@<TRIPOS>MOLECULE
BindingDB_50260339
 35 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.8305    7.4452   18.5242  C     
2    C         4.1354    6.4124   17.6222  C     
3    N         3.0616    5.6272   17.4420  N     
4    C         5.4093    6.3177   17.0440  C     
5    C         6.4120    7.2516   17.3558  C     
6    N         5.8798    5.4142   16.1692  N     
7    C         6.1179    8.2897   18.2759  C     
8    C         4.8366    8.3888   18.8497  C     
9    C         4.8669    9.4878   19.6635  C     
10   N         6.0716   10.0037   19.6082  N     
11   C         6.8458    9.3217   18.7998  C     
12   C         2.4973    7.2391   18.8875  C     
13   C         2.0590    6.1033   18.1934  C     
14   C         0.7486    5.6168   18.3241  C     
15   C        -0.1178    6.3068   19.1930  C     
16   N         0.3255    7.4067   19.8637  N     
17   C         1.5909    7.8929   19.7457  C     
18   C         7.1545    5.7196   15.8901  C     
19   C         7.5247    6.8675   16.6047  C     
20   C         8.8250    7.3865   16.4573  C     
21   C         8.0545    5.0585   15.0359  C     
22   O         3.9692    9.9717   20.3322  O     
23   O         8.0135    9.6134   18.6034  O     
24   C         9.3626    5.5685   14.9124  C     
25   C         9.7455    6.7290   15.6163  C     
26   H         3.0183    4.8469   16.8654  H     
27   H         5.3807    4.6661   15.8032  H     
28   H         6.3516   10.7905   20.0930  H     
29   H         0.4362    4.7907   17.8112  H     
30   H        -1.0792    5.9903   19.3240  H     
31   H         1.8547    8.7185   20.2798  H     
32   H         9.1110    8.2267   16.9445  H     
33   H         7.7677    4.2211   14.5218  H     
34   H        10.0378    5.0950   14.3141  H     
35   H        10.6969    7.0937   15.5194  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    1   12 1
     4    2    3 1
     5    2    4 1
     6    3   13 1
     7    4    5 2
     8    4    6 1
     9    5    7 1
    10    5   19 1
    11    6   18 1
    12    7    8 2
    13    7   11 1
    14    8    9 1
    15    9   10 1
    16    9   22 2
    17   10   11 1
    18   11   23 2
    19   12   13 2
    20   12   17 1
    21   13   14 1
    22   14   15 2
    23   15   16 1
    24   16   17 2
    25   18   19 2
    26   18   21 1
    27   19   20 1
    28   20   25 2
    29   21   24 2
    30   24   25 1
    31    3   26 1
    32    6   27 1
    33   10   28 1
    34   14   29 1
    35   15   30 1
    36   17   31 1
    37   20   32 1
    38   21   33 1
    39   24   34 1
    40   25   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8199
  Crash		| -0.3323
  Polar		| 2.0355
  FragIndex	| 1
  FragRMSD	| 0.213