@<TRIPOS>MOLECULE
91663265
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.4365    -3.0142    -3.7072	Cl	1	noname	-0.0606
2	S1    -1.6394    -3.5402    -2.4808	S	1	noname	-0.1186
3	O1    -1.8474     0.9237     0.7589	O.2	1	noname	-0.2936
4	O2    -3.1720    -3.3344    -2.0658	O.2	1	noname	-0.1986
5	O3    -1.0534    -4.7939    -1.6652	O.2	1	noname	-0.1986
6	N1     1.6735     1.1910    -1.1656	N.3	1	noname	-0.1151
7	N2    -0.1216     2.1811     0.0865	N.3	1	noname	-0.0623
8	N3    -1.5948    -3.9364    -4.1970	N.3	1	noname	-0.0098
9	C1     1.2613     2.2696    -0.3100	C.3	1	noname	0.0944
10	C2     0.8776     0.1326    -1.4224	C.2	1	noname	0.0449
11	C3    -0.3862    -0.0269    -0.8172	C.2	1	noname	0.0028
12	C4     1.7424     3.6069    -0.7838	C.2	1	noname	-0.0408
13	C5    -0.8067     1.0094     0.0514	C.2	1	noname	0.0201
14	C6    -1.1421    -1.1547    -1.1869	C.2	1	noname	0.0592
15	C7    -0.6386    -2.1209    -2.0915	C.2	1	noname	0.0263
16	C8     1.3895    -0.7895    -2.3419	C.2	1	noname	0.0002
17	C9     0.6542    -1.9439    -2.6536	C.2	1	noname	0.0671
18	C10     1.5060     4.7760    -0.0112	C.2	1	noname	-0.0480
19	C11     2.5075     3.7655    -1.9752	C.2	1	noname	-0.0480
20	C12     1.9322     6.0401    -0.4519	C.2	1	noname	-0.0581
21	C13     2.9414     5.0239    -2.4154	C.2	1	noname	-0.0581
22	C14     2.6393     6.1645    -1.6563	C.2	1	noname	-0.0610
23	H1     1.8080     2.0451     0.5941	H	1	noname	0.0696
24	H2     2.5486     1.2343    -1.6051	H	1	noname	0.1301
25	H3    -0.5671     2.9607     0.4839	H	1	noname	0.1333
26	H4    -2.0831    -1.2706    -0.7944	H	1	noname	0.0648
27	H5     2.3267    -0.6228    -2.7666	H	1	noname	0.0655
28	H6     1.0084     4.7138     0.8780	H	1	noname	0.0626
29	H7     2.7599     2.9704    -2.5466	H	1	noname	0.0626
30	H8     1.7325     6.8721     0.0903	H	1	noname	0.0622
31	H9     3.4717     5.0841    -3.2886	H	1	noname	0.0622
32	H10     2.9474     7.0682    -1.9977	H	1	noname	0.0622
33	H11    -2.5494    -4.0185    -4.5526	H	1	noname	0.1404
34	H12    -1.1045    -4.8233    -4.3292	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	17	1
2	2	4	2
3	2	5	2
4	2	8	1
5	2	15	1
6	3	13	2
7	6	9	1
8	6	10	1
9	6	24	1
10	7	9	1
11	7	13	1
12	7	25	1
13	8	33	1
14	8	34	1
15	9	12	1
16	9	23	1
17	10	11	1
18	10	16	2
19	11	13	1
20	11	14	2
21	12	18	2
22	12	19	1
23	14	15	1
24	14	26	1
25	15	17	2
26	16	17	1
27	16	27	1
28	18	20	1
29	18	28	1
30	19	21	2
31	19	29	1
32	20	22	2
33	20	30	1
34	21	22	1
35	21	31	1
36	22	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1