@<TRIPOS>MOLECULE
DB07028
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.9080    -2.0885    -1.2315	Br	1	noname	-0.0507
2	C1    -0.0906    -0.4488    -0.9118	C.2	1	noname	-0.0065
3	C2     0.6595    -0.2402     0.2762	C.2	1	noname	0.0192
4	C3    -0.2291     0.5527    -1.9119	C.2	1	noname	-0.0358
5	C4     1.2943     1.0238     0.4231	C.2	1	noname	0.0392
6	C5     0.4095     1.8132    -1.7747	C.2	1	noname	-0.0283
7	F1     1.9532     1.2074     1.5345	F	1	noname	-0.1625
8	C6     1.1593     2.0173    -0.5966	C.2	1	noname	0.0064
9	C7     1.7700     3.3325    -0.4851	C.3	1	noname	0.0310
10	N1     0.9673     4.2154     0.3090	N.3	1	noname	-0.0726
11	C8     1.3224     5.4912     0.6665	C.2	1	noname	0.0226
12	O1     2.4558     5.8380     0.3303	O.2	1	noname	-0.2934
13	C9     0.4898     6.4066     1.3601	C.2	1	noname	0.0183
14	C10     0.8763     7.7772     1.7028	C.2	1	noname	0.0483
15	C11    -0.8119     5.9055     1.7035	C.2	1	noname	-0.0005
16	O2     1.9850     8.6126     1.5494	O.3	1	noname	-0.2583
17	C12    -0.0455     8.6013     2.3823	C.2	1	noname	0.0154
18	C13    -1.7092     6.7520     2.3798	C.2	1	noname	-0.0256
19	C14     3.2608     8.3952     0.9429	C.3	1	noname	0.1390
20	C15    -1.3132     8.0753     2.7078	C.2	1	noname	0.0099
21	C16     4.0652     9.6087     1.0532	C.2	1	noname	0.1487
22	Cl1    -2.3539     9.1135     3.5225	Cl	1	noname	-0.0786
23	O3     4.4773    10.1813     0.0214	O.2	1	noname	-0.2461
24	O4     4.3639    10.1122     2.2697	O.3	1	noname	-0.2113
25	H1     0.7441    -1.0139     1.0394	H	1	noname	0.0665
26	H2    -0.8335     0.3511    -2.7963	H	1	noname	0.0634
27	H3     0.3280     2.5874    -2.5377	H	1	noname	0.0627
28	H4     2.7031     3.1979     0.0620	H	1	noname	0.0484
29	H5     1.7832     3.7566    -1.4891	H	1	noname	0.0484
30	H6     0.0666     3.9096     0.6486	H	1	noname	0.1317
31	H7    -1.1167     4.8895     1.4527	H	1	noname	0.0632
32	H8     0.2168     9.6247     2.6505	H	1	noname	0.0666
33	H9    -2.7007     6.3864     2.6468	H	1	noname	0.0638
34	H10     3.7565     7.6262     1.5353	H	1	noname	0.0682
35	H11     3.0732     8.2295    -0.1180	H	1	noname	0.0682
36	H12     4.5152     9.3918     2.8858	H	1	noname	0.2213
@<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	1
7	5	8	2
8	6	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	14	17	1
18	15	18	2
19	16	19	1
20	17	20	2
21	18	20	1
22	19	21	1
23	20	22	1
24	21	23	2
25	21	24	1
26	3	25	1
27	4	26	1
28	6	27	1
29	9	28	1
30	9	29	1
31	10	30	1
32	15	31	1
33	17	32	1
34	18	33	1
35	19	34	1
36	19	35	1
37	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1