@<TRIPOS>MOLECULE
BindingDB_50181135
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.0800   16.0206  105.7690  C     
2    C        21.9482   16.8183  105.9892  C     
3    C        20.8384   16.2877  106.6740  C     
4    C        20.8211   14.9558  107.1819  C     
5    C        22.0085   14.1869  106.9663  C     
6    C        23.1094   14.7090  106.2589  C     
7    C        19.6768   14.4824  107.8839  C     
8    C        18.3188   14.9951  107.7342  C     
9    N        17.5414   14.3039  108.7285  N     
10   C        18.3376   13.2835  109.3553  C     
11   C        19.6275   13.4771  108.7678  C     
12   C        18.3527   13.3414  110.8545  C     
13   C        19.0814   14.3284  111.5643  C     
14   C        19.0714   14.3572  112.9718  C     
15   C        18.2966   13.4308  113.6908  C     
16   C        17.5252   12.4754  113.0068  C     
17   C        17.5789   12.4169  111.5993  C     
18   C        16.2087   14.3898  108.9041  C     
19   O        15.6718   13.5627  109.6377  O     
20   F        22.1900   12.9794  107.4266  F     
21   F        21.9310   18.0488  105.5521  F     
22   O        16.7283   11.6337  113.7134  O     
23   N        15.3716   15.2668  108.3323  N     
24   C        14.1298   14.7387  107.7834  C     
25   C        15.3682   16.6771  108.7305  C     
26   C        16.3358   17.1228  109.8873  C     
27   C        16.2881   18.6553  110.1082  C     
28   N        16.4285   19.3995  108.8402  N     
29   C        15.3673   19.0964  107.8641  C     
30   C        15.4295   17.6018  107.4738  C     
31   H        23.8874   16.3940  105.2665  H     
32   H        20.0320   16.9035  106.7919  H     
33   H        23.9492   14.1424  106.1064  H     
34   H        18.3179   16.0739  107.8703  H     
35   H        17.9384   14.7528  106.7352  H     
36   H        17.9776   12.3059  109.0100  H     
37   H        20.3738   12.8716  108.9975  H     
38   H        19.6377   15.0226  111.0604  H     
39   H        19.6195   15.0589  113.4735  H     
40   H        18.2800   13.4652  114.7126  H     
41   H        17.0209   11.7056  111.1189  H     
42   H        15.9177   11.4976  113.1760  H     
43   H        14.2650   13.7414  107.3520  H     
44   H        13.7477   15.3765  106.9853  H     
45   H        13.3688   14.6725  108.5663  H     
46   H        14.3794   16.8749  109.1671  H     
47   H        16.0200   16.6355  110.8163  H     
48   H        17.3760   16.8389  109.7333  H     
49   H        15.3438   18.9342  110.5846  H     
50   H        17.1028   18.9399  110.7748  H     
51   H        16.4104   20.4019  109.0404  H     
52   H        17.3281   19.1601  108.4202  H     
53   H        14.3876   19.3450  108.2817  H     
54   H        15.5183   19.7167  106.9804  H     
55   H        16.3393   17.4219  106.9052  H     
56   H        14.5809   17.3987  106.8166  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   20 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 1
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   22 1
    24   18   19 2
    25   18   23 am
    26   23   24 1
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 1
    31   27   28 1
    32   28   29 1
    33   29   30 1
    34    1   31 1
    35    3   32 1
    36    6   33 1
    37    8   34 1
    38    8   35 1
    39   10   36 1
    40   11   37 1
    41   13   38 1
    42   14   39 1
    43   15   40 1
    44   17   41 1
    45   22   42 1
    46   24   43 1
    47   24   44 1
    48   24   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   30   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9986
  Crash		| -1.9583
  Polar		| 0.6751
  FragIndex	| 1
  FragRMSD	| 1.322