@<TRIPOS>MOLECULE
DB07288
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     8.9744     1.7043     2.5903	Cl	1	noname	-0.0855
2	C1     7.7012     2.6653     2.0412	C.2	1	noname	-0.0133
3	C2     7.0637     3.5540     2.9622	C.2	1	noname	-0.0195
4	C3     7.3018     2.5601     0.6755	C.2	1	noname	-0.0195
5	C4     5.9667     4.3504     2.5079	C.2	1	noname	-0.0255
6	C5     6.2117     3.3592     0.2164	C.2	1	noname	-0.0255
7	C6     5.5308     4.2185     1.1311	C.2	1	noname	-0.0178
8	N1     4.4376     4.8118     0.5714	N.3	1	noname	-0.1389
9	C7     3.2751     5.1837     1.3019	C.2	1	noname	0.0854
10	O1     3.1863     4.8138     2.4926	O.2	1	noname	-0.2764
11	C8     2.1749     5.9748     0.7425	C.2	1	noname	-0.0236
12	C9     1.1006     6.3509     1.6329	C.2	1	noname	0.0110
13	C10     2.1608     6.4134    -0.6281	C.2	1	noname	-0.0164
14	N2     1.1205     6.1312     2.9715	N.3	1	noname	-0.1320
15	C11    -0.0431     7.0496     1.1286	C.2	1	noname	-0.0545
16	C12     1.0468     7.1715    -1.0863	C.2	1	noname	-0.0774
17	C13     1.8445     6.9731     3.8628	C.3	1	noname	0.0252
18	C14    -0.0448     7.4625    -0.2321	C.2	1	noname	-0.0417
19	C15     1.8412     6.5332     5.2599	C.2	1	noname	-0.0284
20	C16     3.1306     6.3986     5.8636	C.2	1	noname	-0.0181
21	C17     0.5884     6.3116     5.9198	C.2	1	noname	-0.0181
22	C18     3.1443     6.0013     7.2229	C.2	1	noname	-0.0006
23	C19     0.6619     5.9036     7.2726	C.2	1	noname	-0.0006
24	N3     1.9209     5.7791     7.8315	N.2	1	noname	-0.2538
25	H1     7.4083     3.6232     3.9940	H	1	noname	0.0638
26	H2     7.8192     1.8826    -0.0038	H	1	noname	0.0638
27	H3     5.4752     5.0406     3.1937	H	1	noname	0.0639
28	H4     5.9009     3.3134    -0.8274	H	1	noname	0.0639
29	H5     4.4910     4.9824    -0.4226	H	1	noname	0.1374
30	H6     2.9795     6.1756    -1.3072	H	1	noname	0.0631
31	H7     0.5939     5.3370     3.3061	H	1	noname	0.1285
32	H8    -0.8981     7.2636     1.7699	H	1	noname	0.0639
33	H9     1.0292     7.5370    -2.1131	H	1	noname	0.0622
34	H10     2.8804     6.9160     3.5285	H	1	noname	0.0482
35	H11     1.3173     7.9270     3.8432	H	1	noname	0.0482
36	H12    -0.8988     8.0123    -0.6277	H	1	noname	0.0623
37	H13     4.0541     6.5888     5.3167	H	1	noname	0.0642
38	H14    -0.3703     6.4463     5.4190	H	1	noname	0.0642
39	H15     4.0694     5.8703     7.7843	H	1	noname	0.0839
40	H16    -0.2264     5.6912     7.8675	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	12	15	1
16	13	16	2
17	14	17	1
18	15	18	2
19	16	18	1
20	17	19	1
21	19	20	2
22	19	21	1
23	20	22	1
24	21	23	2
25	22	24	2
26	23	24	1
27	3	25	1
28	4	26	1
29	5	27	1
30	6	28	1
31	8	29	1
32	13	30	1
33	14	31	1
34	15	32	1
35	16	33	1
36	17	34	1
37	17	35	1
38	18	36	1
39	20	37	1
40	21	38	1
41	22	39	1
42	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1