@<TRIPOS>MOLECULE
BindingDB_18036
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.5166   96.3068  143.6315  C     
2    C         9.0670   94.5126  143.4119  C     
3    C         8.6279   94.2910  142.0685  C     
4    C         7.5725   95.1147  141.5860  C     
5    N         8.4813   95.5083  144.1325  N     
6    N         7.0596   96.0992  142.3734  N     
7    N         7.0860   97.3257  144.3926  N     
8    N         7.0316   94.9840  140.3590  N     
9    C        10.1425   93.7623  144.1081  C     
10   C        11.3477   94.6900  144.4219  C     
11   C         9.3525   93.4454  141.1995  C     
12   C        10.3905   93.9844  140.4108  C     
13   C        11.1689   93.1630  139.5766  C     
14   C         9.1124   92.0530  141.1547  C     
15   C         9.9034   91.2223  140.3296  C     
16   C        10.9359   91.7623  139.5225  C     
17   N        11.6464   90.8851  138.7646  N     
18   C        13.0519   90.6155  138.7604  C     
19   C        13.6600   91.4317  137.6674  C     
20   C        14.1193   92.7522  137.9055  C     
21   C        14.6032   93.5517  136.8549  C     
22   C        14.6149   93.0569  135.5377  C     
23   C        14.1359   91.7562  135.2767  C     
24   C        13.6630   90.9503  136.3352  C     
25   F        14.0642   91.3258  134.0479  F     
26   F        15.0071   94.7649  137.1104  F     
27   H         6.5345   98.0207  144.0070  H     
28   H         7.4790   97.4471  145.2670  H     
29   H         6.2959   95.5535  140.0946  H     
30   H         7.3476   94.3044  139.7523  H     
31   H         9.7236   93.3568  145.0443  H     
32   H        10.4997   92.9043  143.5241  H     
33   H        11.7488   95.1145  143.4947  H     
34   H        12.1126   94.1025  144.9362  H     
35   H        11.0282   95.5024  145.0900  H     
36   H        10.6110   94.9840  140.4545  H     
37   H        11.8976   93.6137  139.0140  H     
38   H         8.3645   91.6427  141.7186  H     
39   H         9.7061   90.2146  140.3219  H     
40   H        11.1466   90.4229  138.0642  H     
41   H        13.5527   90.8557  139.6883  H     
42   H        13.1738   89.5423  138.5921  H     
43   H        14.0686   93.1291  138.8516  H     
44   H        14.9351   93.6478  134.7718  H     
45   H        13.2632   90.0234  136.1313  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 2
     5    2    5 1
     6    2    9 1
     7    3    4 1
     8    3   11 1
     9    4    6 2
    10    4    8 1
    11    9   10 1
    12   11   12 2
    13   11   14 1
    14   12   13 1
    15   13   16 2
    16   14   15 2
    17   15   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 2
    22   19   24 1
    23   20   21 1
    24   21   22 2
    25   21   26 1
    26   22   23 1
    27   23   24 2
    28   23   25 1
    29    7   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   10   34 1
    37   10   35 1
    38   12   36 1
    39   13   37 1
    40   14   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   18   42 1
    45   20   43 1
    46   22   44 1
    47   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8165
  Crash		| -0.7868
  Polar		| 5.0022
  FragIndex	| 1
  FragRMSD	| 0.463