@<TRIPOS>MOLECULE
DB02773
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.6406    -1.2459     0.5167	Cl	1	noname	-0.0704
2	C1     0.1468     0.1784     0.0724	C.2	1	noname	0.0157
3	C2     1.4759     0.1404    -0.3327	C.2	1	noname	0.0303
4	C3    -0.5335     1.3899     0.1114	C.2	1	noname	-0.0131
5	O1     2.1367    -1.0363    -0.3706	O.3	1	noname	-0.2671
6	C4     2.1248     1.3139    -0.6988	C.2	1	noname	-0.0197
7	C5     0.1153     2.5634    -0.2547	C.2	1	noname	-0.0528
8	C6     2.7598    -1.2698     0.8838	C.3	1	noname	0.0532
9	C7     1.4444     2.5254    -0.6598	C.2	1	noname	-0.0433
10	C8    -0.5993     3.8359    -0.2138	C.3	1	noname	0.0587
11	C9     3.5087    -2.6033     0.8409	C.3	1	noname	-0.0319
12	C10    -0.4350     4.4442     1.1033	C.2	1	noname	0.1371
13	C11     4.1801    -2.8549     2.1925	C.3	1	noname	-0.0632
14	O2    -1.4374     4.6830     1.8109	O.2	1	noname	-0.2544
15	O3     0.7995     4.7486     1.5569	O.3	1	noname	-0.2177
16	H1    -1.5758     1.4197     0.4290	H	1	noname	0.0642
17	H2     3.1670     1.2841    -1.0164	H	1	noname	0.0650
18	H3     3.4952    -0.4731     0.9960	H	1	noname	0.0571
19	H4     1.9441    -1.3635     1.6008	H	1	noname	0.0571
20	H5     1.9532     3.4456    -0.9469	H	1	noname	0.0626
21	H6    -0.1079     4.4959    -0.9287	H	1	noname	0.0422
22	H7    -1.6589     3.6054    -0.3239	H	1	noname	0.0422
23	H8     2.7570    -3.3823     0.7131	H	1	noname	0.0287
24	H9     4.3081    -2.4918     0.1084	H	1	noname	0.0287
25	H10     4.2643    -3.9283     2.3621	H	1	noname	0.0231
26	H11     5.1742    -2.4078     2.1932	H	1	noname	0.0231
27	H12     3.5800    -2.4078     2.9851	H	1	noname	0.0231
28	H13     0.7969     4.7480     2.5169	H	1	noname	0.2213
@<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	6	9	2
9	7	10	1
10	7	9	1
11	8	11	1
12	10	12	1
13	11	13	1
14	12	14	2
15	12	15	1
16	4	16	1
17	6	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	10	22	1
23	11	23	1
24	11	24	1
25	13	25	1
26	13	26	1
27	13	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
