@<TRIPOS>MOLECULE
DB07305
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.4508    -1.1812     0.0253	Cl	1	noname	-0.0724
2	C1     1.4229     0.1562     0.0518	C.2	1	noname	0.0428
3	C2    -0.0096    -0.0263    -0.0059	C.2	1	noname	0.0354
4	C3     1.9660     1.4838     0.1318	C.2	1	noname	0.0650
5	C4    -0.6233    -1.2763    -0.3338	C.2	1	noname	0.0811
6	C5    -0.8949     1.0989     0.0880	C.2	1	noname	0.0058
7	C6     1.0608     2.5924     0.1703	C.2	1	noname	0.0534
8	O1    -1.9473    -1.5623    -0.1825	O.3	1	noname	-0.3209
9	C7    -0.0670    -2.3822    -0.9917	C.2	1	noname	0.0243
10	C8    -0.3580     2.4284     0.1594	C.2	1	noname	0.0364
11	N1     1.5516     3.8007     0.2172	N.2	1	noname	-0.0126
12	C9    -2.2350    -2.7711    -0.7103	C.2	1	noname	0.0864
13	C10    -1.0765    -3.3136    -1.2209	C.2	1	noname	0.0497
14	O2     2.5819     4.0305    -0.2755	O.2	1	noname	-0.1445
15	O3     0.9085     4.7225     0.7978	O.3	1	noname	-0.1445
16	C11    -3.4900    -3.3681    -0.7345	C.2	1	noname	0.1225
17	O4    -4.5185    -2.6594    -0.7836	O.2	1	noname	-0.2453
18	O5    -3.5982    -4.7135    -0.7050	O.3	1	noname	-0.2088
19	H1     3.0433     1.6467     0.1627	H	1	noname	0.0662
20	H2    -1.9737     0.9438     0.1050	H	1	noname	0.0631
21	H3     0.9782    -2.4987    -1.2780	H	1	noname	0.0651
22	H4    -1.0151     3.2969     0.2045	H	1	noname	0.0647
23	H5    -0.9783    -4.2838    -1.7079	H	1	noname	0.0653
24	H6    -3.6223    -5.0127     0.2068	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	1
8	5	9	2
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	9	13	1
14	11	14	2
15	11	15	1
16	12	16	1
17	12	13	2
18	16	17	2
19	16	18	1
20	4	19	1
21	6	20	1
22	9	21	1
23	10	22	1
24	13	23	1
25	18	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1