@<TRIPOS>MOLECULE
DB04151
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.6152    -2.5472     0.2339	O.2	1	noname	-0.2495
2	C1    -2.8745    -1.8623    -0.5042	C.2	1	noname	0.1439
3	O2    -3.3937    -1.2188    -1.5714	O.3	1	noname	-0.2139
4	C2    -1.4477    -1.7584    -0.2122	C.3	1	noname	0.0969
5	N1    -0.6798    -2.2747    -1.3440	N.3	1	noname	-0.3191
6	C3    -1.0815    -0.2921     0.0262	C.3	1	noname	0.0158
7	C4     0.3452    -0.1881     0.3182	C.2	1	noname	0.0155
8	N2     0.9852    -0.7731     1.3400	N.2	1	noname	-0.2370
9	C5     1.2784     0.5346    -0.4141	C.2	1	noname	-0.0665
10	C6     2.2817    -0.4334     1.2595	C.2	1	noname	-0.0478
11	N3     2.4619     0.3621     0.1930	N.3	1	noname	-0.0451
12	C7     3.6886     0.9219    -0.2192	C.3	1	noname	-0.0630
13	H1    -3.7055    -1.8620    -2.2123	H	1	noname	0.2213
14	H2    -1.2331    -2.3791     0.6577	H	1	noname	0.0575
15	H3    -1.1383    -2.4531    -2.2261	H	1	noname	0.1192
16	H4     0.3093    -2.4531    -1.2439	H	1	noname	0.1192
17	H5    -1.2353     0.2423    -0.9113	H	1	noname	0.0354
18	H6    -1.5969     0.0332     0.9298	H	1	noname	0.0354
19	H7     1.1110     1.1331    -1.3096	H	1	noname	0.0811
20	H8     3.0630    -0.7523     1.9494	H	1	noname	0.1015
21	H9     4.2781     1.1908     0.6573	H	1	noname	0.0436
22	H10     4.2375     0.1941    -0.8168	H	1	noname	0.0436
23	H11     3.4986     1.8134    -0.8168	H	1	noname	0.0436
@<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	2
9	8	10	2
10	9	11	1
11	10	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	9	19	1
20	10	20	1
21	12	21	1
22	12	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1