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


@<TRIPOS>ATOM
1    C        14.5924   19.0267   -4.9395  C     
2    C        13.3229   18.2968   -6.9845  C     
3    O        14.4198   18.2670   -7.7753  O     
4    C        12.0035   18.0088   -7.5794  C     
5    C        10.8074   18.7582   -7.0028  C     
6    C         9.6027   19.0028   -7.7506  C     
7    O         9.6973   19.2563   -8.9494  O     
8    N         8.4407   19.0383   -7.1138  N     
9    C         7.1549   19.2630   -7.7150  C     
10   C         6.7648   18.2283   -8.6758  C     
11   O         7.2485   17.1150   -8.4759  O     
12   O        11.0269   17.3598   -6.7593  O     
13   C         4.4993   17.8021  -11.5305  C     
14   C         5.6402   17.3156  -10.6279  C     
15   C         5.1793   19.5823  -10.0235  C     
16   C         4.5983   19.3249  -11.4334  C     
17   N         5.9081   18.3794   -9.6940  N     
18   C         4.1176   19.8697   -9.0293  C     
19   O         3.7747   21.1409   -8.7318  O     
20   O         3.3667   18.8787   -8.5016  O     
21   C        15.0433   20.4641   -5.2761  C     
22   O        13.4229   18.6350   -5.6693  O     
23   H        15.4080   18.3241   -5.1257  H     
24   H        14.3439   18.9826   -3.8776  H     
25   H        11.9353   17.7713   -8.6439  H     
26   H        10.9511   19.3323   -6.0853  H     
27   H         8.4577   18.8810   -6.1551  H     
28   H         6.4090   19.2762   -6.9157  H     
29   H         7.1637   20.2512   -8.1759  H     
30   H         4.6163   17.4512  -12.5549  H     
31   H         3.5342   17.4637  -11.1441  H     
32   H         5.3374   16.3958  -10.1202  H     
33   H         6.5375   17.1193  -11.2217  H     
34   H         5.8568   20.4413  -10.0957  H     
35   H         5.2987   19.6887  -12.1912  H     
36   H         3.6255   19.7957  -11.6021  H     
37   H        15.2777   20.5567   -6.3382  H     
38   H        15.9355   20.7190   -4.6993  H     
39   H        14.2498   21.1731   -5.0273  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	| 4.9419
  Crash		| -1.7536
  Polar		| 3.8692
  FragIndex	| 1
  FragRMSD	| 1.002