@<TRIPOS>MOLECULE
DB01042
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     6.9600    -2.0395     2.8646	Cl	1	noname	-0.1252
2	C1     5.2891    -1.5609     3.1217	C.3	1	noname	0.0355
3	C2     4.8473    -0.6252     1.9947	C.3	1	noname	0.0167
4	N1     3.5064    -0.2412     2.2011	N.3	1	noname	-0.1339
5	C3     3.1195     0.5783     1.2140	C.2	1	noname	-0.0338
6	C4     2.6852    -1.3874     2.2095	C.3	1	noname	0.0167
7	C5     3.2892     1.9517     1.3442	C.2	1	noname	-0.0661
8	C6     2.5483     0.0549     0.0599	C.2	1	noname	-0.0661
9	C7     1.2302    -0.9707     2.4334	C.3	1	noname	0.0355
10	C8     2.8879     2.8018     0.3203	C.2	1	noname	-0.0595
11	C9     2.1470     0.9050    -0.9640	C.2	1	noname	-0.0595
12	Cl2     0.2069    -2.3989     2.4439	Cl	1	noname	-0.1252
13	C10     2.3167     2.2784    -0.8338	C.2	1	noname	-0.0841
14	C11     1.8952     3.1713    -1.9093	C.3	1	noname	-0.0030
15	C12     3.0557     3.3783    -2.8846	C.3	1	noname	0.0953
16	N2     2.6335     4.2724    -3.9616	N.3	1	noname	-0.3191
17	C13     3.4533     2.0915    -3.4482	C.2	1	noname	0.1438
18	O1     4.6175     1.6685    -3.2801	O.2	1	noname	-0.2495
19	O2     2.5636     1.3585    -4.1508	O.3	1	noname	-0.2139
20	H1     4.6472    -2.4353     3.0138	H	1	noname	0.0448
21	H2     5.2282    -0.9479     4.0209	H	1	noname	0.0448
22	H3     5.4260     0.2953     2.0708	H	1	noname	0.0447
23	H4     4.8450    -1.1921     1.0637	H	1	noname	0.0447
24	H5     2.7676    -1.8086     1.2075	H	1	noname	0.0447
25	H6     3.0091    -1.9680     3.0732	H	1	noname	0.0447
26	H7     3.7371     2.3621     2.2492	H	1	noname	0.0639
27	H8     2.4152    -1.0221    -0.0422	H	1	noname	0.0639
28	H9     1.2275    -0.5230     3.4273	H	1	noname	0.0448
29	H10     0.9860    -0.3636     1.5616	H	1	noname	0.0448
30	H11     3.0210     3.8788     0.4224	H	1	noname	0.0626
31	H12     1.6991     0.4946    -1.8691	H	1	noname	0.0626
32	H13     1.1055     2.6440    -2.4445	H	1	noname	0.0337
33	H14     1.6865     4.1314    -1.4374	H	1	noname	0.0337
34	H15     3.9252     3.8185    -2.3966	H	1	noname	0.0575
35	H16     1.6734     4.5813    -4.0144	H	1	noname	0.1191
36	H17     3.3021     4.5813    -4.6528	H	1	noname	0.1191
37	H18     1.9892     0.8851    -3.5445	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	9	12	1
12	10	13	2
13	11	13	1
14	13	14	1
15	14	15	1
16	15	16	1
17	15	17	1
18	17	18	2
19	17	19	1
20	2	20	1
21	2	21	1
22	3	22	1
23	3	23	1
24	6	24	1
25	6	25	1
26	7	26	1
27	8	27	1
28	9	28	1
29	9	29	1
30	10	30	1
31	11	31	1
32	14	32	1
33	14	33	1
34	15	34	1
35	16	35	1
36	16	36	1
37	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1