@<TRIPOS>MOLECULE
BindingDB_15698
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.5691   55.1922   58.1737  C     
2    C        43.9537   55.0181   58.3395  C     
3    C        44.4449   53.8628   58.9730  C     
4    C        43.5507   52.8843   59.4450  C     
5    C        42.1516   53.0446   59.2949  C     
6    C        41.6771   54.2119   58.6459  C     
7    C        40.1595   52.4269   60.6033  C     
8    C        41.3834   50.7815   59.6369  C     
9    C        40.3782   50.0446   60.3540  C     
10   C        39.3145   51.1322   60.6044  C     
11   N        41.2762   52.0962   59.7789  N     
12   O        42.2153   50.2163   58.9419  O     
13   C        38.3977   50.9908   61.7258  C     
14   O        38.1814   49.8931   62.2278  O     
15   N        37.5966   52.0164   61.9866  N     
16   C        36.4668   52.0168   62.7482  C     
17   C        35.3546   51.1533   62.5119  C     
18   C        34.2121   51.2745   63.3531  C     
19   C        34.1687   52.2554   64.3615  C     
20   C        35.2490   53.1302   64.5503  C     
21   C        36.3893   53.0151   63.7419  C     
22   Cl       32.8395   50.2858   63.2006  Cl    
23   C        35.3275   50.1801   61.3782  C     
24   H        42.2085   56.0282   57.7056  H     
25   H        44.6046   55.7295   58.0015  H     
26   H        45.4525   53.7358   59.0960  H     
27   H        43.9284   52.0599   59.9197  H     
28   H        40.6760   54.3512   58.4945  H     
29   H        39.5661   53.2514   60.1984  H     
30   H        40.5077   52.6912   61.6083  H     
31   H        39.9711   49.2221   59.7594  H     
32   H        40.8005   49.6601   61.2863  H     
33   H        38.6843   51.1512   59.7070  H     
34   H        37.8513   52.8739   61.6091  H     
35   H        33.3468   52.3422   64.9636  H     
36   H        35.2070   53.8449   65.2808  H     
37   H        37.1697   53.6612   63.8974  H     
38   H        34.4977   50.4285   60.7126  H     
39   H        35.1827   49.1685   61.7653  H     
40   H        36.2318   50.1795   60.7618  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   11 1
     8    7   10 1
     9    7   11 1
    10    8    9 1
    11    8   11 1
    12    8   12 2
    13    9   10 1
    14   10   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   17   23 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26    1   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    6   28 1
    31    7   29 1
    32    7   30 1
    33    9   31 1
    34    9   32 1
    35   10   33 1
    36   15   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.5173
  Crash		| -1.6978
  Polar		| 0.0075
  FragIndex	| 1
  FragRMSD	| 1.160