@<TRIPOS>MOLECULE
DB04559
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.7136    -1.5053    -0.2475	Cl	1	noname	-0.0904
2	C1     0.0166     0.0041    -0.0616	C.2	1	noname	-0.0347
3	C2     1.3812     0.1480    -0.2836	C.2	1	noname	-0.0267
4	C3    -0.7463     1.1038     0.3135	C.2	1	noname	-0.0267
5	C4     1.9829     1.3916    -0.1304	C.2	1	noname	-0.0454
6	C5    -0.1446     2.3474     0.4667	C.2	1	noname	-0.0454
7	C6     1.2200     2.4914     0.2447	C.2	1	noname	-0.0247
8	N1     1.8000     3.6902     0.3923	N.3	1	noname	-0.0054
9	C7     1.7690     4.3338    -0.7483	C.2	1	noname	-0.0787
10	N2     2.2701     5.5030    -0.8344	N.2	1	noname	-0.2562
11	N3     1.2231     3.7760    -1.8004	N.3	1	noname	-0.0247
12	O1     1.8104     4.2112    -2.8754	O.3	1	noname	-0.3249
13	H1     1.9795    -0.7143    -0.5778	H	1	noname	0.0638
14	H2    -1.8164     0.9909     0.4876	H	1	noname	0.0638
15	H3     3.0530     1.5045    -0.3045	H	1	noname	0.0639
16	H4    -0.7429     3.2098     0.7608	H	1	noname	0.0639
17	H5     2.2034     4.0568     1.2427	H	1	noname	0.1368
18	H6     2.4278     5.8709     0.0929	H	1	noname	0.1899
19	H7     0.4636     3.1104    -1.7851	H	1	noname	0.1637
20	H8     2.1003     3.4655    -3.4060	H	1	noname	0.2380
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	8	17	1
18	10	18	1
19	11	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1