@<TRIPOS>MOLECULE
BindingDB_15320
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.9653    0.8272   10.5638  C     
2    C        60.8648   -0.2875    9.7103  C     
3    C        59.6458   -0.9666    9.5478  C     
4    C        58.4612   -0.5756   10.2271  C     
5    C        58.5816    0.5343   11.1228  C     
6    C        59.8168    1.1960   11.2905  C     
7    C        57.2804   -1.3312   10.0058  C     
8    C        56.2810   -1.6631   11.0485  C     
9    C        55.8804   -3.1718   10.9257  C     
10   C        55.5528   -3.4616    9.5344  C     
11   N        57.0912   -1.9059    8.8541  N     
12   N        56.2104   -2.8075    8.5859  N     
13   C        54.9906   -0.7966   10.8955  C     
14   O        54.6160   -4.1851    9.2300  O     
15   N        62.1820    1.4351   10.6111  N     
16   C        62.6345    2.6107   11.1091  C     
17   C        63.6832    5.2541   11.6850  C     
18   C        64.4517    4.0169   11.7495  C     
19   C        63.9790    2.8036   11.2712  C     
20   C        61.7047    3.7391   11.3012  C     
21   C        62.3478    5.0921   10.9240  C     
22   C        64.9594    1.7411   10.9334  C     
23   C        64.9733    1.2440    9.5229  C     
24   C        65.4357   -0.5887    7.9541  C     
25   C        64.9493    0.1882    6.8911  C     
26   C        64.4893    1.4942    7.1278  C     
27   C        64.5081    2.0209    8.4326  C     
28   C        65.4529   -0.0622    9.2579  C     
29   O        65.5010    4.0867   12.3728  O     
30   Cl       57.3128    1.2351   12.0064  Cl    
31   H        61.6829   -0.6076    9.1795  H     
32   H        59.6496   -1.7729    8.9155  H     
33   H        59.8815    1.9464   11.9780  H     
34   H        56.7128   -1.5049   12.0466  H     
35   H        56.7323   -3.7957   11.2126  H     
36   H        55.0465   -3.4128   11.5926  H     
37   H        56.0317   -3.0298    7.6608  H     
38   H        55.2182    0.2626   10.7972  H     
39   H        54.3479   -0.9410   11.7678  H     
40   H        54.4164   -1.0708   10.0055  H     
41   H        62.8589    0.9101   10.1707  H     
42   H        63.4677    5.5878   12.7019  H     
43   H        64.2812    6.0239   11.1989  H     
44   H        60.8106    3.6343   10.6850  H     
45   H        61.4011    3.7728   12.3499  H     
46   H        61.6698    5.9123   11.1727  H     
47   H        62.5298    5.1182    9.8457  H     
48   H        65.9907    2.0401   11.1365  H     
49   H        64.7526    0.9086   11.6120  H     
50   H        65.7756   -1.5370    7.7804  H     
51   H        64.9290   -0.1963    5.9459  H     
52   H        64.1363    2.0574    6.3507  H     
53   H        64.1619    2.9721    8.5798  H     
54   H        65.8072   -0.6490   10.0161  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    5   30 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    8   13 1
    14    9   10 1
    15   10   12 1
    16   10   14 2
    17   11   12 1
    18   15   16 1
    19   16   19 2
    20   16   20 1
    21   17   18 1
    22   17   21 1
    23   18   19 1
    24   18   29 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   27 2
    29   23   28 1
    30   24   25 1
    31   24   28 2
    32   25   26 2
    33   26   27 1
    34    2   31 1
    35    3   32 1
    36    6   33 1
    37    8   34 1
    38    9   35 1
    39    9   36 1
    40   12   37 1
    41   13   38 1
    42   13   39 1
    43   13   40 1
    44   15   41 1
    45   17   42 1
    46   17   43 1
    47   20   44 1
    48   20   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   24   50 1
    54   25   51 1
    55   26   52 1
    56   27   53 1
    57   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6045
  Crash		| -2.2713
  Polar		| 2.0240
  FragIndex	| 1
  FragRMSD	| 0.977