@<TRIPOS>MOLECULE
DB04948
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.1515    -1.3091     0.9729	Cl	1	noname	-0.0688
2	C1     0.3272    -0.0341    -0.0227	C.2	1	noname	0.0230
3	C2     1.4824    -0.1792    -0.8907	C.2	1	noname	0.0592
4	C3    -0.3983     1.1891    -0.0169	C.2	1	noname	-0.0196
5	O1     2.2554    -1.3019    -0.7628	O.3	1	noname	-0.2519
6	C4     1.8679     0.8567    -1.8120	C.2	1	noname	0.0230
7	C5     0.0120     2.2028    -0.9343	C.2	1	noname	-0.0544
8	C6     3.3212    -1.1530     0.2259	C.3	1	noname	0.1134
9	Cl2     3.1892     0.6439    -2.8390	Cl	1	noname	-0.0688
10	C7     1.1129     2.0669    -1.8417	C.2	1	noname	-0.0196
11	C8     4.1295    -2.3152     0.2042	C.2	1	noname	-0.0599
12	C9     2.9373    -0.8791     1.7109	C.3	1	noname	-0.0313
13	N1     5.3562    -2.2734    -0.0995	N.2	1	noname	-0.2581
14	N2     3.7304    -3.5233     0.5182	N.3	1	noname	-0.1225
15	C10     5.9452    -3.5002     0.0037	C.3	1	noname	0.0535
16	C11     4.8066    -4.4129     0.4582	C.3	1	noname	0.0209
17	H1    -1.2356     1.3436     0.6637	H	1	noname	0.0639
18	H2    -0.5493     3.1371    -0.9425	H	1	noname	0.0623
19	H3     3.8553    -0.2890    -0.1696	H	1	noname	0.0684
20	H4     1.3699     2.8652    -2.5379	H	1	noname	0.0639
21	H5     2.8026    -1.8269     2.2321	H	1	noname	0.0261
22	H6     3.7321    -0.3094     2.1925	H	1	noname	0.0261
23	H7     2.0087    -0.3094     1.7470	H	1	noname	0.0261
24	H8     2.7721    -3.7302     0.7610	H	1	noname	0.1294
25	H9     6.2551    -3.7753    -1.0045	H	1	noname	0.0528
26	H10     6.6869    -3.4163     0.7980	H	1	noname	0.0528
27	H11     4.9954    -4.7549     1.4758	H	1	noname	0.0451
28	H12     4.5808    -5.1350    -0.3264	H	1	noname	0.0451
@<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	8	5	1
8	6	9	1
9	6	10	2
10	7	10	1
11	8	11	1
12	8	12	1
13	11	13	2
14	11	14	1
15	13	15	1
16	14	16	1
17	15	16	1
18	4	17	1
19	7	18	1
20	8	19	1
21	10	20	1
22	12	21	1
23	12	22	1
24	12	23	1
25	14	24	1
26	15	25	1
27	15	26	1
28	16	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1