@<TRIPOS>MOLECULE
BindingDB_15673
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.1669   51.1487  -80.0123  C     
2    C        40.3551   51.4062  -82.1022  C     
3    C        39.8464   50.1113  -81.7504  C     
4    N        41.0516   52.0168  -81.1545  N     
5    C        41.8292   53.2454  -81.3059  C     
6    C        43.0973   55.1840  -80.0812  C     
7    C        42.3997   56.2351  -80.9844  C     
8    C        42.0336   55.6154  -82.3527  C     
9    C        41.1395   54.3515  -82.1718  C     
10   C        42.2447   53.8921  -79.9428  C     
11   O        40.1834   51.8171  -83.2493  O     
12   C        40.1738   49.9795  -80.2491  C     
13   C        39.0052   50.0323  -79.3768  C     
14   O        38.7579   49.0864  -78.6216  O     
15   N        38.2884   51.1521  -79.3080  N     
16   C        37.1827   51.4074  -78.5485  C     
17   C        34.8852   52.1073  -77.0586  C     
18   C        34.9308   50.8614  -77.7160  C     
19   C        36.0848   50.5196  -78.4590  C     
20   C        37.1106   52.6464  -77.8756  C     
21   C        35.9709   53.0066  -77.1192  C     
22   C        33.7686   49.9476  -77.6325  C     
23   C        35.9018   54.3187  -76.4364  C     
24   H        42.1915   50.7682  -79.9429  H     
25   H        40.9309   51.6793  -79.0812  H     
26   H        38.7758   50.0292  -81.9648  H     
27   H        40.3866   49.3505  -82.3311  H     
28   H        42.7490   52.9627  -81.8201  H     
29   H        44.0793   54.9291  -80.5026  H     
30   H        43.2615   55.6149  -79.0831  H     
31   H        41.4889   56.5902  -80.4901  H     
32   H        43.0698   57.0844  -81.1283  H     
33   H        41.5026   56.3575  -82.9557  H     
34   H        42.9520   55.3406  -82.8809  H     
35   H        40.9268   53.9893  -83.1756  H     
36   H        40.1921   54.6445  -81.7190  H     
37   H        41.3420   54.1398  -79.3728  H     
38   H        42.8310   53.1871  -79.3538  H     
39   H        40.7090   49.0288  -80.0846  H     
40   H        38.6788   51.9153  -79.7729  H     
41   H        34.0406   52.3730  -76.5346  H     
42   H        36.1276   49.6279  -78.9549  H     
43   H        37.9096   53.2813  -77.9190  H     
44   H        33.5911   49.6462  -76.5953  H     
45   H        33.9119   49.0476  -78.2329  H     
46   H        32.8831   50.4680  -78.0018  H     
47   H        35.1706   54.9454  -76.9491  H     
48   H        36.8636   54.8368  -76.4431  H     
49   H        35.5954   54.1977  -75.3937  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   18   22 1
    24   20   21 2
    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   19   42 1
    45   20   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8959
  Crash		| -1.4346
  Polar		| 0.8837
  FragIndex	| 1
  FragRMSD	| 1.345