@<TRIPOS>MOLECULE
DB06742
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.7193     2.8419    -2.9714	Br	1	noname	-0.0490
2	C1     0.1316     1.8575    -1.6465	C.2	1	noname	-0.0252
3	C2     1.5548     1.8884    -1.5140	C.2	1	noname	-0.0003
4	C3    -0.6264     1.0482    -0.7321	C.2	1	noname	-0.0137
5	N1     2.3036     2.6324    -2.3394	N.3	1	noname	-0.1456
6	C4     2.1616     1.1070    -0.4801	C.2	1	noname	-0.0423
7	C5    -0.0062     0.2762     0.3093	C.2	1	noname	-0.0471
8	C6     1.4084     0.3103     0.4311	C.2	1	noname	-0.0285
9	C7     3.6095     1.0462    -0.2938	C.3	1	noname	0.0225
10	Br2    -1.0331    -0.7450     1.4716	Br	1	noname	-0.0507
11	N2     4.0218     2.2698     0.4107	N.3	1	noname	-0.3098
12	C8     5.4697     2.3177     0.6709	C.3	1	noname	0.0073
13	C9     6.3869     2.3500    -0.6259	C.3	1	noname	-0.0353
14	C10     5.6051     3.5277     1.6462	C.3	1	noname	-0.0353
15	C11     7.5465     3.3894    -0.6538	C.3	1	noname	-0.0255
16	C12     6.0437     4.8760     1.0080	C.3	1	noname	-0.0255
17	C13     7.2006     4.7737    -0.0348	C.3	1	noname	0.0542
18	O1     8.3770     5.3584     0.5044	O.3	1	noname	-0.3930
19	H1    -1.7115     1.0187    -0.8322	H	1	noname	0.0646
20	H2     3.2023     2.2922    -2.6505	H	1	noname	0.1243
21	H3     1.9694     3.5333    -2.6505	H	1	noname	0.1243
22	H4     1.9075    -0.2651     1.2108	H	1	noname	0.0638
23	H5     3.8110     0.2065     0.3714	H	1	noname	0.0479
24	H6     4.0608     1.0763    -1.2855	H	1	noname	0.0479
25	H7     3.3795     2.9989     0.6863	H	1	noname	0.1228
26	H8     5.7806     1.3785     1.1283	H	1	noname	0.0464
27	H9     6.8842     1.3806    -0.6551	H	1	noname	0.0283
28	H10     5.7281     2.6494    -1.4411	H	1	noname	0.0283
29	H11     4.6000     3.7048     2.0289	H	1	noname	0.0283
30	H12     6.4095     3.2590     2.3308	H	1	noname	0.0283
31	H13     8.3296     2.9729    -0.0203	H	1	noname	0.0293
32	H14     7.7434     3.5814    -1.7086	H	1	noname	0.0293
33	H15     5.1764     5.2291     0.4501	H	1	noname	0.0293
34	H16     6.4418     5.4707     1.8302	H	1	noname	0.0293
35	H17     6.8804     5.3848    -0.8787	H	1	noname	0.0600
36	H18     8.3343     5.3371     1.4632	H	1	noname	0.2104
@<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	7	8	1
11	9	11	1
12	12	11	1
13	12	13	1
14	12	14	1
15	13	15	1
16	14	16	1
17	15	17	1
18	16	17	1
19	17	18	1
20	4	19	1
21	5	20	1
22	5	21	1
23	8	22	1
24	9	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	16	33	1
35	16	34	1
36	17	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1