.3	1	noname	-0.0066
7	C4    -0.4375     1.7766     0.1438	C.3	1	noname	0.1324
8	C5    -1.8723     2.0176     0.0221	C.2	1	noname	0.1415
9	C6     0.0200     2.2154     1.4590	C.2	1	noname	0.1415
10	O3    -2.3055     2.7710    -0.8764	O.2	1	noname	-0.2514
11	O4    -2.7311     1.4269     0.8800	O.3	1	noname	-0.2153
12	O5     0.8928     3.1053     1.5523	O.2	1	noname	-0.2514
13	O6    -0.4998     1.6601     2.5743	O.3	1	noname	-0.2153
14	H1     1.3159    -2.9754    -1.0651	H	1	noname	0.2213
15	H2     1.7334     0.3420     1.0762	H	1	noname	0.0572
16	H3     1.5805     1.0348    -1.7833	H	1	noname	0.1191
17	H4     3.0244     1.0348    -0.7957	H	1	noname	0.1191
18	H5    -0.4331     0.0205    -1.0428	H	1	noname	0.0301
19	H6    -0.6319    -0.2231     0.8187	H	1	noname	0.0301
20	H7     0.0731     2.3747    -0.6110	H	1	noname	0.0518
21	H8    -2.4608     1.6128     1.7822	H	1	noname	0.2213
22	H9    -0.4657     0.7035     2.5013	H	1	noname	0.2213
@<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	7	9	1
9	8	10	2
10	8	11	1
11	9	12	2
12	9	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	11	21	1
21	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1