@<TRIPOS>MOLECULE
DB01104
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.3343     4.2167    -3.4725	Cl	1	noname	-0.0730
2	C1     3.9619     4.2726    -2.4930	C.2	1	noname	0.0182
3	C2     3.8100     5.2984    -1.5673	C.2	1	noname	0.0141
4	C3     2.9831     3.2929    -2.6115	C.2	1	noname	-0.0166
5	Cl2     4.9981     6.4875    -1.4234	Cl	1	noname	-0.0742
6	C4     2.6793     5.3444    -0.7602	C.2	1	noname	-0.0192
7	C5     1.8523     3.3389    -1.8044	C.2	1	noname	-0.0413
8	C6     1.7004     4.3647    -0.8788	C.2	1	noname	-0.0470
9	C7     0.7559     2.2416    -1.9372	C.3	1	noname	0.0445
10	C8     0.4942     1.4344    -0.6748	C.2	1	noname	-0.0436
11	C9    -0.4984     3.0177    -2.4570	C.3	1	noname	-0.0404
12	C10    -0.8732     1.1361    -0.2307	C.2	1	noname	-0.0447
13	C11     1.6041     0.9187     0.0978	C.2	1	noname	-0.0563
14	C12    -1.8304     2.2328    -2.3756	C.3	1	noname	-0.0326
15	C13    -1.1014     0.3994     0.9790	C.2	1	noname	-0.0519
16	C14    -2.0921     1.5551    -0.9970	C.3	1	noname	0.0321
17	C15     1.3618     0.2379     1.3164	C.2	1	noname	-0.0608
18	C16     0.0295    -0.0061     1.7400	C.2	1	noname	-0.0627
19	N1    -2.9285     2.4373    -0.1695	N.3	1	noname	-0.3129
20	C17    -2.1630     3.6257     0.2033	C.3	1	noname	-0.0158
21	H1     3.1022     2.4885    -3.3374	H	1	noname	0.0641
22	H2     2.5602     6.1488    -0.0344	H	1	noname	0.0638
23	H3     0.8137     4.4008    -0.2459	H	1	noname	0.0626
24	H4     1.0731     1.4355    -2.5989	H	1	noname	0.0402
25	H5    -0.6213     3.8672    -1.7851	H	1	noname	0.0277
26	H6    -0.3250     3.1843    -3.5201	H	1	noname	0.0277
27	H7     2.6323     1.0443    -0.2414	H	1	noname	0.0625
28	H8    -2.6175     2.9773    -2.4957	H	1	noname	0.0286
29	H9    -1.7357     1.4190    -3.0944	H	1	noname	0.0286
30	H10    -2.1098     0.1537     1.3119	H	1	noname	0.0626
31	H11    -2.6209     0.6185    -1.1736	H	1	noname	0.0515
32	H12     2.1996    -0.0978     1.9276	H	1	noname	0.0622
33	H13    -0.1313    -0.5244     2.6853	H	1	noname	0.0622
34	H14    -3.8841     2.2546     0.1016	H	1	noname	0.1225
35	H15    -2.1147     3.7007     1.2897	H	1	noname	0.0391
36	H16    -1.1536     3.5493    -0.2008	H	1	noname	0.0391
37	H17    -2.6500     4.5132    -0.2008	H	1	noname	0.0391
@<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	6	8	2
8	9	7	1
9	7	8	1
10	9	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	12	15	1
16	12	16	1
17	13	17	2
18	14	16	1
19	15	18	2
20	16	19	1
21	17	18	1
22	19	20	1
23	4	21	1
24	6	22	1
25	8	23	1
26	9	24	1
27	11	25	1
28	11	26	1
29	13	27	1
30	14	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	20	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1