@<TRIPOS>MOLECULE
BindingDB_15252
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3958   11.0318  -19.7668  C     
2    O        -3.9051   11.5310  -20.7784  O     
3    N        -3.7069   10.1743  -19.0042  N     
4    N        -5.6653   11.3525  -19.5936  N     
5    C        -2.3953    9.7626  -19.1301  C     
6    C        -1.4076   10.5012  -19.8372  C     
7    C        -1.9904    8.5775  -18.4506  C     
8    C        -0.0792   10.0663  -19.9589  C     
9    C        -0.6168    8.1806  -18.5260  C     
10   C         0.3326    8.8932  -19.2984  C     
11   Cl        1.0131   10.9903  -20.8920  Cl    
12   N        -6.3283   10.3704  -17.4716  N     
13   N        -8.8796   11.1000  -17.9975  N     
14   C        -6.5886   10.9885  -18.6561  C     
15   C        -8.6150   10.4982  -16.8169  C     
16   C        -7.9154   11.3510  -18.9192  C     
17   C        -7.2866   10.1012  -16.5344  C     
18   O        -7.0301    9.5581  -15.2966  O     
19   O        -2.9623    7.8856  -17.7325  O     
20   C        -2.6219    6.6133  -17.1339  C     
21   C        -5.6394    7.5810  -15.8444  C     
22   C        -5.7930    8.8842  -15.0234  C     
23   C        -3.8052    5.8760  -16.4636  C     
24   C        -4.4841    6.6847  -15.3245  C     
25   C        -9.5987   10.3604  -15.9818  C     
26   N       -10.4761   10.2520  -15.2461  N     
27   O         1.6539    8.5298  -19.2715  O     
28   C         1.9369    7.1355  -19.4369  C     
29   C         2.8129    6.6487  -18.2558  C     
30   C         2.2890    7.1211  -16.8715  C     
31   O         2.7570    8.4328  -16.5872  O     
32   H        -4.2298    9.7462  -18.2935  H     
33   H        -6.0128   11.9542  -20.2737  H     
34   H        -1.6261   11.4224  -20.2133  H     
35   H        -0.2668    7.3184  -18.0407  H     
36   H        -8.1911   11.8332  -19.7897  H     
37   H        -2.2297    5.9572  -17.9215  H     
38   H        -1.8419    6.7545  -16.3791  H     
39   H        -6.5761    7.0191  -15.8028  H     
40   H        -5.4694    7.8582  -16.8898  H     
41   H        -4.9440    9.5484  -15.2044  H     
42   H        -5.8008    8.6342  -13.9610  H     
43   H        -4.5439    5.5913  -17.2144  H     
44   H        -3.4118    4.9532  -16.0317  H     
45   H        -3.7209    7.2870  -14.8111  H     
46   H        -4.8900    5.9932  -14.5841  H     
47   H         1.0456    6.5047  -19.4990  H     
48   H         2.5044    7.0156  -20.3680  H     
49   H         2.8075    5.5508  -18.2663  H     
50   H         3.8410    6.9829  -18.4043  H     
51   H         1.1679    7.1400  -16.8691  H     
52   H         2.6675    6.4523  -16.0899  H     
53   H         3.6977    8.3152  -16.2799  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32   29   30 1
    33   30   31 1
    34    3   32 1
    35    4   33 1
    36    6   34 1
    37    9   35 1
    38   16   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   28   47 1
    50   28   48 1
    51   29   49 1
    52   29   50 1
    53   30   51 1
    54   30   52 1
    55   31   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8036
  Crash		| -2.7882
  Polar		| 3.9199
  FragIndex	| 1
  FragRMSD	| 0.858