@<TRIPOS>MOLECULE
BindingDB_24129
 48 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.8045   79.7079   46.6716  C     
2    C        23.2449   79.9754   45.4237  C     
3    C        22.3455   81.0483   45.2334  C     
4    C        22.0839   81.9237   46.3313  C     
5    C        23.5145   80.5308   47.7772  C     
6    C        22.7200   81.7035   47.5963  C     
7    C        23.9608   80.0787   49.1398  C     
8    C        22.5279   82.6275   48.7676  C     
9    C        23.2756   80.8800   50.2923  C     
10   N        23.2865   82.2912   49.9644  N     
11   C        21.1604   83.0968   46.1774  C     
12   C        21.7273   81.2000   43.8897  C     
13   C        25.4446   79.9879   49.3598  C     
14   C        28.2379   79.7811   49.9314  C     
15   C        27.3033   79.0401   50.6736  C     
16   C        25.9332   79.1349   50.3809  C     
17   C        26.3996   80.7427   48.6287  C     
18   C        27.7797   80.6314   48.9046  C     
19   C        23.7219   83.2365   50.8136  C     
20   O        23.6722   82.9785   52.0192  O     
21   N        24.1839   84.4493   50.4480  N     
22   C        25.1266   84.5538   49.3339  C     
23   C        24.1167   85.5713   51.3658  C     
24   O        29.5538   79.6880   50.2601  O     
25   H        24.3980   78.8878   46.7872  H     
26   H        23.4793   79.3548   44.6525  H     
27   H        23.5662   79.0593   49.2289  H     
28   H        22.7262   83.6674   48.4595  H     
29   H        21.4639   82.5814   49.0402  H     
30   H        22.2393   80.5446   50.4100  H     
31   H        23.7685   80.6567   51.2489  H     
32   H        21.7202   84.0185   46.3533  H     
33   H        20.3352   83.0395   46.8989  H     
34   H        20.7103   83.1894   45.1907  H     
35   H        22.0581   80.4410   43.1790  H     
36   H        21.9960   82.1695   43.4662  H     
37   H        20.6386   81.1289   43.9586  H     
38   H        27.6151   78.4386   51.4305  H     
39   H        25.2764   78.5776   50.9361  H     
40   H        26.1081   81.3847   47.8924  H     
41   H        28.4530   81.1948   48.3680  H     
42   H        25.8407   83.7263   49.3675  H     
43   H        25.7117   85.4830   49.3714  H     
44   H        24.6246   84.5203   48.3547  H     
45   H        23.2826   85.4698   52.0618  H     
46   H        23.9710   86.5077   50.8311  H     
47   H        25.0387   85.6396   51.9468  H     
48   H        30.0041   79.3190   49.4696  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    3    4 2
     5    3   12 1
     6    4    6 1
     7    4   11 1
     8    5    6 2
     9    5    7 1
    10    6    8 1
    11    7    9 1
    12    7   13 1
    13    8   10 1
    14    9   10 1
    15   10   19 am
    16   13   16 2
    17   13   17 1
    18   14   15 2
    19   14   18 1
    20   14   24 1
    21   15   16 1
    22   17   18 2
    23   19   20 2
    24   19   21 am
    25   21   22 1
    26   21   23 1
    27    1   25 1
    28    2   26 1
    29    7   27 1
    30    8   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   11   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   12   37 1
    40   15   38 1
    41   16   39 1
    42   17   40 1
    43   18   41 1
    44   22   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   23   46 1
    49   23   47 1
    50   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3626
  Crash		| -0.7337
  Polar		| 0.1068
  FragIndex	| 1
  FragRMSD	| 0.237