@<TRIPOS>MOLECULE
BindingDB_50292715
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        35.9301   -3.4631   13.5103  C     
2    C        36.4360   -2.2303   13.3127  C     
3    N        35.9732   -1.4098   12.3132  N     
4    C        35.0033   -1.8958   11.4987  C     
5    N        34.5097   -3.1233   11.6927  N     
6    C        34.9426   -3.8981   12.6815  C     
7    O        34.4437   -5.0033   12.8350  O     
8    O        34.5344   -1.2645   10.5589  O     
9    C        36.5932   -0.1013   12.1127  C     
10   O        37.9938   -0.3097   11.8551  O     
11   C        38.7514    0.7883   12.3856  C     
12   C        37.7615    1.7319   13.1403  C     
13   C        36.4983    0.8697   13.3146  C     
14   O        35.2914    1.6426   13.3714  O     
15   O        37.4870    2.9098   12.3736  O     
16   C        39.9010    0.2388   13.2907  C     
17   N        40.8100   -0.8080   12.7224  N     
18   C        40.2388   -2.1877   12.7199  C     
19   C        41.2909   -3.2590   12.2914  C     
20   C        41.9208   -2.9225   10.9124  C     
21   C        42.4950   -1.4725   10.9519  C     
22   C        41.4171   -0.4389   11.4019  C     
23   C        42.9028   -3.9556   10.4972  C     
24   O        42.5144   -5.2623   10.4736  O     
25   O        44.1597   -3.6183   10.1061  O     
26   C        43.2943   -6.4225   10.1319  C     
27   C        42.9673   -6.9014    8.7052  C     
28   H        36.2852   -4.0434   14.2403  H     
29   H        37.1727   -1.9316   13.9019  H     
30   H        33.8160   -3.4525   11.1012  H     
31   H        36.1766    0.4149   11.2431  H     
32   H        39.1886    1.3296   11.5391  H     
33   H        38.1473    2.0442   14.1142  H     
34   H        36.5806    0.3249   14.2594  H     
35   H        35.0820    1.9147   12.4539  H     
36   H        36.9954    3.5035   12.9935  H     
37   H        40.5154    1.1049   13.5721  H     
38   H        39.4596   -0.1253   14.2141  H     
39   H        41.5959   -0.8596   13.3747  H     
40   H        39.9002   -2.4498   13.7280  H     
41   H        39.3711   -2.2420   12.0472  H     
42   H        42.0765   -3.3060   13.0579  H     
43   H        40.8074   -4.2409   12.2512  H     
44   H        41.1243   -2.9362   10.1615  H     
45   H        43.3362   -1.4231   11.6516  H     
46   H        42.8611   -1.1977    9.9593  H     
47   H        40.6463   -0.3666   10.6364  H     
48   H        41.9088    0.5337   11.4847  H     
49   H        44.3640   -6.2100   10.2021  H     
50   H        43.0545   -7.2149   10.8402  H     
51   H        41.9205   -7.2071    8.6386  H     
52   H        43.5965   -7.7591    8.4510  H     
53   H        43.1523   -6.1047    7.9880  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   22 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24   20   23 1
    25   21   22 1
    26   23   24 1
    27   23   25 2
    28   24   26 1
    29   26   27 1
    30    1   28 1
    31    2   29 1
    32    5   30 1
    33    9   31 1
    34   11   32 1
    35   12   33 1
    36   13   34 1
    37   14   35 1
    38   15   36 1
    39   16   37 1
    40   16   38 1
    41   17   39 1
    42   18   40 1
    43   18   41 1
    44   19   42 1
    45   19   43 1
    46   20   44 1
    47   21   45 1
    48   21   46 1
    49   22   47 1
    50   22   48 1
    51   26   49 1
    52   26   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7992
  Crash		| -0.5776
  Polar		| 5.0515
  FragIndex	| 1
  FragRMSD	| 0.621