@<TRIPOS>MOLECULE
BindingDB_24062
 61 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.7965   14.4528  110.2130  O     
2    C        19.6851   14.4211  107.9610  C     
3    C        18.4711   15.2102  107.9962  C     
4    C        19.5124   13.3892  108.7952  C     
5    N        17.6292   14.6048  108.9818  N     
6    C        18.4825   13.4547  110.9864  C     
7    C        19.3055   14.4358  111.5934  C     
8    C        17.8676   12.4883  111.8190  C     
9    C        18.0798   12.4911  113.2106  C     
10   C        18.9197   13.4577  113.7921  C     
11   C        19.5262   14.4362  112.9833  C     
12   C        20.8124   14.7068  107.1483  C     
13   C        23.1990   14.4722  106.5240  C     
14   C        23.0398   15.3771  105.4634  C     
15   C        21.7873   15.9673  105.2461  C     
16   C        20.6974   15.6284  106.0698  C     
17   C        22.1098   14.1483  107.3637  C     
18   F        22.3918   13.3611  108.3693  F     
19   F        21.6415   16.8404  104.2837  F     
20   C        16.4038   15.0454  109.3304  C     
21   C        18.2607   13.4276  109.5070  C     
22   C        15.7234   16.2361  108.7881  C     
23   C        15.9643   17.6184  109.5754  C     
24   C        16.6524   18.6366  108.5970  C     
25   C        14.6537   18.3291  110.0755  C     
26   C        16.8837   17.4865  110.8331  C     
27   N        14.3179   15.9566  108.5708  N     
28   C        13.7742   15.1420  107.6385  C     
29   O        12.4202   15.0331  107.6184  O     
30   O        14.5612   14.4258  106.7828  O     
31   C        14.0393   13.5110  105.7976  C     
32   C        15.1987   12.6746  105.1966  C     
33   O        15.8853   13.4222  104.1879  O     
34   H        18.7124   16.2344  108.2768  H     
35   H        17.9849   15.1819  107.0161  H     
36   H        20.1483   12.6353  108.9214  H     
37   H        19.7585   15.1537  111.0249  H     
38   H        17.2529   11.7725  111.4241  H     
39   H        17.6249   11.7916  113.8048  H     
40   H        19.0856   13.4532  114.8022  H     
41   H        20.1328   15.1445  113.4066  H     
42   H        24.1285   14.0677  106.6881  H     
43   H        23.8353   15.6162  104.8657  H     
44   H        19.8063   16.0776  105.8595  H     
45   H        17.6723   12.5502  109.2103  H     
46   H        16.0856   16.3638  107.7630  H     
47   H        17.6299   18.2641  108.2671  H     
48   H        16.8146   19.6111  109.0707  H     
49   H        16.0346   18.8002  107.7014  H     
50   H        13.9650   18.5314  109.2463  H     
51   H        14.8859   19.2899  110.5429  H     
52   H        14.1409   17.7050  110.8144  H     
53   H        16.4150   16.8335  111.5701  H     
54   H        17.0469   18.4544  111.3002  H     
55   H        17.8590   17.0736  110.5711  H     
56   H        13.6801   16.3710  109.1705  H     
57   H        13.3071   12.8241  106.2652  H     
58   H        13.5353   14.0680  104.9861  H     
59   H        15.8985   12.4060  105.9979  H     
60   H        14.7947   11.7507  104.7524  H     
61   H        16.7949   13.0613  104.1891  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   21 1
     7    5   20 am
     8    5   21 1
     9    6    7 2
    10    6    8 1
    11   21    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   22 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   23   25 1
    29   23   26 1
    30   27   28 am
    31   28   29 2
    32   28   30 1
    33   30   31 1
    34   31   32 1
    35   32   33 1
    36    3   34 1
    37    3   35 1
    38    4   36 1
    39    7   37 1
    40    8   38 1
    41    9   39 1
    42   10   40 1
    43   11   41 1
    44   13   42 1
    45   14   43 1
    46   16   44 1
    47   21   45 1
    48   22   46 1
    49   24   47 1
    50   24   48 1
    51   24   49 1
    52   25   50 1
    53   25   51 1
    54   25   52 1
    55   26   53 1
    56   26   54 1
    57   26   55 1
    58   27   56 1
    59   31   57 1
    60   31   58 1
    61   32   59 1
    62   32   60 1
    63   33   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5216
  Crash		| -1.5681
  Polar		| 1.4766
  FragIndex	| 1
  FragRMSD	| 0.319