@<TRIPOS>MOLECULE
BindingDB_11438
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.7121   28.9543   28.7244  C     
2    C        25.4221   27.9533   28.1292  C     
3    C        26.4930   28.2345   27.3069  C     
4    C        26.3094   30.4793   27.9210  C     
5    C        26.5611   31.8409   28.0067  C     
6    C        25.5669   32.3179   28.8473  C     
7    N        23.5841   28.7308   29.4047  N     
8    C        22.5844   27.8575   29.1106  C     
9    C        22.4197   27.1923   27.8711  C     
10   C        21.6123   27.6423   30.1111  C     
11   C        20.5828   26.6952   29.9245  C     
12   C        20.4805   25.9810   28.7135  C     
13   C        21.3884   26.2641   27.6783  C     
14   O        18.3381   24.5404   29.7214  O     
15   O        18.3014   25.3880   27.3008  O     
16   N        25.2150   30.2003   28.6656  N     
17   N        26.9246   29.4898   27.2172  N     
18   N        24.7654   31.3018   29.2082  N     
19   C        27.0807   25.9512   26.5473  C     
20   C        27.4887   25.2733   25.2135  C     
21   C        28.7029   25.9552   24.5229  C     
22   C        27.6132   32.6190   27.3237  C     
23   C        29.0048   32.0610   27.6680  C     
24   C        27.3780   32.6404   25.7968  C     
25   O        27.0941   27.3958   26.4319  O     
26   C        27.7644   23.7590   25.4236  C     
27   S        19.2399   24.7955   28.4381  S     
28   C        19.9376   23.2510   27.8276  C     
29   H        25.1622   27.0173   28.3137  H     
30   H        25.4470   33.2917   29.1214  H     
31   H        23.4289   29.3053   30.1625  H     
32   H        23.0394   27.3961   27.0892  H     
33   H        21.6628   28.1396   31.0069  H     
34   H        19.9181   26.5191   30.6914  H     
35   H        21.3176   25.7945   26.7721  H     
36   H        26.0644   25.5968   26.7816  H     
37   H        27.7608   25.6714   27.3543  H     
38   H        26.6209   25.3626   24.5413  H     
39   H        28.4767   26.9936   24.2706  H     
40   H        28.9462   25.4306   23.5974  H     
41   H        29.5737   25.9285   25.1795  H     
42   H        27.5752   33.6446   27.6787  H     
43   H        29.2286   32.2018   28.7240  H     
44   H        29.7673   32.5655   27.0721  H     
45   H        29.0467   30.9951   27.4554  H     
46   H        27.5027   31.6392   25.3747  H     
47   H        28.0909   33.3172   25.3126  H     
48   H        26.3690   32.9899   25.5694  H     
49   H        28.6663   23.6056   26.0180  H     
50   H        27.9015   23.2774   24.4544  H     
51   H        26.9241   23.2761   25.9281  H     
52   H        20.4794   23.4354   26.8995  H     
53   H        19.1372   22.5347   27.6378  H     
54   H        20.6221   22.8409   28.5700  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   16 1
     4    2    3 1
     5    3   17 2
     6    3   25 1
     7    4    5 2
     8    4   16 1
     9    4   17 1
    10    5    6 1
    11    5   22 1
    12    6   18 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   27 1
    21   14   27 2
    22   15   27 2
    23   16   18 1
    24   19   20 1
    25   19   25 1
    26   20   21 1
    27   20   26 1
    28   22   23 1
    29   22   24 1
    30   27   28 1
    31    2   29 1
    32    6   30 1
    33    7   31 1
    34    9   32 1
    35   10   33 1
    36   11   34 1
    37   13   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   24   47 1
    50   24   48 1
    51   26   49 1
    52   26   50 1
    53   26   51 1
    54   28   52 1
    55   28   53 1
    56   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9707
  Crash		| -8.2863
  Polar		| 4.0392
  FragIndex	| 1
  FragRMSD	| 0.340