@<TRIPOS>MOLECULE
DB04228
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8376    -1.3661     1.8085	O.2	1	noname	-0.2480
2	C1    -1.7608    -1.1309     0.5832	C.2	1	noname	0.1460
3	O2    -2.8840    -0.9169    -0.1346	O.3	1	noname	-0.2127
4	C2    -0.4566    -1.0875    -0.0715	C.3	1	noname	0.1170
5	N1    -0.4041    -2.1040    -1.1209	N.3	1	noname	-0.3157
6	C3    -0.2520     0.2322    -0.6616	C.2	1	noname	-0.0252
7	C4    -0.6568     0.4796    -1.9682	C.2	1	noname	-0.0329
8	C5     0.3477     1.2411     0.0831	C.2	1	noname	-0.0329
9	C6    -0.4619     1.7360    -2.5300	C.2	1	noname	0.0099
10	C7     0.5425     2.4975    -0.4787	C.2	1	noname	0.0099
11	O3    -0.8551     1.9763    -3.7989	O.3	1	noname	-0.2841
12	C8     0.1377     2.7450    -1.7853	C.2	1	noname	-0.0046
13	O4     1.1249     3.4774     0.2445	O.3	1	noname	-0.2841
14	H1    -3.6230    -0.7761     0.4617	H	1	noname	0.2213
15	H2     0.3247    -1.2813     0.6634	H	1	noname	0.0623
16	H3    -1.2595    -2.4552    -1.5271	H	1	noname	0.1195
17	H4     0.4877    -2.4552    -1.4397	H	1	noname	0.1195
18	H5    -1.1270    -0.3116    -2.5521	H	1	noname	0.0653
19	H6     0.6651     1.0471     1.1076	H	1	noname	0.0653
20	H7    -0.9960     1.1427    -4.2536	H	1	noname	0.2181
21	H8     0.2905     3.7302    -2.2258	H	1	noname	0.0677
22	H9     1.0152     3.2928     1.1802	H	1	noname	0.2181
@<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	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	1
11	9	12	2
12	10	13	1
13	10	12	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	7	18	1
19	8	19	1
20	11	20	1
21	12	21	1
22	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1