@<TRIPOS>MOLECULE
BindingDB_50142331
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -0.7043   70.8961   71.0053  N     
2    N        -0.9937   69.8055   70.4026  N     
3    C         0.1448   71.9435   70.4422  C     
4    P        -6.1195   74.3534   65.8398  P     
5    C        -5.1438   73.0435   66.1935  C     
6    N        -1.7521   69.0358   71.0625  N     
7    C        -1.3282   70.8508   72.2083  C     
8    C        -2.0061   69.6333   72.2274  C     
9    C        -4.0746   73.1756   67.2480  C     
10   C         0.8569   71.4938   69.0997  C     
11   C        -0.7733   73.2040   70.1445  C     
12   O        -5.3487   75.5630   65.6718  O     
13   C         1.2610   72.2097   71.4491  C     
14   F        -4.5217   72.6757   65.0170  F     
15   F        -6.0013   72.0258   66.5571  F     
16   O        -6.9441   74.1023   64.5519  O     
17   O        -7.1100   74.5915   67.0027  O     
18   C        -3.0686   74.1779   67.2429  C     
19   C        -4.0208   72.2112   68.2905  C     
20   C        -1.9493   73.1742   69.2072  C     
21   C         1.4919   72.5678   68.2683  C     
22   C         2.7061   74.5569   66.6543  C     
23   C        -2.0341   74.1776   68.2064  C     
24   C        -2.9925   72.2100   69.2569  C     
25   Br        3.5161   75.8445   65.5773  Br    
26   C        -1.3971   71.6990   73.3317  C     
27   C         2.7962   73.0437   68.5665  C     
28   C         0.8228   73.0900   67.1382  C     
29   C         1.4238   74.0760   66.3340  C     
30   C         3.3980   74.0300   67.7596  C     
31   C        -2.7877   69.2260   73.3248  C     
32   C         1.5684   73.5104   71.9486  C     
33   C         2.0890   71.1320   71.8927  C     
34   C        -2.1572   71.3028   74.4572  C     
35   C        -2.8681   70.0819   74.4441  C     
36   C         3.1722   71.3459   72.7758  C     
37   C         2.6427   73.7212   72.8429  C     
38   C         3.4522   72.6430   73.2497  C     
39   H         1.6188   70.7357   69.3062  H     
40   H         0.1454   70.9586   68.4699  H     
41   H        -1.1745   73.5701   71.0849  H     
42   H        -0.0967   73.9856   69.7893  H     
43   H        -3.0605   74.9172   66.5315  H     
44   H        -4.7426   71.4801   68.3440  H     
45   H        -1.3140   74.9128   68.1443  H     
46   H        -3.0030   71.4836   69.9842  H     
47   H        -0.8809   72.5820   73.3592  H     
48   H         3.3216   72.6670   69.3613  H     
49   H        -0.1097   72.7527   66.8907  H     
50   H         0.9241   74.4465   65.5241  H     
51   H         4.3371   74.3606   67.9834  H     
52   H        -3.2810   68.3276   73.3114  H     
53   H         1.0071   74.3240   71.6566  H     
54   H         1.9084   70.1700   71.5717  H     
55   H        -2.2161   71.9162   75.2716  H     
56   H        -3.4105   69.8003   75.2624  H     
57   H         3.7586   70.5516   73.0705  H     
58   H         2.8450   74.6654   73.1905  H     
59   H         4.2425   72.7982   73.8878  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1    7 1
     4    2    6 2
     5    3   10 1
     6    3   11 1
     7    3   13 1
     8    4    5 1
     9    4   12 2
    10    4   16 1
    11    4   17 1
    12    5    9 1
    13    5   14 1
    14    5   15 1
    15    6    8 1
    16    7    8 2
    17    7   26 1
    18    8   31 1
    19    9   18 1
    20    9   19 2
    21   10   21 1
    22   11   20 1
    23   13   32 1
    24   13   33 2
    25   18   23 2
    26   19   24 1
    27   20   23 1
    28   20   24 2
    29   21   27 1
    30   21   28 2
    31   22   25 1
    32   22   29 2
    33   22   30 1
    34   26   34 2
    35   27   30 2
    36   28   29 1
    37   31   35 2
    38   32   37 2
    39   33   36 1
    40   34   35 1
    41   36   38 2
    42   37   38 1
    43   10   39 1
    44   10   40 1
    45   11   41 1
    46   11   42 1
    47   18   43 1
    48   19   44 1
    49   23   45 1
    50   24   46 1
    51   26   47 1
    52   27   48 1
    53   28   49 1
    54   29   50 1
    55   30   51 1
    56   31   52 1
    57   32   53 1
    58   33   54 1
    59   34   55 1
    60   35   56 1
    61   36   57 1
    62   37   58 1
    63   38   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3111
  Crash		| -0.9204
  Polar		| 2.6990
  FragIndex	| 1
  FragRMSD	| 0.190