@<TRIPOS>MOLECULE
DB01133
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.7958    -0.9573    -0.5513	Cl	1	noname	-0.0842
2	C1     0.0192     0.4901    -0.2567	C.2	1	noname	-0.0086
3	C2     1.4020     0.5478    -0.3861	C.2	1	noname	-0.0195
4	C3    -0.6920     1.6249     0.1153	C.2	1	noname	-0.0195
5	C4     2.0735     1.7404    -0.1434	C.2	1	noname	-0.0257
6	C5    -0.0205     2.8175     0.3580	C.2	1	noname	-0.0257
7	C6     1.3623     2.8752     0.2287	C.2	1	noname	-0.0230
8	S1     2.1981     4.3595     0.5307	S.3	1	noname	-0.0997
9	C7     2.3173     5.3028    -0.9977	C.3	1	noname	0.2216
10	P1     3.1144     6.7184    -0.7096	P	1	noname	0.0272
11	P2     0.8016     5.6300    -1.5617	P	1	noname	0.0272
12	O1     4.4372     6.4329    -0.2174	O.2	1	noname	-0.2231
13	O2     3.2164     7.5254    -2.0172	O.3	1	noname	-0.1888
14	O3     2.3418     7.5381     0.3405	O.3	1	noname	-0.1888
15	O4     0.3761     4.5694    -2.4379	O.2	1	noname	-0.2231
16	O5    -0.1749     5.7391    -0.3759	O.3	1	noname	-0.1888
17	O6     0.8185     6.9605    -2.3369	O.3	1	noname	-0.1888
18	H1     1.9597    -0.3421    -0.6778	H	1	noname	0.0638
19	H2    -1.7763     1.5796     0.2167	H	1	noname	0.0638
20	H3     3.1579     1.7857    -0.2448	H	1	noname	0.0634
21	H4    -0.5782     3.7074     0.6497	H	1	noname	0.0634
22	H5     2.8526     4.7919    -1.7980	H	1	noname	0.0732
23	H6     3.2745     6.9222    -2.7618	H	1	noname	0.2260
24	H7     2.6046     7.2593     1.2208	H	1	noname	0.2260
25	H8    -0.4186     4.8590    -0.0800	H	1	noname	0.2260
26	H9     0.8278     7.6926    -1.7159	H	1	noname	0.2260
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	10	14	1
15	11	15	2
16	11	16	1
17	11	17	1
18	3	18	1
19	4	19	1
20	5	20	1
21	6	21	1
22	9	22	1
23	13	23	1
24	14	24	1
25	16	25	1
26	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1