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


@<TRIPOS>ATOM
1    C        15.8265   20.3237   -5.4562  C     
2    C        14.3247   18.8079   -6.7270  C     
3    O        15.1518   18.7458   -7.7883  O     
4    C        13.0855   18.0206   -6.7543  C     
5    C        11.8216   18.6471   -6.1646  C     
6    C        10.4911   18.2410   -6.5246  C     
7    O        10.2531   17.0521   -6.7215  O     
8    N         9.5305   19.1647   -6.5539  N     
9    C         8.1342   18.9505   -6.7997  C     
10   C         7.8482   18.3097   -8.0833  C     
11   O         8.4687   17.2842   -8.3100  O     
12   O        12.5732   17.6244   -5.4820  O     
13   C         5.5735   18.6787  -10.9598  C     
14   C         6.7498   17.9999  -10.2377  C     
15   C         6.0334   19.8379   -8.8815  C     
16   C         5.5044   20.0608  -10.3104  C     
17   N         6.9250   18.7059   -8.9903  N     
18   C         4.9074   19.6255   -7.9396  C     
19   O         3.9160   20.5482   -7.8678  O     
20   O         4.8400   18.5431   -7.1189  O     
21   C        15.6597   21.2384   -4.2280  C     
22   O        14.6345   19.5609   -5.6365  O     
23   H        16.0152   20.9396   -6.3352  H     
24   H        16.6723   19.6524   -5.3006  H     
25   H        12.9159   17.3054   -7.5659  H     
26   H        11.9579   19.6167   -5.6621  H     
27   H         9.8014   20.0750   -6.3205  H     
28   H         7.7174   18.3481   -5.9844  H     
29   H         7.6569   19.9226   -6.7314  H     
30   H         5.7539   18.7518  -12.0361  H     
31   H         4.6515   18.1190  -10.7839  H     
32   H         6.5298   16.9465  -10.0568  H     
33   H         7.6564   18.0829  -10.8334  H     
34   H         6.5819   20.7422   -8.5757  H     
35   H         6.1567   20.7542  -10.8420  H     
36   H         4.4837   20.4645  -10.3493  H     
37   H        14.8481   21.9459   -4.3911  H     
38   H        16.5860   21.7946   -4.0477  H     
39   H        15.4337   20.6374   -3.3392  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	| 4.5880
  Crash		| -1.8443
  Polar		| 2.6826
  FragIndex	| 1
  FragRMSD	| 0.875