@<TRIPOS>MOLECULE
BindingDB_15674
 46 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.0310   52.2889   59.6082  C     
2    C        41.5281   50.9690   60.6712  C     
3    C        40.3368   50.1744   60.7247  C     
4    N        41.3670   52.1536   60.0998  N     
5    C        42.4401   53.1310   60.0057  C     
6    C        41.6694   55.0204   58.3556  C     
7    C        42.7617   54.5772   57.3484  C     
8    C        43.1091   53.0739   57.4830  C     
9    C        43.5119   52.7208   58.9409  C     
10   C        42.0183   54.6319   59.8146  C     
11   O        42.5846   50.5082   61.0863  O     
12   C        39.2295   51.1839   60.3536  C     
13   C        38.4888   51.6752   61.5178  C     
14   O        38.9991   52.5526   62.2073  O     
15   N        37.2533   51.2274   61.7293  N     
16   C        36.2471   51.5840   62.6099  C     
17   C        34.0855   52.2938   64.3185  C     
18   C        35.2304   53.0996   64.2639  C     
19   C        36.3084   52.7291   63.4547  C     
20   C        35.0759   50.7580   62.6758  C     
21   C        33.9970   51.1298   63.5272  C     
22   C        34.9966   49.5238   61.8433  C     
23   Cl       32.5679   50.2338   63.7194  Cl    
24   H        39.5953   53.2742   59.7981  H     
25   H        40.0238   52.1033   58.5320  H     
26   H        40.4062   49.3689   59.9881  H     
27   H        40.1730   49.7288   61.7103  H     
28   H        42.9559   53.1161   60.9760  H     
29   H        41.5327   56.1097   58.2888  H     
30   H        40.7227   54.5607   58.0753  H     
31   H        42.4045   54.7727   56.3356  H     
32   H        43.6615   55.1766   57.5083  H     
33   H        42.2426   52.4711   57.1832  H     
34   H        43.9529   52.8424   56.8166  H     
35   H        44.4624   53.2163   59.1751  H     
36   H        43.7026   51.6509   58.9877  H     
37   H        41.1832   54.8745   60.4698  H     
38   H        42.8516   55.2756   60.1213  H     
39   H        38.5449   50.6965   59.6570  H     
40   H        36.9955   50.5424   61.0954  H     
41   H        33.3266   52.5579   64.9490  H     
42   H        35.2965   53.9288   64.8543  H     
43   H        37.1390   53.3293   63.4942  H     
44   H        34.0549   48.9873   61.9559  H     
45   H        35.7968   48.8340   62.1437  H     
46   H        35.1167   49.7819   60.7851  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   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   20   21 2
    24   20   22 1
    25   21   23 1
    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   17   41 1
    44   18   42 1
    45   19   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7066
  Crash		| -2.0289
  Polar		| 0.0099
  FragIndex	| 1
  FragRMSD	| 1.437