@<TRIPOS>MOLECULE
BindingDB_16506
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.3971   17.1607   -5.0639  C     
2    C        14.2796   17.2026   -6.3903  C     
3    O        14.7489   18.0165   -7.3685  O     
4    C        12.8820   16.7767   -6.4541  C     
5    C        11.8150   17.8466   -6.3390  C     
6    C        10.4659   17.6161   -6.7913  C     
7    O        10.2926   17.0211   -7.8421  O     
8    N         9.4665   18.0805   -6.0589  N     
9    C         8.0709   17.8597   -6.2925  C     
10   C         7.4567   18.7998   -7.2336  C     
11   O         7.4390   19.9643   -6.8586  O     
12   O        12.1620   16.9839   -5.2406  O     
13   C         6.6444   17.4817  -10.5257  C     
14   C         7.0118   17.2226   -9.0571  C     
15   C         6.0379   19.4075   -9.1623  C     
16   C         5.6199   18.6134  -10.4292  C     
17   N         6.8538   18.4868   -8.3940  N     
18   C         4.8262   19.9386   -8.4658  C     
19   O         4.4352   19.4940   -7.2440  O     
20   O         4.0407   20.8778   -9.0572  O     
21   C        17.3674   16.0566   -5.5048  C     
22   O        15.0489   16.7850   -5.3544  O     
23   H        16.4741   17.3095   -3.9861  H     
24   H        16.6572   18.0985   -5.5523  H     
25   H        12.6205   15.8446   -6.9634  H     
26   H        12.1221   18.8722   -6.1284  H     
27   H         9.7113   18.5553   -5.2454  H     
28   H         7.9254   16.8188   -6.5852  H     
29   H         7.5695   17.9805   -5.3238  H     
30   H         7.5234   17.8244  -11.0843  H     
31   H         6.2274   16.5895  -11.0030  H     
32   H         6.3414   16.4750   -8.6193  H     
33   H         8.0384   16.8574   -9.0191  H     
34   H         6.6490   20.2628   -9.4715  H     
35   H         5.6249   19.2434  -11.3258  H     
36   H         4.6214   18.1703  -10.3271  H     
37   H        17.1496   15.1245   -4.9782  H     
38   H        18.3946   16.3525   -5.2812  H     
39   H        17.2805   15.8969   -6.5817  H     
@<TRIPOS>BOND
     1    1   21 1
     2    1   22 1
     3    2    3 2
     4    4    2 1
     5    2   22 1
     6    4    5 1
     7    4   12 1
     8    5    6 1
     9    5   12 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14   10   11 2
    15   10   17 am
    16   13   14 1
    17   13   16 1
    18   14   17 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   18   19 2
    23   18   20 1
    24    1   23 1
    25    1   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    9   28 1
    30    9   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8521
  Crash		| -0.5079
  Polar		| 3.3280
  FragIndex	| 1
  FragRMSD	| 0.716