@<TRIPOS>MOLECULE
BindingDB_13457
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -19.5971   44.4833   49.8755  C     
2    C       -20.6076   45.2484   49.2694  C     
3    C       -20.6142   46.6554   49.3764  C     
4    C       -19.6425   47.2749   50.1998  C     
5    N       -21.5363   47.3254   48.6261  N     
6    O       -20.0047   49.0422   47.0792  O     
7    S       -21.3907   48.8980   48.0357  S     
8    O       -22.7566   49.3151   47.1349  O     
9    O       -21.1984   49.9397   49.3485  O     
10   C       -18.6248   46.5216   50.8248  C     
11   C       -18.5732   45.1194   50.6077  C     
12   C       -17.4265   47.1770   51.4409  C     
13   C       -17.2475   44.4604   50.7856  C     
14   C       -16.1759   45.4130   50.1439  C     
15   N       -16.1447   46.5925   51.0202  N     
16   C       -16.4812   45.7423   48.7408  C     
17   O       -16.1829   46.8452   48.2985  O     
18   N       -17.2843   44.9489   48.0425  N     
19   C       -17.9575   45.2957   46.8428  C     
20   C       -14.9904   47.0837   51.5074  C     
21   O       -15.0084   47.8124   52.4931  O     
22   C       -13.6970   46.9869   50.8338  C     
23   C       -12.7631   45.8517   51.3423  C     
24   C       -11.3605   45.8594   50.8100  C     
25   C        -9.0217   45.2012   51.1527  C     
26   C       -10.3732   45.1498   51.5321  C     
27   C       -10.9414   46.5850   49.6617  C     
28   C        -9.5861   46.6436   49.2546  C     
29   C        -8.6313   45.9385   50.0228  C     
30   C        -9.2061   47.4734   48.0739  C     
31   F        -7.8718   47.4234   47.7474  F     
32   F        -9.8981   47.0713   46.9574  F     
33   F        -9.5126   48.7910   48.3168  F     
34   H       -19.5530   43.4793   49.6855  H     
35   H       -21.3010   44.7710   48.6864  H     
36   H       -19.6281   48.2910   50.2981  H     
37   H       -22.2898   46.8132   48.2914  H     
38   H       -17.4167   48.2440   51.2001  H     
39   H       -17.5300   47.0777   52.5245  H     
40   H       -17.0477   44.3231   51.8524  H     
41   H       -17.2013   43.4775   50.3161  H     
42   H       -15.2223   44.8829   50.1387  H     
43   H       -17.5635   44.1155   48.4560  H     
44   H       -18.6526   44.4953   46.6201  H     
45   H       -17.2619   45.3947   46.0112  H     
46   H       -18.5258   46.2191   46.9683  H     
47   H       -13.8413   46.8693   49.7589  H     
48   H       -13.1810   47.9440   50.9654  H     
49   H       -12.7013   45.9485   52.4306  H     
50   H       -13.2186   44.8751   51.1272  H     
51   H        -8.3178   44.7198   51.7152  H     
52   H       -10.6266   44.6157   52.3682  H     
53   H       -11.6224   47.1118   49.1127  H     
54   H        -7.6397   45.9665   49.7795  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 am
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   22 1
    24   22   23 1
    25   23   24 1
    26   24   26 2
    27   24   27 1
    28   25   26 1
    29   25   29 2
    30   27   28 2
    31   28   29 1
    32   28   30 1
    33   30   31 1
    34   30   32 1
    35   30   33 1
    36    1   34 1
    37    2   35 1
    38    4   36 1
    39    5   37 1
    40   12   38 1
    41   12   39 1
    42   13   40 1
    43   13   41 1
    44   14   42 1
    45   18   43 1
    46   19   44 1
    47   19   45 1
    48   19   46 1
    49   22   47 1
    50   22   48 1
    51   23   49 1
    52   23   50 1
    53   25   51 1
    54   26   52 1
    55   27   53 1
    56   29   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2901
  Crash		| -5.0524
  Polar		| 1.8857
  FragIndex	| 1
  FragRMSD	| 1.329