@<TRIPOS>MOLECULE
DB04313
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2803    -2.1058    -0.7258	O.2	1	noname	-0.2494
2	C1     1.6407    -1.4782     0.1458	C.2	1	noname	0.1441
3	O2     1.2178    -2.1123     1.2600	O.3	1	noname	-0.2138
4	C2     1.3511    -0.0595    -0.0412	C.3	1	noname	0.1032
5	N1     1.9488     0.7079     1.0503	N.3	1	noname	-0.3187
6	C3    -0.1637     0.1555    -0.0460	C.3	1	noname	0.0667
7	C4    -0.4533     1.5742    -0.2330	C.2	1	noname	0.1373
8	C5    -0.7892    -0.6476    -1.1882	C.3	1	noname	-0.0511
9	O3    -1.0928     2.2017     0.6386	O.2	1	noname	-0.2542
10	O4    -0.0303     2.2083    -1.3472	O.3	1	noname	-0.2175
11	H1     1.2684    -3.0617     1.1267	H	1	noname	0.2213
12	H2     1.8116     0.2607    -0.9758	H	1	noname	0.0580
13	H3     2.9225     0.9729     1.0072	H	1	noname	0.1192
14	H4     1.3881     0.9729     1.8474	H	1	noname	0.1192
15	H5    -0.5971    -0.1341     0.9113	H	1	noname	0.0427
16	H6    -0.6786    -1.7130    -0.9864	H	1	noname	0.0239
17	H7    -1.8479    -0.4009    -1.2686	H	1	noname	0.0239
18	H8    -0.2866    -0.4009    -2.1235	H	1	noname	0.0239
19	H9     0.2208     1.5596    -2.0088	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	6	8	1
8	7	9	2
9	7	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	8	16	1
16	8	17	1
17	8	18	1
18	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1