@<TRIPOS>MOLECULE
BindingDB_5589
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.1848   45.3799   51.7627  C     
2    C         7.7922   43.7967   50.0702  C     
3    C         9.4765   45.1944   51.0023  C     
4    C         8.5292   45.7996   51.8551  C     
5    N         6.8756   44.3916   50.8829  N     
6    N         9.0885   44.2179   50.1384  N     
7    N         7.4798   42.8178   49.1913  N     
8    C         6.2929   42.1806   48.9416  C     
9    C         5.1420   42.1943   49.7715  C     
10   C         3.9983   41.4465   49.4412  C     
11   C         3.9553   40.6389   48.2774  C     
12   C         5.1073   40.6372   47.4476  C     
13   C         6.2503   41.3838   47.7804  C     
14   O         6.2749   45.9681   52.6090  O     
15   C         4.9022   46.0608   52.1589  C     
16   C         4.0872   46.9038   53.1853  C     
17   C         2.6189   47.1938   52.7203  C     
18   C         1.6357   46.0214   52.9684  C     
19   C         1.6756   45.5426   54.4427  C     
20   C         3.1169   45.1521   54.8589  C     
21   C         4.1060   46.3259   54.6392  C     
22   N        10.7635   45.5899   51.0484  N     
23   C         2.8338   39.8670   47.9528  C     
24   O         2.8240   39.1434   46.9660  O     
25   N         1.7174   39.8523   48.6527  N     
26   H         8.8070   46.5277   52.5209  H     
27   H         8.2170   42.5102   48.6444  H     
28   H         5.1219   42.7215   50.6412  H     
29   H         3.2009   41.4854   50.0847  H     
30   H         5.1283   40.0791   46.5937  H     
31   H         7.0562   41.3388   47.1563  H     
32   H         4.8675   46.5552   51.1742  H     
33   H         4.4588   45.0597   52.0636  H     
34   H         4.5877   47.8766   53.2301  H     
35   H         2.2447   48.0674   53.2677  H     
36   H         2.6016   47.4567   51.6584  H     
37   H         0.6180   46.3435   52.7274  H     
38   H         1.8885   45.1874   52.3081  H     
39   H         1.3121   46.3438   55.0942  H     
40   H         1.0141   44.6834   54.5644  H     
41   H         3.1200   44.8619   55.9126  H     
42   H         3.4400   44.2821   54.2763  H     
43   H         5.1137   45.9901   54.8993  H     
44   H         3.8447   47.1224   55.3400  H     
45   H        11.4226   45.1804   50.4642  H     
46   H        11.0332   46.2949   51.6708  H     
47   H         0.9716   39.3024   48.3609  H     
48   H         1.6260   40.4015   49.4440  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   14 1
     4    2    5 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    3    6 1
     9    3   22 1
    10    7    8 1
    11    8    9 2
    12    8   13 1
    13    9   10 1
    14   10   11 2
    15   11   12 1
    16   11   23 1
    17   12   13 2
    18   14   15 1
    19   15   16 1
    20   16   17 1
    21   16   21 1
    22   17   18 1
    23   18   19 1
    24   19   20 1
    25   20   21 1
    26   23   24 2
    27   23   25 am
    28    4   26 1
    29    7   27 1
    30    9   28 1
    31   10   29 1
    32   12   30 1
    33   13   31 1
    34   15   32 1
    35   15   33 1
    36   16   34 1
    37   17   35 1
    38   17   36 1
    39   18   37 1
    40   18   38 1
    41   19   39 1
    42   19   40 1
    43   20   41 1
    44   20   42 1
    45   21   43 1
    46   21   44 1
    47   22   45 1
    48   22   46 1
    49   25   47 1
    50   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6446
  Crash		| -0.3779
  Polar		| 3.7275
  FragIndex	| 1
  FragRMSD	| 0.524