@<TRIPOS>MOLECULE
DB03370
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.1378     5.2693    -2.2116	Cl	1	noname	-0.0735
2	C1     0.5669     3.7446    -2.3690	C.2	1	noname	0.0115
3	C2     1.9784     3.6100    -2.3766	C.2	1	noname	0.0156
4	C3    -0.2574     2.5817    -2.4954	C.2	1	noname	-0.0162
5	Cl2     2.9801     4.9607    -2.2429	Cl	1	noname	-0.0733
6	C4     2.5261     2.3000    -2.5006	C.2	1	noname	-0.0291
7	C5     0.3151     1.2658    -2.5821	C.2	1	noname	-0.0550
8	C6    -1.7009     2.7906    -2.5854	C.3	1	noname	0.0168
9	C7     1.7292     1.1206    -2.5924	C.2	1	noname	-0.0520
10	C8    -2.2860     2.6644    -1.1694	C.3	1	noname	-0.0275
11	C9    -3.8127     2.6003    -0.8724	C.3	1	noname	-0.0274
12	N1    -4.0149     2.7479     0.5562	N.3	1	noname	-0.0193
13	C10    -4.5939     1.4806    -1.6080	C.3	1	noname	0.0702
14	C11    -4.7095     3.7906     1.0400	C.2	1	noname	-0.0341
15	C12    -3.4534     2.1028     1.6044	C.2	1	noname	-0.0304
16	O1    -5.9650     1.5424    -1.2439	O.3	1	noname	-0.3913
17	C13    -4.0226     0.1170    -1.2142	C.3	1	noname	-0.0371
18	N2    -4.5688     3.8254     2.3793	N.2	1	noname	-0.2123
19	C14    -3.8094     2.7911     2.7657	C.2	1	noname	0.0530
20	C15    -3.4471     2.4670     4.0679	C.2	1	noname	0.0418
21	O2    -3.8391     3.1753     5.0204	O.2	1	noname	-0.2854
22	N3    -2.6777     1.3953     4.3022	N.3	1	noname	-0.0777
23	H1     3.6107     2.1948    -2.5265	H	1	noname	0.0638
24	H2    -0.3202     0.3819    -2.6397	H	1	noname	0.0626
25	H3    -1.8403     3.8200    -2.9157	H	1	noname	0.0317
26	H4    -2.0916     1.9683    -3.1847	H	1	noname	0.0317
27	H5     2.1884     0.1350    -2.6685	H	1	noname	0.0623
28	H6    -1.9103     1.7004    -0.8263	H	1	noname	0.0290
29	H7    -1.9606     3.5819    -0.6793	H	1	noname	0.0290
30	H8    -4.3368     3.4764    -1.2545	H	1	noname	0.0536
31	H9    -4.5803     1.6125    -2.6899	H	1	noname	0.0616
32	H10    -5.2918     4.4932     0.4437	H	1	noname	0.1015
33	H11    -2.8369     1.2071     1.5285	H	1	noname	0.0816
34	H12    -6.0422     1.5459    -0.2871	H	1	noname	0.2105
35	H13    -3.9891     0.0371    -0.1277	H	1	noname	0.0257
36	H14    -4.6567    -0.6727    -1.6172	H	1	noname	0.0257
37	H15    -3.0150     0.0151    -1.6172	H	1	noname	0.0257
38	H16    -3.0982     0.4812     4.3905	H	1	noname	0.1275
39	H17    -1.6772     1.5015     4.3905	H	1	noname	0.1275
@<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	4	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	10	11	1
12	11	12	1
13	11	13	1
14	12	14	1
15	12	15	1
16	13	16	1
17	13	17	1
18	14	18	2
19	15	19	2
20	18	19	1
21	19	20	1
22	20	21	2
23	20	22	1
24	6	23	1
25	7	24	1
26	8	25	1
27	8	26	1
28	9	27	1
29	10	28	1
30	10	29	1
31	11	30	1
32	13	31	1
33	14	32	1
34	15	33	1
35	16	34	1
36	17	35	1
37	17	36	1
38	17	37	1
39	22	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1