@<TRIPOS>MOLECULE
117587626
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.1793    -1.8076     0.4098	Cl	1	noname	-0.0748
2	Cl2    -3.2972    -3.6397     2.9232	Cl	1	noname	-0.0693
3	O1     2.9115    -4.4141     0.4363	O.2	1	noname	-0.3002
4	O2    -2.0479     1.7318    -0.6161	O.3	1	noname	-0.2173
5	O3    -0.8398     3.0779    -1.1992	O.2	1	noname	-0.2457
6	O4     1.0598    -1.4662     4.1898	O.3	1	noname	-0.2249
7	O5     1.4895    -0.1433     2.9550	O.2	1	noname	-0.2558
8	N1     1.9320     0.0942     0.1418	N.3	1	noname	-0.0307
9	N2     1.3999     2.0481    -0.6768	N.2	1	noname	-0.1786
10	N3    -0.9022     2.2240    -0.3855	N.2	1	noname	-0.1692
11	N4     1.0932    -1.2423     2.9330	N.2	1	noname	-0.2017
12	C1     0.5503     0.2056     0.2791	C.2	1	noname	-0.0253
13	C2     2.8589    -0.9733     0.4143	C.3	1	noname	0.0246
14	C3    -0.3481    -0.7379     0.9516	C.2	1	noname	0.0281
15	C4     2.4586    -2.2394    -0.3704	C.3	1	noname	0.0220
16	C5     0.2302     1.4754    -0.3135	C.2	1	noname	0.0963
17	C6     2.4085     1.2296    -0.4042	C.2	1	noname	-0.0263
18	C7    -0.0362    -1.4191     2.1916	C.2	1	noname	0.0477
19	C8    -1.6128    -1.0266     0.3820	C.2	1	noname	0.0149
20	C9     3.3721    -3.3586    -0.0618	C.2	1	noname	0.1315
21	C10    -0.9332    -2.4090     2.6699	C.2	1	noname	0.0361
22	C11    -2.5953    -1.7821     1.0342	C.2	1	noname	0.0197
23	C12    -2.2348    -2.5422     2.1658	C.2	1	noname	0.0340
24	C13     4.8217    -3.2148    -0.2981	C.3	1	noname	-0.0056
25	H1     2.9951    -1.2228     1.4687	H	1	noname	0.0477
26	H2     3.8715    -0.6528     0.1282	H	1	noname	0.0477
27	H3     1.4304    -2.5275    -0.1287	H	1	noname	0.0362
28	H4     2.4937    -2.0112    -1.4509	H	1	noname	0.0362
29	H5     3.3978     1.4426    -0.6050	H	1	noname	0.1016
30	H6    -1.8334    -0.6996    -0.5611	H	1	noname	0.0646
31	H7    -0.6668    -3.0347     3.4265	H	1	noname	0.0672
32	H8     4.9866    -2.9910    -1.3535	H	1	noname	0.0310
33	H9     5.2460    -2.4079     0.3023	H	1	noname	0.0310
34	H10     5.3524    -4.1217    -0.0224	H	1	noname	0.0310
35	H11    -1.9738     0.9045    -1.0823	H	1	noname	0.2598
36	H12     1.2143    -2.4196     4.3560	H	1	noname	0.2597
37	H13    -0.9547     2.6110     0.4783	H	1	noname	0.2795
38	H14     1.7076    -1.8307     2.5628	H	1	noname	0.2775
@<TRIPOS>BOND
1	1	22	1
2	2	23	1
3	3	20	2
4	4	10	1
5	4	35	1
6	5	10	2
7	6	11	1
8	6	36	1
9	7	11	2
10	8	12	1
11	8	13	1
12	8	17	1
13	9	16	1
14	9	17	2
15	10	16	1
16	10	37	1
17	11	18	1
18	11	38	1
19	12	14	1
20	12	16	2
21	13	15	1
22	13	25	1
23	13	26	1
24	14	18	1
25	14	19	2
26	15	20	1
27	15	27	1
28	15	28	1
29	17	29	1
30	18	21	2
31	19	22	1
32	19	30	1
33	20	24	1
34	21	23	1
35	21	31	1
36	22	23	2
37	24	32	1
38	24	33	1
39	24	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1