@<TRIPOS>MOLECULE
DB04175
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.4894    -0.8723    -0.0932	Cl	1	noname	-0.0756
2	C1    -0.8103    -0.9982     0.0097	C.2	1	noname	0.0195
3	C2     0.0241     0.1517    -0.0469	C.2	1	noname	0.0104
4	C3    -0.1631    -2.2704     0.1580	C.2	1	noname	0.0126
5	C4     1.4282     0.0595     0.0425	C.2	1	noname	-0.0414
6	C5    -0.3001     1.4846    -0.2457	C.2	1	noname	0.0278
7	C6     1.2689    -2.3683     0.2190	C.2	1	noname	0.0083
8	N1     1.9330     1.2959    -0.0744	N.3	1	noname	-0.0058
9	C7     2.0933    -1.1940     0.1572	C.2	1	noname	-0.0045
10	C8     0.9184     2.1656    -0.2586	C.2	1	noname	-0.0405
11	C9    -1.6340     2.0556    -0.4075	C.3	1	noname	-0.0157
12	Cl2     1.9928    -3.8851     0.3654	Cl	1	noname	-0.0803
13	C10     1.0645     3.5366    -0.4350	C.2	1	noname	0.0880
14	C11    -2.1914     2.4457     0.9630	C.3	1	noname	0.0376
15	O1     2.2045     4.0493    -0.4302	O.2	1	noname	-0.2531
16	O2    -0.0247     4.3143    -0.6116	O.3	1	noname	-0.2141
17	C12    -3.5254     3.0167     0.8012	C.2	1	noname	0.1349
18	O3    -4.5071     2.4788     1.3573	O.2	1	noname	-0.2558
19	O4    -3.6985     4.1256     0.0510	O.3	1	noname	-0.2188
20	H1    -0.7677    -3.1749     0.2252	H	1	noname	0.0654
21	H2     2.9138     1.5328    -0.0310	H	1	noname	0.1530
22	H3     3.1811    -1.2518     0.1958	H	1	noname	0.0658
23	H4    -1.5000     2.9725    -0.9815	H	1	noname	0.0322
24	H5    -2.2581     1.2529    -0.8004	H	1	noname	0.0322
25	H6    -2.3254     1.5288     1.5370	H	1	noname	0.0376
26	H7    -1.5674     3.2484     1.3558	H	1	noname	0.0376
27	H8    -0.3792     4.5675     0.2439	H	1	noname	0.2217
28	H9    -3.8171     4.8854     0.6257	H	1	noname	0.2213
@<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	5	8	1
8	5	9	2
9	6	10	2
10	6	11	1
11	7	12	1
12	7	9	1
13	8	10	1
14	10	13	1
15	11	14	1
16	13	15	2
17	13	16	1
18	14	17	1
19	17	18	2
20	17	19	1
21	4	20	1
22	8	21	1
23	9	22	1
24	11	23	1
25	11	24	1
26	14	25	1
27	14	26	1
28	16	27	1
29	19	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1