@<TRIPOS>MOLECULE
15954
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.1190    -1.4304    -2.1019	Br	1	noname	-0.0272
2	C1     0.5261    -0.3484    -0.6487	C.2	1	noname	0.0757
3	N1     1.7617     0.2851    -0.5666	N.2	1	noname	-0.2315
4	C2    -0.4288    -0.1555     0.4024	C.2	1	noname	0.0334
5	C3     2.1359     1.1086     0.4897	C.2	1	noname	0.0469
6	C4    -1.5862    -0.7281     0.3596	C.1	1	noname	0.0784
7	C5    -0.0651     0.6927     1.5074	C.2	1	noname	0.0370
8	N2     3.3452     1.6859     0.5002	N.3	1	noname	-0.1109
9	C6     1.2164     1.3355     1.5692	C.2	1	noname	0.0006
10	N3    -2.6146    -1.2369     0.3215	N.1	1	noname	-0.1794
11	N4    -0.9433     0.8864     2.5008	N.3	1	noname	-0.1398
12	C7     3.9490     1.9971    -0.6548	C.2	1	noname	0.1373
13	O1     3.3844     1.7490    -1.7420	O.2	1	noname	-0.2732
14	C8     5.2666     2.6261    -0.6433	C.3	1	noname	0.0494
15	C9     5.7049     2.8626    -2.0157	C.2	1	noname	-0.0104
16	C10     6.9380     3.4563    -2.2589	C.2	1	noname	-0.0052
17	C11     4.8891     2.4942    -3.0791	C.2	1	noname	-0.0134
18	O2     7.7303     3.8142    -1.2261	O.3	1	noname	-0.2777
19	C12     7.3553     3.6815    -3.5655	C.2	1	noname	-0.0184
20	C13     5.3064     2.7194    -4.3857	C.2	1	noname	-0.0102
21	C14     8.5849     2.7318    -0.8880	C.3	1	noname	0.0423
22	C15     6.5395     3.3130    -4.6289	C.2	1	noname	-0.0198
23	O3     4.5141     2.3615    -5.4185	O.3	1	noname	-0.2792
24	C16     3.6595     3.4439    -5.7567	C.3	1	noname	0.0423
25	H1     3.8014     1.8863     1.3787	H	1	noname	0.1386
26	H2     1.4829     1.9760     2.4098	H	1	noname	0.0673
27	H3    -0.6189     0.9594     3.4545	H	1	noname	0.1243
28	H4    -1.9296     0.9594     2.2958	H	1	noname	0.1243
29	H5     5.1441     3.6047    -0.1790	H	1	noname	0.0412
30	H6     5.9575     1.9013    -0.2128	H	1	noname	0.0412
31	H7     3.9222     2.0286    -2.8884	H	1	noname	0.0654
32	H8     8.3222     4.1471    -3.7563	H	1	noname	0.0651
33	H9     8.6519     2.6469     0.1967	H	1	noname	0.0535
34	H10     8.1809     1.8073    -1.3005	H	1	noname	0.0535
35	H11     9.5779     2.9103    -1.3005	H	1	noname	0.0535
36	H12     6.8667     3.4896    -5.6536	H	1	noname	0.0651
37	H13     3.2891     3.9129    -4.8451	H	1	noname	0.0535
38	H14     4.2151     4.1763    -6.3423	H	1	noname	0.0535
39	H15     2.8181     3.0733    -6.3423	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	2
9	6	10	3
10	7	11	1
11	7	9	1
12	8	12	1
13	12	13	2
14	12	14	1
15	14	15	1
16	15	16	2
17	15	17	1
18	16	18	1
19	16	19	1
20	17	20	2
21	18	21	1
22	19	22	2
23	20	23	1
24	20	22	1
25	23	24	1
26	8	25	1
27	9	26	1
28	11	27	1
29	11	28	1
30	14	29	1
31	14	30	1
32	17	31	1
33	19	32	1
34	21	33	1
35	21	34	1
36	21	35	1
37	22	36	1
38	24	37	1
39	24	38	1
40	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1