@<TRIPOS>MOLECULE
DB04031
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	V1     2.7351    -1.2180     1.0658	V	1	noname	-0.1617
2	O1     1.3976     0.4441     0.7997	O.3	1	noname	-0.6214
3	O2     4.0726    -2.8802     1.3319	O.3	1	noname	-0.6258
4	O3     4.0486     0.0251     2.2284	O.3	1	noname	-0.6012
5	O4     2.9899    -1.3541    -1.0647	O.3	1	noname	-0.6012
6	O5     1.1667    -2.3251     2.0337	O.3	1	noname	-0.6012
7	C1     0.2851     0.0359     0.0171	C.3	1	noname	0.0518
8	C2    -0.6667     1.2188    -0.1722	C.3	1	noname	0.0976
9	N1    -1.8120     0.7985    -0.9779	N.3	1	noname	-0.3193
10	C3     0.0347     2.3038    -0.8522	C.2	1	noname	0.1437
11	O6     0.1524     3.4171    -0.2961	O.2	1	noname	-0.2496
12	O7     0.5562     2.1047    -2.0814	O.3	1	noname	-0.2140
13	H1     4.2014    -3.0403     2.2696	H	1	noname	0.1147
14	H2     0.6960    -0.2263    -0.9578	H	1	noname	0.0353
15	H3    -0.2283    -0.7186     0.6130	H	1	noname	0.0353
16	H4    -1.0394     1.5989     0.7789	H	1	noname	0.0572
17	H5    -2.5089     1.4745    -1.2562	H	1	noname	0.1191
18	H6    -1.9063    -0.1678    -1.2562	H	1	noname	0.1191
19	H7     0.6276     1.1624    -2.2499	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	1	6	1
6	2	7	1
7	7	8	1
8	8	9	1
9	8	10	1
10	10	11	2
11	10	12	1
12	3	13	1
13	7	14	1
14	7	15	1
15	8	16	1
16	9	17	1
17	9	18	1
18	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1