@<TRIPOS>MOLECULE
BindingDB_13454
 54 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -18.3174   44.7357   48.7292  C     
2    C       -19.1849   45.5352   47.9629  C     
3    C       -19.3069   46.9164   48.2174  C     
4    C       -18.4681   47.4885   49.2013  C     
5    N       -20.2428   47.6070   47.5004  N     
6    O       -19.7359   50.2718   47.1125  O     
7    S       -20.8142   49.1677   47.8013  S     
8    O       -22.3297   49.3721   47.0794  O     
9    O       -20.8969   49.4848   49.4625  O     
10   C       -17.5680   46.6983   49.9544  C     
11   C       -17.5240   45.3055   49.7489  C     
12   C       -16.7021   47.3390   50.9716  C     
13   C       -16.8104   44.4665   50.7387  C     
14   C       -15.5379   45.1280   51.3589  C     
15   N       -15.7076   46.5421   51.6970  N     
16   C       -14.3827   44.9008   50.4953  C     
17   O       -14.3343   45.4708   49.4123  O     
18   N       -13.4574   44.0104   50.8452  N     
19   C       -12.2405   43.7131   50.1629  C     
20   C       -14.9613   47.1743   52.6377  C     
21   O       -15.0663   48.3949   52.7400  O     
22   C       -14.1208   46.5966   53.6944  C     
23   C       -12.9228   45.6353   53.4272  C     
24   C       -11.8831   45.8552   52.3662  C     
25   C        -9.6021   45.3473   51.5817  C     
26   C       -10.6054   45.2732   52.5643  C     
27   C       -12.1028   46.5260   51.1379  C     
28   C       -11.1094   46.5777   50.1390  C     
29   C        -9.8408   45.9878   50.3452  C     
30   C        -8.7742   45.9888   49.3069  C     
31   F        -9.1249   46.5972   48.1254  F     
32   F        -7.6572   46.6328   49.7747  F     
33   F        -8.4302   44.6949   49.0081  F     
34   H       -18.3072   43.7276   48.5691  H     
35   H       -19.7696   45.0882   47.2512  H     
36   H       -18.5120   48.4925   49.3833  H     
37   H       -20.6936   47.1224   46.7899  H     
38   H       -16.1717   48.1418   50.4548  H     
39   H       -17.3772   47.7917   51.7036  H     
40   H       -17.5225   44.2877   51.5486  H     
41   H       -16.5614   43.4917   50.3089  H     
42   H       -15.3771   44.5734   52.2817  H     
43   H       -13.6168   43.5134   51.6634  H     
44   H       -12.3420   42.7851   49.6042  H     
45   H       -11.4559   43.5762   50.9039  H     
46   H       -11.9420   44.5100   49.4776  H     
47   H       -13.7007   47.4078   54.3041  H     
48   H       -14.8107   46.0708   54.3612  H     
49   H       -12.3804   45.6123   54.3758  H     
50   H       -13.3211   44.6305   53.3311  H     
51   H        -8.6982   44.9006   51.7654  H     
52   H       -10.3978   44.7630   53.4274  H     
53   H       -12.9963   46.9670   50.9337  H     
54   H       -11.3270   47.0545   49.2595  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   29   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   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8236
  Crash		| -5.0779
  Polar		| 2.7174
  FragIndex	| 1
  FragRMSD	| 1.360