@<TRIPOS>MOLECULE
DB04388
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1727    -2.0855     0.9385	O.2	1	noname	-0.2496
2	C1     1.6541    -1.4985    -0.0356	C.2	1	noname	0.1437
3	O2     1.3259    -2.1932    -1.1457	O.3	1	noname	-0.2140
4	C2     1.4032    -0.0616     0.0271	C.3	1	noname	0.0916
5	N1     2.1427     0.6093    -1.0409	N.3	1	noname	-0.3194
6	C3    -0.0939     0.2028    -0.1453	C.3	1	noname	-0.0217
7	C4    -0.3568     1.7086    -0.0796	C.3	1	noname	0.0050
8	C5    -1.7560     1.9557    -0.2408	C.2	1	noname	0.1231
9	O3    -2.1800     3.0994    -0.2193	O.2	1	noname	-0.3065
10	H1     1.3802    -3.1339    -0.9622	H	1	noname	0.2213
11	H2     1.7750     0.3066     0.9833	H	1	noname	0.0571
12	H3     1.6790     0.8410    -1.9077	H	1	noname	0.1191
13	H4     3.1172     0.8410    -0.9118	H	1	noname	0.1191
14	H5    -0.3562    -0.1187    -1.1533	H	1	noname	0.0292
15	H6    -0.5931    -0.2417     0.7157	H	1	noname	0.0292
16	H7    -0.1133     2.0481     0.9272	H	1	noname	0.0344
17	H8     0.1237     2.1710    -0.9418	H	1	noname	0.0344
18	H9    -2.5509     1.2248    -0.3896	H	1	noname	0.1041
@<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	3	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1