@<TRIPOS>MOLECULE
DB01110
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.2640    -3.3154     0.3134	Cl	1	noname	-0.0782
2	C1     0.7176    -1.8312    -0.2737	C.2	1	noname	0.0103
3	C2     1.3905    -0.6269     0.1147	C.2	1	noname	-0.0052
4	C3    -0.4097    -1.7927    -1.1513	C.2	1	noname	0.0089
5	C4     0.9226     0.6395    -0.3689	C.2	1	noname	-0.0279
6	C5     2.5500    -0.8025     1.0227	C.3	1	noname	0.1005
7	C6    -0.8569    -0.5087    -1.6139	C.2	1	noname	-0.0019
8	C7    -0.2107     0.7127    -1.2330	C.2	1	noname	-0.0213
9	O1     3.7527    -1.0025     0.2991	O.3	1	noname	-0.3669
10	C8     2.8459     0.3600     1.9964	C.3	1	noname	-0.0374
11	Cl2    -2.1916    -0.4353    -2.6430	Cl	1	noname	-0.0826
12	C9     3.6329    -2.1662    -0.5057	C.3	1	noname	0.0741
13	N1     3.5752     0.1144     3.1988	N.3	1	noname	-0.0438
14	C10     4.8715    -2.3722    -1.2508	C.2	1	noname	-0.0070
15	C11     3.8905     1.1655     3.9640	C.2	1	noname	-0.0483
16	C12     3.9880    -1.0416     3.7683	C.2	1	noname	-0.0710
17	C13     4.8526    -2.3842    -2.6407	C.2	1	noname	0.0091
18	C14     6.0695    -2.5564    -0.5704	C.2	1	noname	-0.0292
19	N2     4.5362     0.6854     5.0407	N.2	1	noname	-0.2421
20	C15     4.6147    -0.6586     4.9589	C.2	1	noname	0.0082
21	Cl3     3.3987    -2.1606    -3.4665	Cl	1	noname	-0.0786
22	C16     6.0318    -2.5803    -3.3501	C.2	1	noname	0.0086
23	C17     7.2486    -2.7526    -1.2798	C.2	1	noname	-0.0215
24	C18     7.2298    -2.7645    -2.6696	C.2	1	noname	-0.0019
25	Cl4     8.6609    -3.0025    -3.5306	Cl	1	noname	-0.0826
26	H1    -0.9111    -2.7109    -1.4573	H	1	noname	0.0653
27	H2     1.4339     1.5567    -0.0765	H	1	noname	0.0627
28	H3     2.2776    -1.7161     1.5511	H	1	noname	0.0672
29	H4    -0.5730     1.6757    -1.5926	H	1	noname	0.0638
30	H5     3.4960     1.0496     1.4580	H	1	noname	0.0503
31	H6     1.8790     0.6997     2.3674	H	1	noname	0.0503
32	H7     3.5265    -3.0046     0.1827	H	1	noname	0.0618
33	H8     2.8491    -1.9556    -1.2333	H	1	noname	0.0618
34	H9     3.6651     2.2105     3.7514	H	1	noname	0.1015
35	H10     3.8488    -2.0440     3.3636	H	1	noname	0.0808
36	H11     6.0842    -2.5471     0.5194	H	1	noname	0.0627
37	H12     5.0867    -1.3020     5.7014	H	1	noname	0.0853
38	H13     6.0170    -2.5897    -4.4399	H	1	noname	0.0653
39	H14     8.1881    -2.8970    -0.7462	H	1	noname	0.0638
@<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	2
8	6	9	1
9	6	10	1
10	7	11	1
11	7	8	1
12	9	12	1
13	10	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	2
18	14	18	1
19	15	19	2
20	16	20	2
21	17	21	1
22	17	22	1
23	18	23	2
24	19	20	1
25	22	24	2
26	23	24	1
27	24	25	1
28	4	26	1
29	5	27	1
30	6	28	1
31	8	29	1
32	10	30	1
33	10	31	1
34	12	32	1
35	12	33	1
36	15	34	1
37	16	35	1
38	18	36	1
39	20	37	1
40	22	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1