@<TRIPOS>MOLECULE
BindingDB_50292721
 74 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -9.1586   56.0016    7.5444  C     
2    C        -8.7794   54.7003    7.0078  C     
3    C        -9.7112   53.9059    6.4397  C     
4    N        -9.3985   52.6979    5.8751  N     
5    C        -8.1125   52.2901    5.9075  C     
6    O        -7.7240   51.2191    5.4561  O     
7    N        -7.1870   53.0513    6.4817  N     
8    C        -7.4888   54.2214    7.0348  C     
9    O        -6.5621   54.8346    7.5459  O     
10   C       -10.4641   51.8188    5.4130  C     
11   C       -11.0714   51.0129    6.5854  C     
12   C       -12.6052   51.1698    6.4414  C     
13   C       -12.7374   51.7383    5.0073  C     
14   O       -11.5553   52.5228    4.8004  O     
15   C       -13.9789   52.6233    4.7326  C     
16   O       -13.6287   54.0180    4.8094  O     
17   P       -13.9901   54.9462    3.5973  P     
18   O       -15.2494   54.5572    3.0041  O     
19   O       -14.1675   56.3774    4.1460  O     
20   O       -12.9024   55.0254    2.4993  O     
21   O       -13.4045   49.9640    6.6181  O     
22   P       -13.3840   49.2606    8.0193  P     
23   O       -12.9768   50.0773    9.1399  O     
24   O       -14.6614   48.4301    8.3327  O     
25   P       -15.8424   49.2379    8.9455  P     
26   O       -16.5556   48.3634    9.8393  O     
27   O       -15.3268   50.3597    9.8860  O     
28   O       -16.7838   49.8958    7.8911  O     
29   C       -17.6768   49.0725    7.1111  C     
30   C       -17.1638   48.7012    5.6954  C     
31   C       -18.2947   48.2647    4.7119  C     
32   C       -17.5717   47.1857    3.8894  C     
33   C       -16.5285   46.5879    4.8607  C     
34   O       -16.2097   47.6299    5.7933  O     
35   N       -16.8556   45.3963    5.6048  N     
36   C       -15.9996   44.8185    6.4793  C     
37   N       -16.5333   43.7204    7.0357  N     
38   C       -17.7578   43.5993    6.5153  C     
39   C       -17.9748   44.6432    5.6235  C     
40   N       -19.1688   44.7433    4.9850  N     
41   C       -20.1573   43.8342    5.2015  C     
42   N       -19.9562   42.8084    6.0717  N     
43   C       -18.7823   42.6615    6.7436  C     
44   N       -18.6280   41.6491    7.6153  N     
45   O       -16.8962   47.7668    2.7756  O     
46   O       -18.9092   49.1726    3.7708  O     
47   P       -19.0171   50.7176    4.0017  P     
48   O       -20.3243   51.1023    3.5290  O     
49   O       -18.9497   51.1718    5.4743  O     
50   O       -18.0195   51.4642    3.0816  O     
51   O       -12.2727   48.1945    7.9444  O     
52   H        -8.3220   56.5250    8.0126  H     
53   H        -9.9309   55.8806    8.3058  H     
54   H        -9.5441   56.6350    6.7374  H     
55   H       -10.6599   54.2127    6.4398  H     
56   H        -6.2640   52.7437    6.5067  H     
57   H       -10.1043   51.1186    4.6537  H     
58   H       -10.7556   49.9658    6.5388  H     
59   H       -10.7584   51.4145    7.5598  H     
60   H       -12.9607   51.9300    7.1489  H     
61   H       -12.7490   50.9079    4.3002  H     
62   H       -14.4100   52.3192    3.7719  H     
63   H       -14.7283   52.4372    5.4979  H     
64   H       -17.9975   48.1686    7.6359  H     
65   H       -18.5705   49.6777    6.9918  H     
66   H       -16.6261   49.5573    5.2887  H     
67   H       -19.1013   47.7953    5.2752  H     
68   H       -18.2614   46.4369    3.5003  H     
69   H       -15.6263   46.3615    4.2821  H     
70   H       -15.0574   45.1513    6.6930  H     
71   H       -21.0468   43.9254    4.7115  H     
72   H       -19.3451   41.0090    7.7510  H     
73   H       -17.7937   41.5506    8.0984  H     
74   H       -17.6056   48.0852    2.1710  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 2
     3    2    8 1
     4    3    4 1
     5    4    5 1
     6   10    4 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 2
    11   10   11 1
    12   10   14 1
    13   11   12 1
    14   12   13 1
    15   12   21 1
    16   13   14 1
    17   13   15 1
    18   15   16 1
    19   16   17 1
    20   17   18 2
    21   17   19 1
    22   17   20 1
    23   21   22 1
    24   22   23 2
    25   22   24 1
    26   22   51 1
    27   24   25 1
    28   25   26 2
    29   25   27 1
    30   25   28 1
    31   28   29 1
    32   30   29 1
    33   30   31 1
    34   30   34 1
    35   31   32 1
    36   31   46 1
    37   32   33 1
    38   32   45 1
    39   33   34 1
    40   33   35 1
    41   35   36 1
    42   35   39 1
    43   36   37 2
    44   37   38 1
    45   38   39 2
    46   38   43 1
    47   39   40 1
    48   40   41 2
    49   41   42 1
    50   42   43 2
    51   43   44 1
    52   46   47 1
    53   47   48 2
    54   47   49 1
    55   47   50 1
    56    1   52 1
    57    1   53 1
    58    1   54 1
    59    3   55 1
    60    7   56 1
    61   10   57 1
    62   11   58 1
    63   11   59 1
    64   12   60 1
    65   13   61 1
    66   15   62 1
    67   15   63 1
    68   29   64 1
    69   29   65 1
    70   30   66 1
    71   31   67 1
    72   32   68 1
    73   33   69 1
    74   36   70 1
    75   41   71 1
    76   44   72 1
    77   44   73 1
    78   45   74 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4370
  Crash		| -2.2845
  Polar		| 8.1375
  FragIndex	| 1
  FragRMSD	| 0.571