@<TRIPOS>MOLECULE
BindingDB_12114
 52 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.2075   -2.0844    9.2423  C     
2    C        18.5207   -0.8789    9.0885  C     
3    N        19.4245    0.0244    8.6416  N     
4    C        20.6201   -0.5517    8.4502  C     
5    C        20.5043   -1.8934    8.7978  C     
6    C        21.8172   -0.0590    7.8993  C     
7    C        22.8745   -0.9616    7.6498  C     
8    C        21.5528   -2.8039    8.5678  C     
9    C        17.1704   -0.6129    9.2311  C     
10   C        16.1283   -1.3813    9.6791  C     
11   C        13.7085   -1.0368    9.8519  C     
12   C        14.9891   -0.5936    9.5120  C     
13   C        15.9821   -2.6772   10.2336  C     
14   C        14.7062   -3.1370   10.5945  C     
15   C        13.5557   -2.3305   10.3966  C     
16   N        16.6714    0.5239    8.8550  N     
17   N        15.4175    0.5658    9.0083  N     
18   C        22.7586   -2.3370    7.9736  C     
19   C        23.7977   -3.2860    7.4540  C     
20   C        22.6828   -6.9873    7.7254  C     
21   C        23.2457   -6.5174    5.3836  C     
22   C        23.9473   -5.1984    5.8044  C     
23   C        23.3424   -5.6477    8.1556  C     
24   N        23.2991   -4.6479    7.0452  N     
25   N        23.2546   -7.4868    6.4742  N     
26   C        23.7316   -8.7407    6.3164  C     
27   C        23.7677   -9.7636    7.3553  C     
28   O        24.1070   -9.1141    5.2024  O     
29   Cl       12.0236   -2.9030   10.8295  Cl    
30   H        18.8341   -2.9870    9.5184  H     
31   H        19.2226    0.9430    8.4223  H     
32   H        21.8993    0.9206    7.6285  H     
33   H        23.7245   -0.6078    7.1964  H     
34   H        21.4038   -3.7943    8.7777  H     
35   H        12.8920   -0.4374    9.7063  H     
36   H        16.7972   -3.2738   10.3928  H     
37   H        14.6136   -4.0693   11.0025  H     
38   H        14.8375    1.3250    8.8108  H     
39   H        24.2494   -2.7776    6.5913  H     
40   H        24.6061   -3.4079    8.1930  H     
41   H        22.7879   -7.6816    8.5606  H     
42   H        21.6064   -6.8159    7.5684  H     
43   H        22.1955   -6.2920    5.1345  H     
44   H        23.7255   -6.8773    4.4565  H     
45   H        25.0209   -5.3851    5.9670  H     
46   H        23.8352   -4.4767    4.9824  H     
47   H        22.7957   -5.2526    9.0235  H     
48   H        24.3851   -5.8459    8.4527  H     
49   H        22.3070   -4.5531    6.7945  H     
50   H        24.4445   -9.4385    8.1555  H     
51   H        24.1301  -10.7269    6.9704  H     
52   H        22.7620   -9.9248    7.7691  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   29 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   25   26 am
    32   26   27 1
    33   26   28 2
    34    1   30 1
    35    3   31 1
    36    6   32 1
    37    7   33 1
    38    8   34 1
    39   11   35 1
    40   13   36 1
    41   14   37 1
    42   17   38 1
    43   19   39 1
    44   19   40 1
    45   20   41 1
    46   20   42 1
    47   21   43 1
    48   21   44 1
    49   22   45 1
    50   22   46 1
    51   23   47 1
    52   23   48 1
    53   24   49 1
    54   27   50 1
    55   27   51 1
    56   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5560
  Crash		| -1.3400
  Polar		| 2.0335
  FragIndex	| 1
  FragRMSD	| 1.092