@<TRIPOS>MOLECULE
72941538
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.8160    -3.8129    -0.2236	Cl	1	noname	-0.0601
2	S1    -0.1992    -4.3126    -0.5864	S	1	noname	-0.1186
3	O1    -1.8108     0.7096    -2.0715	O.2	1	noname	-0.2738
4	O2    -1.6975    -4.2880    -0.0549	O.2	1	noname	-0.1986
5	O3    -0.1643    -4.9471    -2.0440	O.2	1	noname	-0.1986
6	N1    -0.2320     2.1310    -0.8919	N.3	1	noname	-0.1245
7	N2     2.0236     1.1840    -0.7964	N.3	1	noname	-0.1170
8	N3     0.7766    -5.2653     0.4813	N.3	1	noname	-0.0098
9	C1     1.2351     2.3673    -1.0367	C.3	1	noname	0.0732
10	C2     1.4954    -0.0790    -0.7171	C.2	1	noname	0.0510
11	C3     0.0819    -0.3061    -0.9613	C.2	1	noname	0.0037
12	C4    -0.7718     0.8277    -1.3865	C.2	1	noname	0.0947
13	C5     1.5647     3.0050    -2.3968	C.3	1	noname	-0.0350
14	C6    -1.0340     3.0518    -0.3399	C.2	1	noname	-0.0195
15	C7    -0.4796    -1.6210    -0.8824	C.2	1	noname	0.0654
16	C8     2.3725    -1.1767    -0.4574	C.2	1	noname	0.0008
17	C9     0.4184    -2.6977    -0.6455	C.2	1	noname	0.0270
18	C10     1.8056    -2.4823    -0.4566	C.2	1	noname	0.0730
19	C11    -2.3963     2.8038    -0.2183	C.2	1	noname	-0.0326
20	C12    -0.5035     4.2548     0.1112	C.2	1	noname	-0.0326
21	C13    -3.2281     3.7589     0.3544	C.2	1	noname	-0.0533
22	C14    -1.3354     5.2099     0.6839	C.2	1	noname	-0.0533
23	C15    -2.6977     4.9619     0.8054	C.2	1	noname	-0.0596
24	H1     1.5326     3.0986    -0.2854	H	1	noname	0.0646
25	H2     2.6129     1.3360    -0.0412	H	1	noname	0.1297
26	H3     2.6403     3.1646    -2.4721	H	1	noname	0.0260
27	H4     1.0485     3.9609    -2.4846	H	1	noname	0.0260
28	H5     1.2390     2.3413    -3.1977	H	1	noname	0.0260
29	H6    -1.4814    -1.7786    -0.9916	H	1	noname	0.0648
30	H7     3.3662    -1.0304    -0.2796	H	1	noname	0.0655
31	H8    -2.7855     1.9210    -0.5493	H	1	noname	0.0639
32	H9     0.4961     4.4367     0.0220	H	1	noname	0.0639
33	H10    -4.2278     3.5770     0.4436	H	1	noname	0.0623
34	H11    -0.9462     6.0927     1.0149	H	1	noname	0.0623
35	H12    -3.3081     5.6628     1.2256	H	1	noname	0.0622
36	H13     0.1725    -5.8140     1.0965	H	1	noname	0.1404
37	H14     1.3666    -5.8946    -0.0667	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	18	1
2	2	4	2
3	2	5	2
4	2	8	1
5	2	17	1
6	3	12	2
7	6	9	1
8	6	12	1
9	6	14	1
10	7	9	1
11	7	10	1
12	7	25	1
13	8	36	1
14	8	37	1
15	9	13	1
16	9	24	1
17	10	11	1
18	10	16	2
19	11	12	1
20	11	15	2
21	13	26	1
22	13	27	1
23	13	28	1
24	14	19	2
25	14	20	1
26	15	17	1
27	15	29	1
28	16	18	1
29	16	30	1
30	17	18	2
31	19	21	1
32	19	31	1
33	20	22	2
34	20	32	1
35	21	23	2
36	21	33	1
37	22	23	1
38	22	34	1
39	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1