@<TRIPOS>MOLECULE
91667958
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     8.1097    -2.3815     0.5172	Cl	1	noname	-0.0845
2	S1     1.3624    -2.3543     1.0522	S.3	1	noname	-0.1220
3	O1    -0.6892    -1.4437     3.9041	O.2	1	noname	-0.2880
4	N1     1.5595     2.0538     2.4821	N.3	1	noname	-0.0723
5	N2     0.6341     2.3547     3.3372	N.3	1	noname	-0.0943
6	N3     2.2168     0.3300     1.2294	N.2	1	noname	-0.2339
7	C1     0.3255     0.3236     2.7622	C.2	1	noname	0.0582
8	C2     1.4054     0.8169     2.1014	C.2	1	noname	-0.0139
9	C3    -0.1387     1.3107     3.5286	C.2	1	noname	-0.0510
10	C4     2.3738    -0.8897     0.5714	C.3	1	noname	0.1228
11	C5    -0.2507    -0.9982     2.8216	C.2	1	noname	0.1288
12	C6    -0.3227    -1.8531     1.5520	C.3	1	noname	0.0595
13	C7     3.7867    -1.2571     0.5580	C.2	1	noname	-0.0357
14	C8    -1.2709     1.2446     4.3995	C.3	1	noname	-0.0275
15	C9     2.8247     2.2056     3.0857	C.3	1	noname	0.0088
16	C10     4.3957    -1.7193     1.7190	C.2	1	noname	-0.0368
17	C11     4.5230    -1.1449    -0.6156	C.2	1	noname	-0.0368
18	C12     5.7408    -2.0691     1.7063	C.2	1	noname	-0.0232
19	C13     5.8681    -1.4948    -0.6283	C.2	1	noname	-0.0232
20	C14     6.4771    -1.9569     0.5326	C.2	1	noname	-0.0119
21	H1     2.1177    -0.6608    -0.4631	H	1	noname	0.0722
22	H2     0.1039     3.0909     2.9942	H	1	noname	0.1478
23	H3    -0.9235    -2.7417     1.7459	H	1	noname	0.0466
24	H4    -0.6979    -1.2223     0.7461	H	1	noname	0.0466
25	H5    -2.0092     1.9855     4.0925	H	1	noname	0.0290
26	H6    -1.7118     0.2491     4.3473	H	1	noname	0.0290
27	H7    -0.9549     1.4488     5.4225	H	1	noname	0.0290
28	H8     3.6033     1.9524     2.3662	H	1	noname	0.0414
29	H9     2.8976     1.5430     3.9482	H	1	noname	0.0414
30	H10     2.9512     3.2387     3.4095	H	1	noname	0.0414
31	H11     3.8554    -1.8016     2.5802	H	1	noname	0.0627
32	H12     4.0761    -0.8058    -1.4675	H	1	noname	0.0627
33	H13     6.1877    -2.4082     2.5582	H	1	noname	0.0638
34	H14     6.4084    -1.4124    -1.4896	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	20	1
2	2	10	1
3	2	12	1
4	3	11	2
5	4	5	1
6	4	8	1
7	4	15	1
8	5	9	1
9	5	22	1
10	6	8	2
11	6	10	1
12	7	8	1
13	7	9	2
14	7	11	1
15	9	14	1
16	10	13	1
17	10	21	1
18	11	12	1
19	12	23	1
20	12	24	1
21	13	16	2
22	13	17	1
23	14	25	1
24	14	26	1
25	14	27	1
26	15	28	1
27	15	29	1
28	15	30	1
29	16	18	1
30	16	31	1
31	17	19	2
32	17	32	1
33	18	20	2
34	18	33	1
35	19	20	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1