@<TRIPOS>MOLECULE
DB07210
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.9047    -1.9334     2.8057	Br	1	noname	-0.0452
2	C1     0.8548    -1.2875     1.0654	C.2	1	noname	0.0739
3	C2    -0.0572    -0.4302     0.4872	C.2	1	noname	0.0478
4	C3     1.7291    -1.5460     0.0126	C.2	1	noname	0.0562
5	N1    -1.1140     0.2397     1.0052	N.2	1	noname	-0.2505
6	N2     0.2592    -0.2460    -0.7984	N.3	1	noname	-0.0686
7	N3     1.3238    -0.9029    -1.0968	N.2	1	noname	-0.2967
8	C4    -1.8454     1.1440     0.2616	C.2	1	noname	0.0526
9	C5    -0.4879     0.5436    -1.6085	C.2	1	noname	-0.0148
10	C6    -2.8716     1.9220     0.8671	C.2	1	noname	-0.0294
11	C7    -1.5324     1.3225    -1.1094	C.2	1	noname	-0.0148
12	N4    -0.3069     0.5690    -2.9041	N.3	1	noname	-0.1138
13	C8    -2.7356     2.2906     2.2533	C.2	1	noname	-0.0315
14	C9    -4.0309     2.3640     0.1204	C.2	1	noname	-0.0315
15	C10    -0.9625    -0.3896    -3.7307	C.3	1	noname	0.0264
16	C11    -3.7334     3.0837     2.8894	C.2	1	noname	-0.0527
17	C12    -5.0336     3.1663     0.7257	C.2	1	noname	-0.0527
18	C13    -0.6541    -0.2829    -5.1490	C.2	1	noname	-0.0284
19	C14    -4.8504     3.4987     2.1000	C.2	1	noname	-0.0491
20	C15    -1.3350    -1.2216    -5.9878	C.2	1	noname	-0.0181
21	C16     0.2829     0.7004    -5.6205	C.2	1	noname	-0.0181
22	C17    -1.0418    -1.1535    -7.3731	C.2	1	noname	-0.0006
23	C18     0.5463     0.7344    -7.0061	C.2	1	noname	-0.0006
24	N5    -0.1321    -0.1903    -7.7702	N.2	1	noname	-0.2538
25	H1     2.6195    -2.1735     0.0521	H	1	noname	0.0869
26	H2    -2.0684     2.0242    -1.7484	H	1	noname	0.0676
27	H3     0.3081     1.2923    -3.2487	H	1	noname	0.1298
28	H4    -1.8679     1.9657     2.8273	H	1	noname	0.0629
29	H5    -4.1521     2.0852    -0.9263	H	1	noname	0.0629
30	H6    -0.5754    -1.3568    -3.4102	H	1	noname	0.0482
31	H7    -2.0259    -0.1697    -3.6363	H	1	noname	0.0482
32	H8    -3.6454     3.3623     3.9395	H	1	noname	0.0622
33	H9    -5.9015     3.5101     0.1630	H	1	noname	0.0622
34	H10    -5.6150     4.1106     2.5787	H	1	noname	0.0622
35	H11    -2.0411    -1.9515    -5.5917	H	1	noname	0.0642
36	H12     0.7790     1.3996    -4.9473	H	1	noname	0.0642
37	H13    -1.4993    -1.8177    -8.1063	H	1	noname	0.0839
38	H14     1.2397     1.4400    -7.4637	H	1	noname	0.0839
@<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	2
8	6	9	1
9	6	7	1
10	8	10	1
11	8	11	1
12	9	12	1
13	9	11	2
14	10	13	2
15	10	14	1
16	12	15	1
17	13	16	1
18	14	17	2
19	15	18	1
20	16	19	2
21	17	19	1
22	18	20	2
23	18	21	1
24	20	22	1
25	21	23	2
26	22	24	2
27	23	24	1
28	4	25	1
29	11	26	1
30	12	27	1
31	13	28	1
32	14	29	1
33	15	30	1
34	15	31	1
35	16	32	1
36	17	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	22	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1