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


@<TRIPOS>ATOM
1    C         7.6884   18.9247   -8.4616  C     
2    C        10.1986   18.7749   -8.2527  C     
3    O        10.4642   19.6372   -9.2689  O     
4    C        11.2912   18.2809   -7.4108  C     
5    C        12.6954   18.0600   -7.9618  C     
6    C        13.8531   17.9548   -7.0953  C     
7    O        14.9407   18.2400   -7.5892  O     
8    N        13.7489   17.5649   -5.8304  N     
9    C        14.8081   17.4473   -4.8717  C     
10   C        14.9598   16.0660   -4.4086  C     
11   O        13.9424   15.5463   -3.9645  O     
12   O        11.7414   16.9892   -7.8471  O     
13   C        18.4246   14.7908   -4.4898  C     
14   C        17.3747   15.8570   -4.8512  C     
15   C        16.1997   13.9990   -3.9130  C     
16   C        17.6048   13.5044   -4.3345  C     
17   N        16.1071   15.3648   -4.3874  N     
18   C        15.9672   13.9048   -2.4554  C     
19   O        15.8530   12.6953   -1.8546  O     
20   O        15.7600   15.0127   -1.7060  O     
21   C         7.3887   20.3616   -7.9953  C     
22   O         8.9227   18.4866   -7.8768  O     
23   H         6.8895   18.2598   -8.1278  H     
24   H         7.7217   18.8950   -9.5529  H     
25   H        11.1704   18.3337   -6.3266  H     
26   H        12.8426   18.3994   -8.9881  H     
27   H        12.8560   17.3451   -5.5114  H     
28   H        15.7492   17.8466   -5.2598  H     
29   H        14.5367   18.0565   -4.0047  H     
30   H        19.1999   14.6959   -5.2619  H     
31   H        18.9078   15.0418   -3.5350  H     
32   H        17.6477   16.7965   -4.3648  H     
33   H        17.3389   16.0020   -5.9343  H     
34   H        15.4614   13.3794   -4.4340  H     
35   H        17.5494   12.9978   -5.3024  H     
36   H        18.0686   12.8231   -3.6122  H     
37   H         7.3244   20.3922   -6.9057  H     
38   H         6.4412   20.7081   -8.4128  H     
39   H         8.1834   21.0350   -8.3255  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	| 3.3730
  Crash		| -0.9334
  Polar		| 3.2882
  FragIndex	| 1
  FragRMSD	| 0.284