@<TRIPOS>MOLECULE
DB00835
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.6215    -1.0111    -2.5875	Br	1	noname	-0.0508
2	C1     0.2052     0.4615    -1.8152	C.2	1	noname	-0.0239
3	C2     0.8579     0.2768    -0.5591	C.2	1	noname	-0.0343
4	C3     0.1458     1.7085    -2.5201	C.2	1	noname	-0.0343
5	C4     1.5061     1.4128    -0.0011	C.2	1	noname	-0.0469
6	C5     0.8145     2.8384    -1.9437	C.2	1	noname	-0.0469
7	C6     1.5187     2.6856    -0.6933	C.2	1	noname	-0.0490
8	C7     2.1772     3.8917    -0.0740	C.3	1	noname	0.0647
9	C8     1.1879     4.6004     0.7885	C.2	1	noname	0.0037
10	C9     3.5599     3.7046     0.6586	C.3	1	noname	-0.0279
11	N1     0.8255     5.9054     0.4828	N.2	1	noname	-0.2557
12	C10     0.5884     3.9501     1.9179	C.2	1	noname	-0.0274
13	C11     4.5929     3.1637    -0.3320	C.3	1	noname	-0.0014
14	C12    -0.0647     6.6683     1.2143	C.2	1	noname	-0.0046
15	C13    -0.3318     4.6960     2.6928	C.2	1	noname	-0.0429
16	N2     5.8756     2.9902     0.3477	N.3	1	noname	-0.3092
17	C14    -0.6454     6.0417     2.3487	C.2	1	noname	-0.0338
18	C15     6.8627     2.4733    -0.5988	C.3	1	noname	-0.0136
19	C16     5.7180     2.0452     1.4521	C.3	1	noname	-0.0136
20	H1     0.8613    -0.6869    -0.0498	H	1	noname	0.0634
21	H2    -0.3911     1.7948    -3.4647	H	1	noname	0.0634
22	H3     1.9977     1.3070     0.9660	H	1	noname	0.0626
23	H4     0.7878     3.8029    -2.4506	H	1	noname	0.0626
24	H5     2.4140     4.5027    -0.9450	H	1	noname	0.0418
25	H6     3.9076     4.6951     0.9519	H	1	noname	0.0290
26	H7     3.4246     2.9291     1.4126	H	1	noname	0.0290
27	H8     0.8253     2.9188     2.1797	H	1	noname	0.0641
28	H9     4.2726     2.1649    -0.6283	H	1	noname	0.0430
29	H10     4.7556     3.9309    -1.0890	H	1	noname	0.0430
30	H11    -0.2926     7.6920     0.9175	H	1	noname	0.0839
31	H12    -0.8017     4.2313     3.5597	H	1	noname	0.0623
32	H13    -1.3450     6.6043     2.9669	H	1	noname	0.0638
33	H14     7.6974     2.0363    -0.0509	H	1	noname	0.0394
34	H15     6.4004     1.7108    -1.2257	H	1	noname	0.0394
35	H16     7.2261     3.2877    -1.2257	H	1	noname	0.0394
36	H17     5.7727     1.0262     1.0690	H	1	noname	0.0394
37	H18     6.5130     2.2024     2.1810	H	1	noname	0.0394
38	H19     4.7509     2.2024     1.9296	H	1	noname	0.0394
@<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	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	10	13	1
14	11	14	1
15	12	15	2
16	13	16	1
17	14	17	2
18	15	17	1
19	16	18	1
20	16	19	1
21	3	20	1
22	4	21	1
23	5	22	1
24	6	23	1
25	8	24	1
26	10	25	1
27	10	26	1
28	12	27	1
29	13	28	1
30	13	29	1
31	14	30	1
32	15	31	1
33	17	32	1
34	18	33	1
35	18	34	1
36	18	35	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1