@<TRIPOS>MOLECULE
DB01553
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.5491    -3.4335    -2.1332	Cl	1	noname	-0.0784
2	C1     2.6528    -3.0996    -0.4828	C.2	1	noname	0.0060
3	C2     1.9110    -2.0588     0.0636	C.2	1	noname	0.0003
4	C3     3.4799    -3.8652     0.3306	C.2	1	noname	-0.0232
5	C4     1.9964    -1.7836     1.4234	C.2	1	noname	-0.0321
6	C5     0.9769    -1.1941    -0.8549	C.3	1	noname	0.1773
7	C6     3.5653    -3.5901     1.6904	C.2	1	noname	-0.0504
8	C7     2.8236    -2.5493     2.2368	C.2	1	noname	-0.0538
9	O1     1.9338    -0.6474    -1.8028	O.3	1	noname	-0.3502
10	N1    -0.0249    -1.8908    -1.7416	N.3	1	noname	-0.2568
11	C8     0.2549    -0.1595    -0.0212	C.2	1	noname	0.0023
12	C9     1.4637    -0.8377    -3.1350	C.3	1	noname	0.0627
13	C10    -0.8339    -3.0294    -1.2345	C.3	1	noname	0.0759
14	C11     0.6412    -2.1093    -3.0267	C.3	1	noname	0.0257
15	C12    -0.8885    -0.4849     0.8284	C.2	1	noname	0.0012
16	C13     0.7527     1.1867    -0.0138	C.2	1	noname	-0.0003
17	C14    -1.9068    -2.5584    -0.2313	C.2	1	noname	0.1366
18	N2    -1.5165    -1.7064     0.8563	N.3	1	noname	-0.1323
19	C15    -1.4278     0.4887     1.7255	C.2	1	noname	-0.0210
20	C16     0.1900     2.1528     0.8537	C.2	1	noname	-0.0088
21	O2    -3.0981    -2.9131    -0.3633	O.2	1	noname	-0.2709
22	C17    -0.8762     1.7995     1.7266	C.2	1	noname	-0.0183
23	Cl2     0.7862     3.7310     0.8525	Cl	1	noname	-0.0847
24	H1     4.0616    -4.6814    -0.0979	H	1	noname	0.0638
25	H2     1.4147    -0.9674     1.8519	H	1	noname	0.0627
26	H3     4.2140    -4.1905     2.3283	H	1	noname	0.0623
27	H4     2.8905    -2.3335     3.3032	H	1	noname	0.0622
28	H5     0.8010    -0.0035    -3.3653	H	1	noname	0.0581
29	H6     2.3356    -1.0298    -3.7602	H	1	noname	0.0581
30	H7    -1.3609    -3.4255    -2.1025	H	1	noname	0.0528
31	H8    -0.1382    -3.6624    -0.6836	H	1	noname	0.0528
32	H9     1.3128    -2.9611    -2.9197	H	1	noname	0.0455
33	H10    -0.1199    -2.1100    -3.8070	H	1	noname	0.0455
34	H11     1.5684     1.4790    -0.6751	H	1	noname	0.0643
35	H12    -1.7168    -2.0179     1.7959	H	1	noname	0.1371
36	H13    -2.2471     0.2355     2.3984	H	1	noname	0.0640
37	H14    -1.2782     2.5477     2.4097	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	6	3	1
6	4	7	2
7	5	8	2
8	6	9	1
9	6	10	1
10	6	11	1
11	7	8	1
12	9	12	1
13	10	13	1
14	10	14	1
15	11	15	2
16	11	16	1
17	12	14	1
18	13	17	1
19	15	18	1
20	15	19	1
21	16	20	2
22	17	21	2
23	17	18	1
24	19	22	2
25	20	23	1
26	20	22	1
27	4	24	1
28	5	25	1
29	7	26	1
30	8	27	1
31	12	28	1
32	12	29	1
33	13	30	1
34	13	31	1
35	14	32	1
36	14	33	1
37	16	34	1
38	18	35	1
39	19	36	1
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1