@<TRIPOS>MOLECULE
DB07559
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.9306    -0.1536    -0.9207	Cl	1	noname	-0.0777
2	C1    -0.7132     0.8186     0.4490	C.2	1	noname	0.0090
3	C2    -1.2223     0.6356     1.8046	C.2	1	noname	-0.0075
4	C3     0.0694     1.9178     0.0586	C.2	1	noname	0.0014
5	C4    -2.1772    -0.4647     2.1819	C.2	1	noname	-0.0072
6	C5    -0.7595     1.6183     2.7673	C.2	1	noname	-0.0291
7	C6     0.4535     2.8871     1.0004	C.2	1	noname	-0.0102
8	C7    -3.1193    -0.4855     3.3043	C.2	1	noname	0.0009
9	C8    -2.2868    -1.6213     1.3288	C.2	1	noname	-0.0373
10	C9     0.0497     2.7304     2.3592	C.2	1	noname	-0.0288
11	N1     1.2807     3.9182     0.6148	N.3	1	noname	-0.1314
12	Cl2    -3.2250     0.6731     4.5289	Cl	1	noname	-0.0795
13	C10    -4.1162    -1.5045     3.5077	C.2	1	noname	-0.0239
14	C11    -3.2612    -2.6439     1.4997	C.2	1	noname	-0.0545
15	C12     1.9634     4.2553    -0.5490	C.2	1	noname	0.1297
16	C13    -4.1729    -2.5784     2.5814	C.2	1	noname	-0.0507
17	O1     2.7514     5.2321    -0.5143	O.2	1	noname	-0.2657
18	C14     1.8553     3.6476    -1.7874	C.2	1	noname	0.1123
19	C15     1.2657     4.2642    -2.7328	C.1	1	noname	0.1049
20	C16     2.2970     2.4325    -2.1265	C.2	1	noname	0.0329
21	N2     0.7385     4.8149    -3.5918	N.1	1	noname	-0.1750
22	O2     2.8767     1.5199    -1.3623	O.3	1	noname	-0.2848
23	C17     2.1199     2.0697    -3.4983	C.3	1	noname	-0.0167
24	H1     0.3803     2.0193    -0.9811	H	1	noname	0.0655
25	H2    -1.0256     1.5190     3.8196	H	1	noname	0.0630
26	H3    -1.5870    -1.7299     0.5002	H	1	noname	0.0629
27	H4     0.3637     3.4703     3.0954	H	1	noname	0.0639
28	H5     1.4192     4.5840     1.3615	H	1	noname	0.1374
29	H6    -4.8130    -1.4639     4.3449	H	1	noname	0.0638
30	H7    -3.3093    -3.4788     0.8007	H	1	noname	0.0622
31	H8    -4.9232    -3.3598     2.7018	H	1	noname	0.0623
32	H9     2.7367     1.7403    -0.4385	H	1	noname	0.2177
33	H10     2.1082     0.9835    -3.5882	H	1	noname	0.0301
34	H11     1.1755     2.4745    -3.8621	H	1	noname	0.0301
35	H12     2.9408     2.4745    -4.0901	H	1	noname	0.0301
@<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	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	8	13	1
14	9	14	2
15	11	15	1
16	13	16	2
17	14	16	1
18	15	17	2
19	15	18	1
20	18	19	1
21	18	20	2
22	19	21	3
23	20	22	1
24	20	23	1
25	4	24	1
26	6	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	13	29	1
31	14	30	1
32	16	31	1
33	22	32	1
34	23	33	1
35	23	34	1
36	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1