@<TRIPOS>MOLECULE
91800035
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -3.6730    -1.6225     0.6376	Cl	1	noname	-0.0698
2	S1     1.9396     1.5653     0.0154	S.3	1	noname	-0.0796
3	O1    -2.2228     3.0705    -0.3496	O.2	1	noname	-0.2841
4	N1    -0.8077    -2.1342     0.4907	N.3	1	noname	-0.0075
5	N2     0.3020    -4.0216    -0.3115	N.3	1	noname	-0.1180
6	N3    -0.0001    -2.3726    -1.6474	N.2	1	noname	-0.2565
7	N4     1.2081     0.0537     0.2912	N.3	1	noname	0.0296
8	N5     0.4913     2.4140    -0.2134	N.2	1	noname	-0.1612
9	C1    -1.1147    -0.8169     0.3867	C.2	1	noname	-0.0225
10	C2     0.8863    -4.4950    -1.5243	C.3	1	noname	0.0221
11	C3    -0.1866    -2.8112    -0.4600	C.2	1	noname	-0.1103
12	C4    -0.1257     0.2063     0.2307	C.2	1	noname	0.0047
13	C5     0.6275    -3.2955    -2.4519	C.3	1	noname	0.0548
14	C6    -0.5164     1.5433    -0.0299	C.2	1	noname	0.0948
15	C7    -2.4886    -0.4510     0.3713	C.2	1	noname	0.0330
16	C8    -1.8836     1.8947    -0.0948	C.2	1	noname	0.1172
17	C9    -2.8679     0.8962     0.1327	C.2	1	noname	0.0781
18	H1     0.3277    -5.3593    -1.8836	H	1	noname	0.0452
19	H2     1.9574    -4.6495    -1.3941	H	1	noname	0.0452
20	H3    -0.0462    -3.5956    -3.2545	H	1	noname	0.0528
21	H4     1.5397    -2.8022    -2.7875	H	1	noname	0.0528
22	H5    -1.5917    -2.6271     0.7792	H	1	noname	0.1368
23	H6    -0.4063    -4.6248    -0.0368	H	1	noname	0.1307
24	H7    -3.8559     1.1494     0.1247	H	1	noname	0.0680
25	H8     1.6756    -0.7786     0.4632	H	1	noname	0.1438
@<TRIPOS>BOND
1	1	15	1
2	2	7	1
3	2	8	1
4	3	16	2
5	4	9	1
6	4	11	1
7	4	22	1
8	5	10	1
9	5	11	1
10	5	23	1
11	6	11	2
12	6	13	1
13	7	12	1
14	7	25	1
15	8	14	2
16	9	12	2
17	9	15	1
18	10	13	1
19	10	18	1
20	10	19	1
21	12	14	1
22	13	20	1
23	13	21	1
24	14	16	1
25	15	17	2
26	16	17	1
27	17	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1