@<TRIPOS>MOLECULE
BindingDB_15669
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0328   52.0410   59.1026  C     
2    C        41.7481   51.2249   60.2998  C     
3    C        40.7187   50.2372   60.5026  C     
4    N        41.3732   52.2611   59.5557  N     
5    C        42.1628   53.3954   59.0676  C     
6    C        44.4227   54.6915   59.0190  C     
7    C        43.6953   56.0110   59.3693  C     
8    C        42.2453   55.9896   58.8333  C     
9    C        41.4571   54.7612   59.3601  C     
10   C        43.6439   53.4614   59.5610  C     
11   O        42.8723   50.9966   60.7142  O     
12   C        39.4402   50.9854   60.0725  C     
13   C        38.7108   51.5796   61.2010  C     
14   O        39.2429   52.4240   61.9254  O     
15   N        37.4608   51.2061   61.4437  N     
16   C        36.5785   51.6780   62.3828  C     
17   C        35.9333   53.3507   64.0680  C     
18   C        36.8257   52.8855   63.0787  C     
19   C        35.3630   50.9772   62.6231  C     
20   C        34.4726   51.4545   63.6147  C     
21   C        34.7645   52.6172   64.3434  C     
22   Cl       36.2654   54.7628   64.9340  Cl    
23   C        34.9994   49.7699   61.8419  C     
24   H        39.4099   52.9390   59.0849  H     
25   H        40.0706   51.6436   58.0845  H     
26   H        40.9029   49.3833   59.8427  H     
27   H        40.6782   49.8876   61.5442  H     
28   H        42.2129   53.2874   57.9796  H     
29   H        44.5326   54.6132   57.9343  H     
30   H        45.4251   54.7108   59.4539  H     
31   H        43.6812   56.1473   60.4558  H     
32   H        44.2375   56.8562   58.9317  H     
33   H        41.7346   56.9086   59.1331  H     
34   H        42.2655   55.9647   57.7399  H     
35   H        40.4787   54.8032   58.8805  H     
36   H        41.3098   54.8680   60.4376  H     
37   H        43.6634   53.5062   60.6517  H     
38   H        44.1776   52.5651   59.2410  H     
39   H        38.7787   50.3085   59.5118  H     
40   H        37.1282   50.4784   60.8922  H     
41   H        37.6738   53.4286   62.8449  H     
42   H        33.6007   50.9550   63.8169  H     
43   H        34.1214   52.9244   65.0805  H     
44   H        34.9172   50.0496   60.7873  H     
45   H        34.0484   49.3351   62.1557  H     
46   H        35.7757   49.0076   61.9524  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   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   17   22 1
    23   19   20 1
    24   19   23 1
    25   20   21 2
    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   20   42 1
    45   21   43 1
    46   23   44 1
    47   23   45 1
    48   23   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4844
  Crash		| -1.9819
  Polar		| 0.0006
  FragIndex	| 1
  FragRMSD	| 1.290