@<TRIPOS>MOLECULE
BindingDB_5655
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.1531   36.6036  141.5935  C     
2    C         1.4598   36.4029  141.2542  C     
3    C         1.9099   36.6424  140.0006  C     
4    C        -0.8081   36.9450  140.6367  C     
5    C        -0.3751   36.9868  139.2823  C     
6    C        -1.2664   37.2714  138.2093  C     
7    C        -3.0403   37.6157  139.8971  C     
8    C        -2.1658   37.2527  140.9346  C     
9    C        -2.6042   37.6340  138.5632  C     
10   O        -3.5247   38.0882  137.6801  O     
11   O        -2.6743   37.2269  142.2001  O     
12   O        -0.1219   36.6048  142.7894  O     
13   O         0.9784   36.7864  139.0189  O     
14   C         3.2783   36.8801  139.6530  C     
15   C         5.6135   37.3723  140.3849  C     
16   C         4.2949   36.9502  140.6596  C     
17   C         3.7284   37.1750  138.3259  C     
18   C         5.0329   37.6550  138.0583  C     
19   C         5.9763   37.7671  139.0979  C     
20   Cl        2.8171   36.9201  136.9154  Cl    
21   C        -0.7340   37.3065  136.7953  C     
22   C         0.5505   38.7628  135.0825  C     
23   C        -0.0513   38.6808  136.5103  C     
24   C        -1.6776   36.8993  135.6208  C     
25   C        -0.9719   37.0067  134.2425  C     
26   N        -0.4524   38.3908  134.0399  N     
27   C         0.0426   38.6358  132.6570  C     
28   O        -0.9868   39.7435  136.6579  O     
29   H         2.1023   36.1442  141.9644  H     
30   H        -4.0024   37.8825  140.1246  H     
31   H        -3.8065   37.2782  137.2075  H     
32   H        -2.5049   38.1230  142.5581  H     
33   H         6.3106   37.4136  141.1331  H     
34   H         4.0929   36.7415  141.6323  H     
35   H         5.3251   37.8971  137.1070  H     
36   H         6.9293   38.1099  138.9110  H     
37   H         0.0507   36.5492  136.7359  H     
38   H         0.8922   39.7877  134.9220  H     
39   H         1.4254   38.1088  135.0188  H     
40   H         0.7558   38.8500  137.2279  H     
41   H        -2.0355   35.8794  135.7697  H     
42   H        -2.5379   37.5603  135.5733  H     
43   H        -0.1593   36.2770  134.1739  H     
44   H        -1.7023   36.7662  133.4673  H     
45   H        -1.2510   39.0170  134.1652  H     
46   H         0.3454   39.6792  132.5399  H     
47   H        -0.7569   38.4502  131.9356  H     
48   H         0.8926   37.9963  132.4162  H     
49   H        -0.9296   40.0106  137.6015  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   12 2
     4    2    3 2
     5    3   13 1
     6    3   14 1
     7    4    5 1
     8    4    8 2
     9    5    6 2
    10    5   13 1
    11    6    9 1
    12   21    6 1
    13    7    8 1
    14    7    9 2
    15    8   11 1
    16    9   10 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   17   20 1
    23   18   19 2
    24   21   23 1
    25   21   24 1
    26   22   23 1
    27   22   26 1
    28   23   28 1
    29   24   25 1
    30   25   26 1
    31   26   27 1
    32    2   29 1
    33    7   30 1
    34   10   31 1
    35   11   32 1
    36   15   33 1
    37   16   34 1
    38   18   35 1
    39   19   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   27   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9529
  Crash		| -2.9467
  Polar		| 1.4507
  FragIndex	| 1
  FragRMSD	| 1.167