@<TRIPOS>MOLECULE
BindingDB_13472
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.6293   31.4209   17.2604  C     
2    C        23.4057   32.5904   17.4136  C     
3    C        24.5637   32.5872   18.2141  C     
4    C        24.9864   31.4171   18.8927  C     
5    C        24.1962   30.2514   18.7427  C     
6    C        23.0322   30.2564   17.9529  C     
7    O        25.0559   30.4751   21.9025  O     
8    P        25.8626   31.5450   21.3711  P     
9    O        27.1551   31.5595   22.2049  O     
10   O        25.1479   32.8634   21.7185  O     
11   C        26.2147   31.3942   19.7480  C     
12   F        26.9055   30.2170   19.5641  F     
13   F        27.1122   32.3852   19.4217  F     
14   C        21.4246   31.4126   16.3862  C     
15   N        20.4621   31.7124   14.1843  N     
16   C        20.0004   32.5372   13.2493  C     
17   O        20.6608   33.5018   12.8780  O     
18   C        18.7214   32.2679   12.6060  C     
19   N        18.0617   33.5109   12.3159  N     
20   C        16.8824   33.9263   12.7668  C     
21   O        16.2213   33.2739   13.5634  O     
22   C        16.3558   35.1860   12.2997  C     
23   C        21.7052   31.7895   14.8994  C     
24   C        22.6721   30.9051   14.2601  C     
25   O        23.7672   31.3226   13.9099  O     
26   N        22.4280   29.6249   14.0897  N     
27   C        18.8844   31.4504   11.2851  C     
28   C        19.3408   30.0429   11.4666  C     
29   C        20.7138   29.7292   11.6229  C     
30   C        21.1348   28.3949   11.7605  C     
31   C        20.1885   27.3564   11.7727  C     
32   C        18.8212   27.6503   11.6194  C     
33   C        18.4036   28.9830   11.4505  C     
34   H        23.1267   33.4585   16.9447  H     
35   H        25.0871   33.4614   18.3086  H     
36   H        24.4621   29.3827   19.2150  H     
37   H        22.4893   29.3927   17.8716  H     
38   H        20.9435   30.4302   16.4218  H     
39   H        20.7018   32.1188   16.7979  H     
40   H        19.9024   30.9469   14.4055  H     
41   H        18.1020   31.6698   13.2782  H     
42   H        18.5207   34.0960   11.6959  H     
43   H        17.0430   35.9941   12.5571  H     
44   H        15.3851   35.4045   12.7557  H     
45   H        16.2255   35.1566   11.2155  H     
46   H        22.0996   32.8124   14.8869  H     
47   H        23.1031   29.0455   13.6981  H     
48   H        21.5632   29.2581   14.3343  H     
49   H        17.9202   31.4116   10.7746  H     
50   H        19.5681   31.9933   10.6224  H     
51   H        21.4212   30.4661   11.6093  H     
52   H        22.1335   28.1782   11.8334  H     
53   H        20.4962   26.3843   11.8646  H     
54   H        18.1329   26.8958   11.6108  H     
55   H        17.4105   29.1695   11.3048  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   14 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    8    9 1
    11    8   10 1
    12    8   11 1
    13   11   12 1
    14   11   13 1
    15   23   14 1
    16   15   16 am
    17   15   23 1
    18   16   17 2
    19   16   18 1
    20   18   19 1
    21   18   27 1
    22   19   20 am
    23   20   21 2
    24   20   22 1
    25   23   24 1
    26   24   25 2
    27   24   26 am
    28   27   28 1
    29   28   29 2
    30   28   33 1
    31   29   30 1
    32   30   31 2
    33   31   32 1
    34   32   33 2
    35    2   34 1
    36    3   35 1
    37    5   36 1
    38    6   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   18   41 1
    43   19   42 1
    44   22   43 1
    45   22   44 1
    46   22   45 1
    47   23   46 1
    48   26   47 1
    49   26   48 1
    50   27   49 1
    51   27   50 1
    52   29   51 1
    53   30   52 1
    54   31   53 1
    55   32   54 1
    56   33   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 13.7540
  Crash		| -1.0216
  Polar		| 10.6748
  FragIndex	| 1
  FragRMSD	| 0.620