@<TRIPOS>MOLECULE
101042998
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.9883     3.5532     2.4673	Cl	1	noname	-0.0856
2	N1    -0.1235    -0.5149    -2.6205	N.3	1	noname	-0.3268
3	C1    -0.5635    -1.2571    -0.2315	C.3	1	noname	0.0295
4	C2    -0.5487    -2.4727     0.7272	C.3	1	noname	-0.0420
5	C3    -2.1060    -1.4454    -0.2789	C.3	1	noname	-0.0420
6	C4    -2.0679    -2.6528     0.6666	C.3	1	noname	-0.0515
7	C5     0.1201    -1.5911    -1.6382	C.3	1	noname	0.0140
8	C6    -0.1102     0.0464     0.4151	C.2	1	noname	-0.0488
9	C7     1.5821    -2.1465    -1.7833	C.3	1	noname	-0.0348
10	C8     2.7447    -1.7179    -0.8433	C.3	1	noname	-0.0456
11	C9     0.9835     0.7616    -0.1491	C.2	1	noname	-0.0488
12	C10    -0.6810     0.6282     1.5968	C.2	1	noname	-0.0488
13	C11     4.0279    -2.4413    -1.2568	C.3	1	noname	-0.0627
14	C12     2.3949    -2.0847     0.6003	C.3	1	noname	-0.0627
15	C13     1.7270     1.6586     0.6209	C.2	1	noname	-0.0268
16	C14    -0.0702     1.7388     2.2350	C.2	1	noname	-0.0268
17	C15     1.1749     2.2179     1.7793	C.2	1	noname	-0.0172
18	H1    -0.2613    -2.1443     1.7260	H	1	noname	0.0276
19	H2    -0.0964    -3.3630     0.2902	H	1	noname	0.0276
20	H3    -2.5900    -0.6069     0.2218	H	1	noname	0.0276
21	H4    -2.4581    -1.7130    -1.2752	H	1	noname	0.0276
22	H5    -2.5051    -2.3767     1.6262	H	1	noname	0.0267
23	H6    -2.3737    -3.5842     0.1901	H	1	noname	0.0267
24	H7    -0.4164    -2.3895    -2.1562	H	1	noname	0.0471
25	H8     1.5525    -3.2339    -1.8521	H	1	noname	0.0285
26	H9     1.8981    -1.8719    -2.7897	H	1	noname	0.0285
27	H10     2.8944    -0.6408    -0.9185	H	1	noname	0.0297
28	H11    -1.1294    -0.4066    -2.7648	H	1	noname	0.1187
29	H12     0.2666     0.3619    -2.2689	H	1	noname	0.1187
30	H13     1.3413     0.6236    -1.0996	H	1	noname	0.0626
31	H14    -1.5634     0.2679     2.0056	H	1	noname	0.0626
32	H15     3.2097    -1.7843     1.2591	H	1	noname	0.0233
33	H16     4.8427    -2.1409    -0.5980	H	1	noname	0.0233
34	H17     1.4807    -1.5693     0.8948	H	1	noname	0.0233
35	H18     2.2452    -3.1617     0.6754	H	1	noname	0.0233
36	H19     3.8782    -3.5183    -1.1816	H	1	noname	0.0233
37	H20     4.2771    -2.1799    -2.2852	H	1	noname	0.0233
38	H21     2.6427     1.9365     0.2863	H	1	noname	0.0638
39	H22    -0.5350     2.2007     3.0254	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	17	1
2	7	2	1
3	2	28	1
4	2	29	1
5	3	4	1
6	3	5	1
7	3	7	1
8	3	8	1
9	4	6	1
10	4	18	1
11	4	19	1
12	5	6	1
13	5	20	1
14	5	21	1
15	6	22	1
16	6	23	1
17	7	9	1
18	7	24	1
19	8	11	2
20	8	12	1
21	9	10	1
22	9	25	1
23	9	26	1
24	10	13	1
25	10	14	1
26	10	27	1
27	11	15	1
28	11	30	1
29	12	16	2
30	12	31	1
31	13	33	1
32	13	36	1
33	13	37	1
34	14	32	1
35	14	34	1
36	14	35	1
37	15	17	2
38	15	38	1
39	16	17	1
40	16	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1