@<TRIPOS>MOLECULE
BindingDB_14017
 61 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.8732  136.5077   -2.6636  C     
2    C        16.3195  137.7008   -1.4972  C     
3    C        17.7069  138.2558   -1.1128  C     
4    O        18.3444  135.7506   -3.5033  O     
5    C        18.7214  137.3965   -1.9035  C     
6    N        19.8201  136.7559   -1.0925  N     
7    N        16.5780  136.6951   -2.4716  N     
8    C        15.5530  136.0978   -3.1827  C     
9    C        14.7255  136.9369   -3.9686  C     
10   C        13.6411  136.4255   -4.6986  C     
11   C        13.3664  135.0524   -4.6712  C     
12   C        15.2907  134.6951   -3.1787  C     
13   C        14.1948  134.1775   -3.9380  C     
14   C        16.0842  133.7730   -2.4521  C     
15   C        13.9407  132.7901   -3.9655  C     
16   C        14.7861  131.8953   -3.2927  C     
17   C        15.8752  132.3783   -2.5469  C     
18   C        19.3717  135.7516   -0.0666  C     
19   O        16.6845  131.4366   -1.9482  O     
20   C        20.5252  134.9501    0.6002  C     
21   C        20.0661  133.9101    1.5487  C     
22   C        19.7293  132.0564    2.6351  C     
23   C        19.3753  134.1720    2.7365  C     
24   C        18.0452  131.6111   -2.0682  C     
25   C        18.7621  131.6238   -0.8562  C     
26   C        18.7581  131.7396   -3.2922  C     
27   C        20.1519  131.9629   -3.2656  C     
28   C        20.8419  132.0151   -2.0420  C     
29   C        20.1593  131.8327   -0.8188  C     
30   C        20.8945  131.7912    0.4749  C     
31   C        18.1654  131.6334   -4.4533  C     
32   N        17.6633  131.5404   -5.4827  N     
33   N        20.2626  132.5735    1.5056  N     
34   N        19.1977  133.0211    3.4023  N     
35   C        20.7567  137.7908   -0.5435  C     
36   H        15.8136  137.2501   -0.6250  H     
37   H        15.6960  138.5153   -1.8852  H     
38   H        17.7883  139.3177   -1.3926  H     
39   H        17.8445  138.1888   -0.0266  H     
40   H        19.1917  138.0412   -2.6572  H     
41   H        20.3721  136.2229   -1.7658  H     
42   H        14.9181  137.9344   -4.0387  H     
43   H        13.0540  137.0535   -5.2551  H     
44   H        12.5766  134.6958   -5.2173  H     
45   H        16.8516  134.1022   -1.8665  H     
46   H        13.1515  132.4064   -4.5032  H     
47   H        14.6151  130.8885   -3.3516  H     
48   H        18.7947  136.2395    0.7266  H     
49   H        18.7148  135.0229   -0.5462  H     
50   H        21.1305  134.5004   -0.1891  H     
51   H        21.1680  135.6205    1.1715  H     
52   H        19.7379  131.0741    2.8998  H     
53   H        19.0896  135.0960    3.0789  H     
54   H        18.2508  131.4928    0.0230  H     
55   H        20.6794  132.0705   -4.1408  H     
56   H        21.8525  132.1577   -2.0599  H     
57   H        20.9462  130.7409    0.7769  H     
58   H        21.9242  132.1402    0.3594  H     
59   H        20.9998  138.5504   -1.2880  H     
60   H        21.7046  137.3390   -0.2530  H     
61   H        20.3295  138.2942    0.3290  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    6   35 1
    10    7    8 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   12   13 2
    17   12   14 1
    18   13   15 1
    19   14   17 2
    20   15   16 2
    21   16   17 1
    22   17   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 1
    26   21   23 2
    27   21   33 1
    28   22   33 1
    29   22   34 2
    30   23   34 1
    31   24   25 2
    32   24   26 1
    33   25   29 1
    34   26   27 2
    35   26   31 1
    36   27   28 1
    37   28   29 2
    38   29   30 1
    39   30   33 1
    40   31   32 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
    64   35   59 1
    65   35   60 1
    66   35   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8329
  Crash		| -0.2251
  Polar		| 3.7637
  FragIndex	| 1
  FragRMSD	| 1.066