@<TRIPOS>MOLECULE
BindingDB_24132
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.1416   79.6034   46.9961  C     
2    C        23.4240   79.5476   45.7872  C     
3    C        22.3723   80.4437   45.5513  C     
4    C        22.0275   81.3885   46.5256  C     
5    C        23.8515   80.5871   47.9678  C     
6    C        22.7681   81.4792   47.7258  C     
7    C        24.5893   80.6872   49.2704  C     
8    C        22.3978   82.5104   48.7278  C     
9    C        24.6705   82.1886   49.6925  C     
10   N        23.3827   82.8455   49.7478  N     
11   C        25.9833   80.1182   49.3408  C     
12   C        28.6953   79.3441   49.6603  C     
13   C        28.2941   80.0401   48.5045  C     
14   C        26.9537   80.4342   48.3615  C     
15   C        26.4036   79.3907   50.4875  C     
16   C        27.7539   79.0134   50.6448  C     
17   C        23.0814   83.7490   50.7035  C     
18   O        21.8943   83.8485   51.0101  O     
19   N        23.9386   84.5905   51.3273  N     
20   C        25.1375   85.0877   50.6791  C     
21   C        23.6138   85.2076   52.6017  C     
22   O        28.1977   78.4184   51.7763  O     
23   H        24.8751   78.9100   47.1593  H     
24   H        23.6561   78.8447   45.0909  H     
25   H        21.8371   80.3862   44.6807  H     
26   H        21.2246   82.0037   46.3585  H     
27   H        23.9458   80.1858   50.0000  H     
28   H        22.1738   83.4350   48.1877  H     
29   H        21.4689   82.1780   49.1969  H     
30   H        25.1618   82.2436   50.6678  H     
31   H        25.2850   82.7319   48.9666  H     
32   H        29.6790   79.0876   49.7730  H     
33   H        28.9820   80.2960   47.7971  H     
34   H        26.6870   80.9817   47.5394  H     
35   H        25.7392   79.1754   51.2373  H     
36   H        25.9085   84.3230   50.6092  H     
37   H        25.5965   85.9226   51.2284  H     
38   H        24.8971   85.4570   49.6739  H     
39   H        23.4054   86.2722   52.4562  H     
40   H        24.4606   85.1083   53.2930  H     
41   H        22.7506   84.7522   53.0949  H     
42   H        27.5094   77.7728   52.0324  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    4    6 1
     6    5    6 2
     7    5    7 1
     8    6    8 1
     9    7    9 1
    10    7   11 1
    11    8   10 1
    12    9   10 1
    13   10   17 1
    14   11   14 2
    15   11   15 1
    16   12   13 2
    17   12   16 1
    18   13   14 1
    19   15   16 2
    20   16   22 1
    21   17   18 2
    22   17   19 am
    23   19   20 1
    24   19   21 1
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   13   33 1
    36   14   34 1
    37   15   35 1
    38   20   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6117
  Crash		| -1.2694
  Polar		| 1.2679
  FragIndex	| 1
  FragRMSD	| 1.095