@<TRIPOS>MOLECULE
BindingDB_14693
 75 78 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.2534   13.8919   23.1825  C     
2    C        18.8735   13.6255   23.3917  C     
3    C        18.2972   12.4205   22.9461  C     
4    C        19.0847   11.4632   22.2897  C     
5    C        20.4476   11.7136   22.0623  C     
6    C        21.0208   12.9198   22.4903  C     
7    C        20.8647   15.0965   23.6528  C     
8    C        22.1674   17.5519   24.3715  C     
9    C        22.8616   16.3182   24.4326  C     
10   C        22.2176   15.1158   24.0901  C     
11   C        20.1670   16.3305   23.6449  C     
12   C        20.8088   17.5325   23.9835  C     
13   C        22.9104   18.8310   24.5741  C     
14   C        20.6236   19.5198   27.2022  C     
15   C        22.0358   19.8739   26.6621  C     
16   C        21.4767   20.8243   24.4706  C     
17   C        19.3376   21.2429   25.7107  C     
18   C        19.6038   20.6797   27.1272  C     
19   N        22.1214   19.8922   25.2096  N     
20   O        21.5843   20.7888   23.2499  O     
21   C        20.5806   21.8722   25.0080  C     
22   N        20.0606   22.7708   24.0059  N     
23   C        20.6406   23.8327   23.4775  C     
24   O        21.7601   24.1964   23.8543  O     
25   C        19.9419   24.5539   22.4217  C     
26   N        20.3628   25.9308   22.3575  N     
27   C        19.5840   27.0042   22.4650  C     
28   C        20.1636   28.3234   22.3510  C     
29   O        18.3764   26.9079   22.6660  O     
30   C        20.1337   23.8207   21.0602  C     
31   C        19.3979   24.4696   19.9457  C     
32   C        17.9994   25.7584   17.8045  C     
33   C        17.3903   24.7291   18.5678  C     
34   C        18.0721   24.1033   19.6262  C     
35   C        20.0190   25.4805   19.1793  C     
36   C        19.3355   26.1129   18.1331  C     
37   P        16.0731   27.4963   17.3169  P     
38   O        14.8231   26.8126   17.5392  O     
39   O        16.4575   28.1438   18.6613  O     
40   O        15.7781   28.6402   16.3306  O     
41   C        17.2403   26.4580   16.7187  C     
42   F        18.0557   27.1988   15.8892  F     
43   F        16.6431   25.5338   15.8912  F     
44   H        18.2846   14.2927   23.8941  H     
45   H        17.3125   12.2307   23.1310  H     
46   H        18.6757   10.5763   21.9899  H     
47   H        21.0240   11.0156   21.5976  H     
48   H        22.0090   13.0901   22.2881  H     
49   H        23.8523   16.2887   24.6965  H     
50   H        22.7513   14.2446   24.1378  H     
51   H        19.1886   16.3723   23.3460  H     
52   H        20.2834   18.4060   23.9271  H     
53   H        23.8216   18.6665   25.1581  H     
54   H        23.2852   19.1365   23.5932  H     
55   H        20.2319   18.6545   26.6619  H     
56   H        20.7152   19.2292   28.2549  H     
57   H        22.3560   20.8392   27.0600  H     
58   H        22.7212   19.1403   27.0966  H     
59   H        18.9062   20.4590   25.0791  H     
60   H        18.5617   22.0106   25.8331  H     
61   H        18.6540   20.3096   27.5219  H     
62   H        19.9333   21.4953   27.7801  H     
63   H        21.1272   22.4824   25.7345  H     
64   H        19.1789   22.5558   23.6533  H     
65   H        18.8681   24.5104   22.6434  H     
66   H        21.3108   26.0981   22.2194  H     
67   H        20.9788   28.4381   23.0727  H     
68   H        19.4220   29.1085   22.5441  H     
69   H        20.5617   28.4699   21.3419  H     
70   H        21.1985   23.7617   20.8182  H     
71   H        19.7812   22.7893   21.1570  H     
72   H        16.4343   24.4321   18.3599  H     
73   H        17.5944   23.3753   20.1652  H     
74   H        20.9789   25.7699   19.3900  H     
75   H        19.8158   26.8533   17.6142  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   11 2
    10    8    9 1
    11    8   12 2
    12    8   13 1
    13    9   10 2
    14   11   12 1
    15   13   19 1
    16   14   15 1
    17   14   18 1
    18   15   19 1
    19   16   19 1
    20   16   20 2
    21   16   21 1
    22   17   18 1
    23   17   21 1
    24   21   22 1
    25   22   23 am
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   25   30 1
    30   26   27 am
    31   27   28 1
    32   27   29 2
    33   30   31 1
    34   31   34 1
    35   31   35 2
    36   32   33 1
    37   32   36 2
    38   32   41 1
    39   33   34 2
    40   35   36 1
    41   37   38 2
    42   37   39 1
    43   37   40 1
    44   37   41 1
    45   41   42 1
    46   41   43 1
    47    2   44 1
    48    3   45 1
    49    4   46 1
    50    5   47 1
    51    6   48 1
    52    9   49 1
    53   10   50 1
    54   11   51 1
    55   12   52 1
    56   13   53 1
    57   13   54 1
    58   14   55 1
    59   14   56 1
    60   15   57 1
    61   15   58 1
    62   17   59 1
    63   17   60 1
    64   18   61 1
    65   18   62 1
    66   21   63 1
    67   22   64 1
    68   25   65 1
    69   26   66 1
    70   28   67 1
    71   28   68 1
    72   28   69 1
    73   30   70 1
    74   30   71 1
    75   33   72 1
    76   34   73 1
    77   35   74 1
    78   36   75 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9784
  Crash		| -1.8308
  Polar		| 5.5603
  FragIndex	| 1
  FragRMSD	| 0.689