@<TRIPOS>MOLECULE
BindingDB_17988
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        83.9246   23.2221   70.1673  C     
2    C        84.2737   23.4326   67.8358  C     
3    C        83.6567   22.1752   67.6026  C     
4    C        83.1641   21.4739   68.7329  C     
5    N        83.3242   22.0255   69.9673  N     
6    N        84.3904   23.9078   69.1006  N     
7    N        84.0405   23.7151   71.4104  N     
8    N        84.7569   24.2159   66.8577  N     
9    C        82.4569   20.1670   68.6840  C     
10   C        83.4029   18.9863   68.9845  C     
11   C        83.5149   21.6754   66.2812  C     
12   C        82.3011   21.8477   65.5688  C     
13   C        84.5961   21.0391   65.6428  C     
14   C        84.4687   20.5925   64.3202  C     
15   C        82.1340   21.4014   64.2281  C     
16   C        83.2518   20.7586   63.6362  C     
17   O        83.1926   20.2969   62.3501  O     
18   N        80.9698   21.5301   63.4446  N     
19   C        79.9070   22.4830   63.7797  C     
20   C        79.8610   23.7224   62.8249  C     
21   C        78.2638   26.1732   64.0712  C     
22   C        80.8346   20.7824   62.3205  C     
23   O        79.7975   20.8072   61.6540  O     
24   C        81.6136   18.4493   62.4453  C     
25   C        80.3725   25.0738   63.4306  C     
26   O        79.4411   26.1606   63.2434  O     
27   C        81.8971   19.8684   61.8509  C     
28   C        82.0643   19.9327   60.3504  C     
29   C        82.4139   20.1744   57.5339  C     
30   C        82.5647   21.3007   58.3608  C     
31   C        82.3936   21.1731   59.7487  C     
32   C        81.8960   18.8150   59.4905  C     
33   C        82.0712   18.9368   58.0983  C     
34   F        82.8463   22.4636   57.8380  F     
35   F        81.8976   17.8972   57.3259  F     
36   H        84.4624   24.5768   71.5574  H     
37   H        83.6889   23.2185   72.1672  H     
38   H        85.1080   25.0961   67.0721  H     
39   H        84.7154   23.9278   65.9327  H     
40   H        81.6429   20.1687   69.4148  H     
41   H        81.9984   20.0034   67.7088  H     
42   H        84.2360   18.9800   68.2775  H     
43   H        82.8608   18.0441   68.8913  H     
44   H        83.7942   19.0611   70.0015  H     
45   H        81.5317   22.2993   66.0584  H     
46   H        85.4808   20.8946   66.1361  H     
47   H        85.2623   20.1458   63.8563  H     
48   H        78.9387   21.9730   63.7459  H     
49   H        79.9492   22.8380   64.7990  H     
50   H        80.4364   23.5042   61.9174  H     
51   H        78.8258   23.8524   62.4872  H     
52   H        77.6759   27.0531   63.8029  H     
53   H        77.6440   25.2952   63.8993  H     
54   H        78.5151   26.2433   65.1278  H     
55   H        82.3754   17.7347   62.1315  H     
56   H        80.6362   18.0778   62.1318  H     
57   H        81.6313   18.4858   63.5346  H     
58   H        80.6310   24.9720   64.4927  H     
59   H        81.2945   25.3432   62.9113  H     
60   H        82.5294   20.2671   56.5223  H     
61   H        82.5127   22.0069   60.3340  H     
62   H        81.6440   17.9038   59.8677  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   18 1
    19   16   17 1
    20   17   27 1
    21   18   19 1
    22   18   22 1
    23   19   20 1
    24   20   25 1
    25   21   26 1
    26   22   23 2
    27   22   27 1
    28   24   27 1
    29   25   26 1
    30   27   28 1
    31   28   31 1
    32   28   32 2
    33   29   30 1
    34   29   33 2
    35   30   31 2
    36   30   34 1
    37   32   33 1
    38   33   35 1
    39    7   36 1
    40    7   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44    9   41 1
    45   10   42 1
    46   10   43 1
    47   10   44 1
    48   12   45 1
    49   13   46 1
    50   14   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   21   54 1
    58   24   55 1
    59   24   56 1
    60   24   57 1
    61   25   58 1
    62   25   59 1
    63   29   60 1
    64   31   61 1
    65   32   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9504
  Crash		| -2.6258
  Polar		| 2.0489
  FragIndex	| 1
  FragRMSD	| 1.101