@<TRIPOS>MOLECULE
DB04598
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.8435    -1.4610     0.0000	Cl	1	noname	-0.0662
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0301
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	0.0271
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0374
5	O1     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2749
6	C4     2.0850     1.2038     0.0000	C.2	1	noname	0.0492
7	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0124
8	N1     3.4250     1.2038     0.0000	N.3	1	noname	-0.1307
9	C6     1.3900     2.4076     0.0000	C.2	1	noname	-0.0097
10	C7     2.0850     3.6113     0.0000	C.2	1	noname	0.0858
11	O2     1.4600     4.6939     0.0000	O.2	1	noname	-0.2584
12	O3     3.4350     3.6113     0.0000	O.3	1	noname	-0.2182
13	H1    -1.7850     1.2038     0.0000	H	1	noname	0.0639
14	H2     2.2250    -1.4463     0.9051	H	1	noname	0.2183
15	H3    -0.5450     3.3515     0.0000	H	1	noname	0.0632
16	H4     3.9300     0.3291     0.0000	H	1	noname	0.1243
17	H5     3.9300     2.0785     0.0000	H	1	noname	0.1243
18	H6     3.7550     3.6113     0.9051	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	1
8	6	9	2
9	7	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	4	13	1
14	5	14	1
15	7	15	1
16	8	16	1
17	8	17	1
18	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1