@<TRIPOS>MOLECULE
BindingDB_15682
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.0980   50.8709   60.3671  C     
2    C        40.1364   51.2376   58.3441  C     
3    C        39.6156   49.9470   58.6962  C     
4    N        40.9712   51.7529   59.2484  N     
5    C        41.6081   53.0724   59.2770  C     
6    C        42.2596   53.6267   56.8205  C     
7    C        43.7643   53.5009   57.1764  C     
8    C        43.9871   52.5585   58.3850  C     
9    C        43.1399   53.0163   59.6016  C     
10   C        41.4066   54.0288   58.0563  C     
11   O        39.7612   51.7622   57.3036  O     
12   C        39.9905   49.8005   60.1900  C     
13   C        38.8503   49.9734   61.0903  C     
14   O        38.5600   49.0449   61.8438  O     
15   N        38.1839   51.1215   61.1470  N     
16   C        37.0366   51.3949   61.8381  C     
17   C        34.6391   52.1358   63.1599  C     
18   C        34.6923   50.9455   62.4087  C     
19   C        35.8815   50.5777   61.7534  C     
20   C        36.9681   52.5876   62.5906  C     
21   C        35.7796   52.9637   63.2508  C     
22   Cl       35.7556   54.4075   64.1320  Cl    
23   F        33.5199   52.4587   63.7515  F     
24   H        42.0818   50.3879   60.3513  H     
25   H        40.9913   51.4091   61.3124  H     
26   H        38.5413   49.8878   58.5219  H     
27   H        40.1139   49.1802   58.0908  H     
28   H        41.1349   53.5906   60.1197  H     
29   H        42.1317   54.3758   56.0338  H     
30   H        41.9253   52.6681   56.4205  H     
31   H        44.3114   53.1081   56.3154  H     
32   H        44.1656   54.4921   57.4141  H     
33   H        43.7130   51.5352   58.1129  H     
34   H        45.0458   52.5606   58.6609  H     
35   H        43.4776   54.0158   59.9079  H     
36   H        43.3449   52.3600   60.4494  H     
37   H        40.3500   54.0762   57.7837  H     
38   H        41.6986   55.0455   58.3537  H     
39   H        40.4366   48.8057   60.3416  H     
40   H        38.5712   51.8667   60.6539  H     
41   H        33.8696   50.3479   62.3333  H     
42   H        35.8873   49.7261   61.1913  H     
43   H        37.7936   53.1827   62.6607  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   17   23 1
    23   18   19 1
    24   20   21 2
    25   21   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9681
  Crash		| -1.3654
  Polar		| 1.1507
  FragIndex	| 1
  FragRMSD	| 1.133