@<TRIPOS>MOLECULE
BindingDB_23909
 83 87 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5924   66.2064   28.1261  C     
2    C        16.8385   64.9267   28.6662  C     
3    S        18.4597   64.3037   28.7570  S     
4    O        19.5627   65.4556   28.8236  O     
5    O        18.6222   63.5010   30.1206  O     
6    N        18.8454   63.2177   27.5302  N     
7    C        18.6817   63.5502   26.1388  C     
8    C        17.3571   63.1831   25.6022  C     
9    O        16.8575   62.1926   26.1301  O     
10   C        19.8394   62.9263   25.2950  C     
11   C        19.6534   61.5026   24.8749  C     
12   C        19.1245   61.2115   23.5966  C     
13   C        18.9563   59.8829   23.1772  C     
14   C        19.3240   58.8281   24.0281  C     
15   C        19.8448   59.0693   25.3257  C     
16   C        19.9755   60.4257   25.7342  C     
17   C        20.2885   57.9851   26.1491  C     
18   N        20.0775   56.6929   25.8390  N     
19   N        20.9989   58.1656   27.2752  N     
20   C        14.6156   65.3266   23.3408  C     
21   C        14.3870   63.8876   23.9003  C     
22   C        15.6656   63.0158   23.8242  C     
23   C        17.1229   64.9584   23.8699  C     
24   C        15.9152   65.9319   23.9675  C     
25   N        16.7761   63.6902   24.4923  N     
26   C        14.4481   64.6575   29.0979  C     
27   C        15.7587   64.1519   29.1377  C     
28   C        15.2817   66.7312   28.0924  C     
29   C        14.1978   65.9491   28.5905  C     
30   C        12.9140   66.5078   28.5858  C     
31   C        12.7214   67.7651   28.1375  C     
32   C        13.7549   68.5106   27.6437  C     
33   C        15.0123   68.0188   27.6079  C     
34   C        13.3823   66.3044   23.4433  C     
35   C        12.2595   65.9860   22.4009  C     
36   C        10.9982   66.8856   22.5701  C     
37   C        11.5569   67.4022   24.8849  C     
38   C        12.7687   66.4390   24.8711  C     
39   N        10.5545   66.9133   23.9558  N     
40   C         9.3400   66.4252   24.3685  C     
41   N         8.9637   66.3527   25.6613  N     
42   N         8.4039   65.9361   23.5323  N     
43   H        17.3719   66.7677   27.7734  H     
44   H        18.9120   62.2748   27.7604  H     
45   H        18.8169   64.6295   26.0998  H     
46   H        19.9671   63.5420   24.3994  H     
47   H        20.7851   63.0139   25.8402  H     
48   H        18.8503   61.9635   22.9580  H     
49   H        18.5778   59.6833   22.2446  H     
50   H        19.2246   57.8773   23.6643  H     
51   H        20.3318   60.6470   26.6659  H     
52   H        20.5231   55.9983   26.3509  H     
53   H        19.5407   56.4445   25.0707  H     
54   H        21.3231   57.3873   27.7513  H     
55   H        14.8327   65.2129   22.2714  H     
56   H        14.0863   63.9160   24.9473  H     
57   H        13.5989   63.3945   23.3294  H     
58   H        15.4252   62.0318   24.2391  H     
59   H        15.9239   62.8401   22.7720  H     
60   H        17.3800   64.7987   22.8175  H     
61   H        17.9798   65.4709   24.2925  H     
62   H        16.1765   66.8627   23.4503  H     
63   H        15.7513   66.1573   25.0265  H     
64   H        13.6833   64.0820   29.4624  H     
65   H        15.9221   63.2190   29.5257  H     
66   H        12.1380   65.9900   28.9287  H     
67   H        11.8044   68.1517   28.1472  H     
68   H        13.5767   69.4205   27.2907  H     
69   H        15.7420   68.5789   27.2339  H     
70   H        13.7506   67.3034   23.1759  H     
71   H        12.6549   66.1323   21.3906  H     
72   H        11.9490   64.9455   22.4916  H     
73   H        11.2470   67.9064   22.2554  H     
74   H        10.2358   66.5260   21.8738  H     
75   H        11.1925   67.4849   25.9069  H     
76   H        11.8764   68.4091   24.5945  H     
77   H        12.4098   65.4788   25.2410  H     
78   H        13.5216   66.8089   25.5639  H     
79   H         8.1088   65.9534   25.8821  H     
80   H         7.5958   65.5544   23.9132  H     
81   H         8.5432   65.9208   22.5734  H     
82   H        21.2118   59.0503   27.6034  H     
83   H         9.5509   66.6424   26.3743  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   28 2
     3    2    3 1
     4    2   27 2
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    6    7 1
     9    7    8 1
    10    7   10 1
    11    8    9 2
    12    8   25 am
    13   10   11 1
    14   11   12 1
    15   11   16 2
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 1
    22   17   19 2
    23   20   21 1
    24   20   24 1
    25   20   34 1
    26   21   22 1
    27   22   25 1
    28   23   24 1
    29   23   25 1
    30   26   27 1
    31   26   29 2
    32   28   29 1
    33   28   33 1
    34   29   30 1
    35   30   31 2
    36   31   32 1
    37   32   33 2
    38   34   35 1
    39   34   38 1
    40   35   36 1
    41   36   39 1
    42   37   38 1
    43   37   39 1
    44   39   40 1
    45   40   41 2
    46   40   42 1
    47    1   43 1
    48    6   44 1
    49    7   45 1
    50   10   46 1
    51   10   47 1
    52   12   48 1
    53   13   49 1
    54   14   50 1
    55   16   51 1
    56   18   52 1
    57   18   53 1
    58   19   54 1
    59   20   55 1
    60   21   56 1
    61   21   57 1
    62   22   58 1
    63   22   59 1
    64   23   60 1
    65   23   61 1
    66   24   62 1
    67   24   63 1
    68   26   64 1
    69   27   65 1
    70   30   66 1
    71   31   67 1
    72   32   68 1
    73   33   69 1
    74   34   70 1
    75   35   71 1
    76   35   72 1
    77   36   73 1
    78   36   74 1
    79   37   75 1
    80   37   76 1
    81   38   77 1
    82   38   78 1
    83   41   79 1
    84   42   80 1
    85   42   81 1
    86   19   82 1
    87   41   83 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4250
  Crash		| -2.5142
  Polar		| 7.2882
  FragIndex	| 1
  FragRMSD	| 0.670