@<TRIPOS>MOLECULE
67019436
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -3.1129    -3.0934     3.3653	Cl	1	noname	-0.0806
2	S1     2.2970     1.1529    -0.5485	S.3	1	noname	-0.2363
3	O1    -5.1591    -1.0437     0.5388	O.3	1	noname	-0.2033
4	O2    -3.6595     0.2810    -0.4949	O.2	1	noname	-0.2463
5	N1    -1.6420    -0.1912     1.0580	N.3	1	noname	-0.2830
6	C1    -0.5822    -0.5675     2.0411	C.3	1	noname	0.0045
7	C2    -1.2903    -0.4544    -0.3699	C.3	1	noname	0.0256
8	C3    -2.8841    -0.8871     1.3902	C.3	1	noname	0.1238
9	C4     0.7531     0.2048     1.7777	C.3	1	noname	0.0405
10	C5     0.0222     0.1637    -0.7122	C.2	1	noname	-0.0210
11	C6     0.9425     0.4417     0.3105	C.2	1	noname	0.0201
12	C7    -3.3101    -0.5077     2.7341	C.2	1	noname	-0.0097
13	C8     0.4161     0.5085    -2.0246	C.2	1	noname	-0.0222
14	C9    -3.9200    -0.5194     0.4293	C.2	1	noname	0.1505
15	C10     1.6741     1.1042    -2.1977	C.2	1	noname	0.0004
16	C11    -3.4434    -1.4777     3.7207	C.2	1	noname	-0.0009
17	C12    -3.5824     0.8235     3.0269	C.2	1	noname	-0.0392
18	C13    -3.8489    -1.1164     5.0002	C.2	1	noname	-0.0247
19	C14    -3.9880     1.1848     4.3064	C.2	1	noname	-0.0553
20	C15    -4.1213     0.2148     5.2931	C.2	1	noname	-0.0508
21	C16    -6.2859    -0.3011     0.0970	C.3	1	noname	0.0454
22	H1    -0.9317    -0.3548     3.0514	H	1	noname	0.0434
23	H2    -0.3986    -1.6348     1.9179	H	1	noname	0.0434
24	H3    -2.0652    -0.0432    -1.0168	H	1	noname	0.0481
25	H4    -1.2560    -1.5193    -0.6000	H	1	noname	0.0481
26	H5    -2.7187    -1.9638     1.3519	H	1	noname	0.0629
27	H6     0.7288     1.1612     2.3000	H	1	noname	0.0337
28	H7     1.6194    -0.2979     2.2078	H	1	noname	0.0337
29	H8    -0.1953     0.3299    -2.8212	H	1	noname	0.0634
30	H9     2.1162     1.4270    -3.0584	H	1	noname	0.0739
31	H10    -3.4846     1.5353     2.3029	H	1	noname	0.0626
32	H11    -3.9467    -1.8282     5.7242	H	1	noname	0.0638
33	H12    -4.1878     2.1617     4.5213	H	1	noname	0.0622
34	H13    -4.4189     0.4799     6.2320	H	1	noname	0.0623
35	H14    -6.9640    -0.1371     0.9345	H	1	noname	0.0536
36	H15    -6.8029    -0.8564    -0.6856	H	1	noname	0.0536
37	H16    -5.9559     0.6601    -0.2969	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	16	1
2	2	11	1
3	2	15	1
4	3	14	1
5	3	21	1
6	4	14	2
7	5	6	1
8	5	7	1
9	5	8	1
10	6	9	1
11	6	22	1
12	6	23	1
13	7	10	1
14	7	24	1
15	7	25	1
16	8	12	1
17	8	14	1
18	8	26	1
19	9	11	1
20	9	27	1
21	9	28	1
22	10	11	2
23	10	13	1
24	12	16	1
25	12	17	2
26	13	15	2
27	13	29	1
28	15	30	1
29	16	18	2
30	17	19	1
31	17	31	1
32	18	20	1
33	18	32	1
34	19	20	2
35	19	33	1
36	20	34	1
37	21	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1