@<TRIPOS>MOLECULE
BindingDB_13599
 72 77 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.8554   50.3779   55.8129  C     
2    C        39.1285   49.9255   55.4349  C     
3    C        39.2602   48.7605   54.6549  C     
4    C        38.1216   48.0103   54.2149  C     
5    C        36.8505   48.4900   54.6321  C     
6    C        36.7151   49.6558   55.4111  C     
7    C        37.0810   45.8189   53.1520  C     
8    C        37.1053   44.5686   52.3106  C     
9    C        36.0135   44.2754   51.4418  C     
10   C        35.9481   43.0642   50.7219  C     
11   C        36.9764   42.0905   50.8328  C     
12   C        38.0646   42.3855   51.6962  C     
13   C        38.1150   43.5815   52.4366  C     
14   C        36.9365   40.8609   50.0988  C     
15   C        36.4154   40.8234   48.7810  C     
16   C        36.4663   39.6451   48.0176  C     
17   C        37.0394   38.4773   48.5507  C     
18   C        37.5519   38.4689   49.8697  C     
19   C        37.4817   39.6600   50.6335  C     
20   C        38.3406   46.7912   53.3133  C     
21   C        38.7290   47.3384   51.8771  C     
22   C        37.6610   48.0213   51.0823  C     
23   C        37.3335   49.3771   51.3075  C     
24   C        36.3261   50.0108   50.5544  C     
25   C        35.6119   49.3123   49.5519  C     
26   C        35.9724   47.9636   49.3050  C     
27   C        36.9826   47.3329   50.0520  C     
28   C        34.5099   49.9587   48.7649  C     
29   F        33.4088   49.1344   48.7087  F     
30   F        34.0481   51.1216   49.3427  F     
31   P        34.9784   50.3212   47.2088  P     
32   O        33.9147   50.9352   46.4584  O     
33   O        36.1642   51.2979   47.1547  O     
34   O        35.4215   49.0862   46.4063  O     
35   N        39.4365   46.0242   53.9134  N     
36   N        40.5162   45.6872   53.2872  N     
37   N        41.3041   44.9743   53.9706  N     
38   C        40.7515   44.8139   55.1727  C     
39   C        39.5508   45.5169   55.1636  C     
40   C        39.1827   44.8438   57.4735  C     
41   C        38.7596   45.5548   56.3310  C     
42   C        41.1983   44.1022   56.2991  C     
43   C        40.3966   44.1203   57.4596  C     
44   P        38.2116   37.1273   50.4525  P     
45   O        39.5528   36.9735   49.9482  O     
46   O        38.2829   37.0680   51.9937  O     
47   O        37.3909   35.9086   49.9818  O     
48   H        37.7509   51.2302   56.3709  H     
49   H        39.9652   50.4410   55.7324  H     
50   H        40.2052   48.4548   54.4019  H     
51   H        35.9842   48.0244   54.3616  H     
52   H        35.7836   49.9906   55.6732  H     
53   H        36.2662   46.4314   52.7719  H     
54   H        36.7544   45.5036   54.1399  H     
55   H        35.2317   44.9412   51.3509  H     
56   H        35.1237   42.8838   50.1358  H     
57   H        38.8326   41.7129   51.7996  H     
58   H        38.8820   43.6985   53.0843  H     
59   H        36.0240   41.6685   48.3512  H     
60   H        36.1096   39.6378   47.0602  H     
61   H        37.0940   37.6466   47.9536  H     
62   H        37.8319   39.6697   51.5982  H     
63   H        39.5721   48.0284   51.9576  H     
64   H        39.1146   46.5017   51.2905  H     
65   H        37.8319   49.9218   52.0160  H     
66   H        36.1247   50.9941   50.7494  H     
67   H        35.4944   47.4238   48.5793  H     
68   H        37.2140   46.3589   49.8387  H     
69   H        38.6037   44.8481   58.3177  H     
70   H        37.8820   46.0768   56.3555  H     
71   H        42.0870   43.5965   56.2803  H     
72   H        40.6931   43.6063   58.2896  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   20 1
     7    5    6 2
     8    7    8 1
     9    7   20 1
    10    8    9 1
    11    8   13 2
    12    9   10 2
    13   10   11 1
    14   11   12 2
    15   11   14 1
    16   12   13 1
    17   14   15 2
    18   14   19 1
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   18   19 2
    23   18   44 1
    24   20   21 1
    25   20   35 1
    26   21   22 1
    27   22   23 1
    28   22   27 2
    29   23   24 2
    30   24   25 1
    31   25   26 2
    32   25   28 1
    33   26   27 1
    34   28   29 1
    35   28   30 1
    36   28   31 1
    37   31   32 2
    38   31   33 1
    39   31   34 1
    40   35   36 1
    41   35   39 1
    42   36   37 2
    43   37   38 1
    44   38   39 2
    45   38   42 1
    46   39   41 1
    47   40   41 2
    48   40   43 1
    49   42   43 2
    50   44   45 2
    51   44   46 1
    52   44   47 1
    53    1   48 1
    54    2   49 1
    55    3   50 1
    56    5   51 1
    57    6   52 1
    58    7   53 1
    59    7   54 1
    60    9   55 1
    61   10   56 1
    62   12   57 1
    63   13   58 1
    64   15   59 1
    65   16   60 1
    66   17   61 1
    67   19   62 1
    68   21   63 1
    69   21   64 1
    70   23   65 1
    71   24   66 1
    72   26   67 1
    73   27   68 1
    74   40   69 1
    75   41   70 1
    76   42   71 1
    77   43   72 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 14.3731
  Crash		| -1.2679
  Polar		| 7.7175
  FragIndex	| 1
  FragRMSD	| 0.586