@<TRIPOS>MOLECULE
BindingDB_15651
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.6408   32.7498   58.8644  C     
2    C         7.3224   34.5154   59.3690  C     
3    C         8.6244   35.0556   59.6228  C     
4    N         7.3070   33.2511   58.9730  N     
5    C         6.1028   32.4917   58.6417  C     
6    C         6.2776   30.0069   59.5439  C     
7    C         6.1001   29.4890   58.0975  C     
8    C         6.7149   30.4738   57.0764  C     
9    C         6.0875   31.8878   57.2010  C     
10   C         5.7119   31.4411   59.7320  C     
11   O         6.3379   35.2334   59.4801  O     
12   C         9.5613   33.8362   59.4842  C     
13   C        10.1930   33.4279   60.7387  C     
14   O         9.5277   32.7871   61.5461  O     
15   N        11.4514   33.7763   61.0052  N     
16   C        12.2565   33.3540   62.0308  C     
17   C        14.2199   33.7951   63.4325  C     
18   C        13.3061   34.2057   62.4441  C     
19   C        12.1635   32.0654   62.6081  C     
20   C        13.0849   31.6464   63.5874  C     
21   C        14.1039   32.5148   64.0103  C     
22   Br       12.9785   29.9198   64.2685  Br    
23   H         8.7492   31.7943   59.3782  H     
24   H         8.8931   32.6029   57.8116  H     
25   H         8.8559   35.8186   58.8742  H     
26   H         8.6644   35.5142   60.6153  H     
27   H         5.2639   33.1986   58.6358  H     
28   H         5.7565   29.3305   60.2259  H     
29   H         7.3328   29.9724   59.8191  H     
30   H         6.5912   28.5145   58.0021  H     
31   H         5.0373   29.3517   57.8842  H     
32   H         7.7941   30.5265   57.2299  H     
33   H         6.5440   30.0901   56.0650  H     
34   H         5.0496   31.8132   56.8595  H     
35   H         6.6007   32.5677   56.5122  H     
36   H         6.0089   31.8096   60.7175  H     
37   H         4.6211   31.3516   59.7496  H     
38   H        10.3429   34.0819   58.7567  H     
39   H        11.8590   34.4118   60.3907  H     
40   H        14.9702   34.4213   63.7256  H     
41   H        13.4102   35.1369   62.0321  H     
42   H        11.4571   31.4010   62.2851  H     
43   H        14.7773   32.2145   64.7178  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   20   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   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9579
  Crash		| -0.7156
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.142