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


@<TRIPOS>ATOM
1    C        40.9539   51.7932   61.2227  C     
2    C        40.2468   51.8349   59.0704  C     
3    C        39.6075   50.6610   59.6088  C     
4    N        40.9932   52.4847   59.9588  N     
5    C        41.6991   53.7689   59.8428  C     
6    C        42.2442   54.1965   57.3104  C     
7    C        43.7533   53.9848   57.5973  C     
8    C        43.9744   53.0726   58.8279  C     
9    C        43.2412   53.6301   60.0753  C     
10   C        41.4650   54.6574   58.5777  C     
11   O        40.0511   52.1438   57.8966  O     
12   C        39.6895   50.9007   61.1337  C     
13   C        38.4890   51.5564   61.6651  C     
14   O        38.2567   52.7183   61.3367  O     
15   N        37.6046   50.8630   62.3753  N     
16   C        36.4619   51.3327   62.9633  C     
17   C        34.0646   52.1525   64.2404  C     
18   C        35.2394   52.9156   64.3853  C     
19   C        36.4274   52.5077   63.7540  C     
20   C        35.2729   50.5776   62.8210  C     
21   C        34.0791   50.9898   63.4383  C     
22   Cl       32.6561   50.0928   63.2174  Cl    
23   F        32.9876   52.5189   64.8821  F     
24   H        41.8516   51.1711   61.3226  H     
25   H        40.9072   52.4764   62.0830  H     
26   H        38.5762   50.5589   59.2486  H     
27   H        40.1817   49.7741   59.3136  H     
28   H        41.3164   54.3760   60.6792  H     
29   H        42.1278   54.9515   56.5238  H     
30   H        41.8247   53.2521   56.9434  H     
31   H        44.2218   53.5208   56.7240  H     
32   H        44.2320   54.9536   57.7731  H     
33   H        43.6110   52.0600   58.6135  H     
34   H        45.0485   53.0087   59.0421  H     
35   H        43.6488   54.6164   60.3133  H     
36   H        43.4552   52.9867   60.9296  H     
37   H        40.3992   54.7153   58.3572  H     
38   H        41.7894   55.6818   58.8130  H     
39   H        39.8640   49.9487   61.6523  H     
40   H        37.7551   49.9024   62.4355  H     
41   H        35.2315   53.7613   64.9633  H     
42   H        37.2737   53.0556   63.9048  H     
43   H        35.2768   49.7250   62.2534  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	| 3.7921
  Crash		| -1.9273
  Polar		| 1.0297
  FragIndex	| 1
  FragRMSD	| 0.848