@<TRIPOS>MOLECULE
BindingDB_6623
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2819    8.5737   24.0122  C     
2    C         8.6598    8.4685   24.1510  C     
3    C         9.1852    8.5291   22.8704  C     
4    N         8.1288    8.6413   22.0339  N     
5    N         7.0104    8.6614   22.6921  N     
6    N         6.4437    8.6214   25.0735  N     
7    C         5.1244    8.6997   25.0440  C     
8    O         4.5128    8.5499   23.9944  O     
9    N         4.3431    8.8716   26.0948  N     
10   C         4.5265    9.1975   27.4156  C     
11   C         4.3906    9.9044   30.1930  C     
12   C         3.3850    9.1259   29.6012  C     
13   C         3.4525    8.7815   28.2413  C     
14   C         5.4660   10.3147   29.3920  C     
15   C         5.5527    9.9795   28.0317  C     
16   C         6.5082   11.1166   29.7328  C     
17   C         6.8092   10.5764   27.5401  C     
18   C         7.9737   12.5923   26.8890  C     
19   C         8.1274   12.3970   28.4101  C     
20   C         6.7788   11.7001   26.4874  C     
21   N         7.2758   11.2868   28.6777  N     
22   O         6.6397   11.6882   30.8068  O     
23   C        10.6129    8.4552   22.4953  C     
24   N        11.3982    9.4704   23.2447  N     
25   C        13.5679    8.1444   23.2722  C     
26   C        13.2919   10.1736   21.7233  C     
27   C        12.8908    9.5443   23.0982  C     
28   C        13.3837   10.4929   24.2384  C     
29   H         9.1916    8.3796   25.0306  H     
30   H         8.1946    8.6970   21.0671  H     
31   H         6.8642    8.6342   25.9411  H     
32   H         3.4100    8.7256   25.8706  H     
33   H         4.3244   10.1775   31.1770  H     
34   H         2.5846    8.8306   30.1577  H     
35   H         2.6800    8.2244   27.8572  H     
36   H         7.5301    9.7813   27.3066  H     
37   H         7.7914   13.6387   26.6319  H     
38   H         8.8802   12.2592   26.3781  H     
39   H         9.1554   12.1705   28.6886  H     
40   H         7.7955   13.2914   28.9377  H     
41   H         6.9073   11.3184   25.4772  H     
42   H         5.8419   12.2577   26.5476  H     
43   H        10.9840    7.4548   22.7445  H     
44   H        10.7039    8.6230   21.4167  H     
45   H        11.0289   10.3964   22.9668  H     
46   H        11.1910    9.3130   24.2461  H     
47   H        13.2318    7.6668   24.2004  H     
48   H        14.6600    8.2435   23.3062  H     
49   H        13.3239    7.4877   22.4356  H     
50   H        12.9974    9.5255   20.8901  H     
51   H        14.3811   10.3237   21.6667  H     
52   H        12.7993   11.1465   21.5956  H     
53   H        12.9296   11.4873   24.1447  H     
54   H        14.4711   10.6228   24.1959  H     
55   H        13.1177   10.0848   25.2205  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    4 1
     6    3   23 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 am
    11    9   10 1
    12   10   13 2
    13   10   15 1
    14   11   12 2
    15   11   14 1
    16   12   13 1
    17   14   15 2
    18   14   16 1
    19   15   17 1
    20   16   21 1
    21   16   22 2
    22   17   20 1
    23   17   21 1
    24   18   19 1
    25   18   20 1
    26   19   21 1
    27   23   24 1
    28   24   27 1
    29   25   27 1
    30   26   27 1
    31   27   28 1
    32    2   29 1
    33    4   30 1
    34    6   31 1
    35    9   32 1
    36   11   33 1
    37   12   34 1
    38   13   35 1
    39   17   36 1
    40   18   37 1
    41   18   38 1
    42   19   39 1
    43   19   40 1
    44   20   41 1
    45   20   42 1
    46   23   43 1
    47   23   44 1
    48   24   45 1
    49   24   46 1
    50   25   47 1
    51   25   48 1
    52   25   49 1
    53   26   50 1
    54   26   51 1
    55   26   52 1
    56   28   53 1
    57   28   54 1
    58   28   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8028
  Crash		| -2.2089
  Polar		| 3.5587
  FragIndex	| 1
  FragRMSD	| 1.096