@<TRIPOS>MOLECULE
DB07516
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -3.1321    -1.2561     3.6470	Cl	1	noname	-0.0629
2	C1    -1.9883    -1.2080     2.4349	C.2	1	noname	0.0536
3	C2    -0.6820    -1.1760     2.8007	C.2	1	noname	0.0820
4	C3    -2.5199    -1.2829     1.1884	C.2	1	noname	0.0195
5	O1    -0.4290    -1.2122     4.1093	O.3	1	noname	-0.2550
6	C4     0.4970    -1.1569     2.0398	C.2	1	noname	0.1269
7	C5    -2.0069    -0.7197     0.0939	C.2	1	noname	0.0374
8	O2     1.5987    -1.0764     2.6415	O.2	1	noname	-0.2441
9	O3     0.5819    -1.2876     0.6927	O.3	1	noname	-0.2080
10	C6    -2.3472    -0.7405    -1.2507	C.2	1	noname	0.0650
11	O4    -3.3538    -1.3751    -1.6429	O.2	1	noname	-0.3001
12	C7    -1.5058    -0.0801    -2.2019	C.2	1	noname	-0.0173
13	C8    -0.0740    -0.1130    -2.0238	C.2	1	noname	-0.0202
14	C9    -2.0663     0.6538    -3.3089	C.2	1	noname	-0.0202
15	C10     0.8010     0.6013    -2.8878	C.2	1	noname	-0.0482
16	C11    -1.2161     1.3816    -4.1956	C.2	1	noname	-0.0482
17	C12     0.1984     1.3424    -3.9540	C.2	1	noname	-0.0434
18	H1    -3.4431    -1.8467     1.0540	H	1	noname	0.0640
19	H2    -0.3730    -2.1257     4.3993	H	1	noname	0.2184
20	H3    -1.1326    -0.1215     0.3503	H	1	noname	0.0664
21	H4     0.5964    -2.2193     0.4619	H	1	noname	0.2217
22	H5     0.3602    -0.6956    -1.2114	H	1	noname	0.0630
23	H6    -3.1432     0.6584    -3.4770	H	1	noname	0.0630
24	H7     1.8808     0.5817    -2.7400	H	1	noname	0.0622
25	H8    -1.6326     1.9479    -5.0286	H	1	noname	0.0622
26	H9     0.8522     1.9076    -4.6181	H	1	noname	0.0622
@<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	6	8	2
8	6	9	1
9	7	10	1
10	10	11	2
11	10	12	1
12	12	13	2
13	12	14	1
14	13	15	1
15	14	16	2
16	15	17	2
17	16	17	1
18	4	18	1
19	5	19	1
20	7	20	1
21	9	21	1
22	13	22	1
23	14	23	1
24	15	24	1
25	16	25	1
26	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1