@<TRIPOS>MOLECULE
BindingDB_15652
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.6294   32.5906   60.0212  C     
2    C         7.2225   34.2317   59.4371  C     
3    C         8.4485   34.9500   59.6499  C     
4    N         7.3141   32.9147   59.5614  N     
5    C         6.1799   31.9865   59.6527  C     
6    C         7.0302   29.8565   58.4098  C     
7    C         5.9605   30.0360   57.3059  C     
8    C         5.5420   31.5210   57.1702  C     
9    C         5.0947   32.1143   58.5324  C     
10   C         6.5490   30.4637   59.7574  C     
11   O         6.1771   34.8599   59.3055  O     
12   C         9.5079   33.8280   59.7098  C     
13   C        10.6434   34.0821   60.5907  C     
14   O        11.0787   35.2252   60.6414  O     
15   N        11.2349   33.0879   61.2463  N     
16   C        12.3168   33.1301   62.0808  C     
17   C        14.5078   33.9705   62.8001  C     
18   C        13.4243   34.0044   61.9102  C     
19   C        12.3551   32.2020   63.1441  C     
20   C        13.4393   32.1706   64.0378  C     
21   C        14.5161   33.0642   63.8745  C     
22   Br       15.9250   33.0737   65.0883  Br    
23   H         8.5854   32.4008   61.0988  H     
24   H         9.0512   31.7220   59.5184  H     
25   H         8.6474   35.6430   58.8269  H     
26   H         8.3770   35.5099   60.5862  H     
27   H         5.6815   32.2389   60.5969  H     
28   H         7.2390   28.7912   58.5348  H     
29   H         7.9546   30.3398   58.0850  H     
30   H         6.3674   29.6922   56.3521  H     
31   H         5.0820   29.4270   57.5442  H     
32   H         6.3817   32.1061   56.7819  H     
33   H         4.7124   31.5992   56.4602  H     
34   H         4.1902   31.5965   58.8610  H     
35   H         4.7986   33.1517   58.3881  H     
36   H         7.3088   30.2934   60.5223  H     
37   H         5.6567   29.9069   60.0746  H     
38   H         9.9163   33.7106   58.6998  H     
39   H        10.8091   32.2193   61.1677  H     
40   H        15.2996   34.6037   62.6604  H     
41   H        13.4598   34.6511   61.1230  H     
42   H        11.5758   31.5519   63.2885  H     
43   H        13.4432   31.5056   64.8145  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6675
  Crash		| -1.0469
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.442