@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.6042   19.4518   -8.6971  C     
2    C         8.9647   18.9507   -8.2653  C     
3    O         9.3819   19.9304   -8.8608  O     
4    C         9.9264   18.0945   -7.6391  C     
5    C        11.2521   17.8463   -8.3432  C     
6    C        12.3791   17.3801   -7.5901  C     
7    O        12.7195   16.2134   -7.7251  O     
8    N        13.0044   18.2220   -6.7722  N     
9    C        14.1395   17.9254   -5.9233  C     
10   C        13.9617   16.6255   -5.2412  C     
11   O        12.8383   16.4076   -4.8084  O     
12   C        14.4342   19.1474   -4.9500  C     
13   C        14.7480   18.7781   -3.4666  C     
14   O        10.1688   16.9022   -8.3944  O     
15   N         7.6708   18.6739   -8.1515  N     
16   C         5.8031   18.7123   -9.7091  C     
17   C         4.4074   18.9300   -9.8008  C     
18   C         6.4154   17.8515  -10.6579  C     
19   C         5.6430   17.1889  -11.6295  C     
20   C         4.2488   17.3998  -11.6856  C     
21   C         3.6381   18.2838  -10.7847  C     
22   C        15.5638   20.0581   -5.5466  C     
23   C        16.0294   21.2490   -4.6781  C     
24   C        16.6814   14.2583   -5.6647  C     
25   C        16.1958   15.7128   -5.6974  C     
26   C        14.7706   14.5384   -4.1768  C     
27   C        16.0994   13.7385   -4.3533  C     
28   N        14.9170   15.6970   -5.0367  N     
29   C        14.4672   14.8446   -2.7445  C     
30   O        14.9472   14.0880   -1.7231  O     
31   O        13.4965   15.7318   -2.4090  O     
32   H         5.9696   19.7407   -7.8535  H     
33   H         6.9508   20.3723   -9.1750  H     
34   H         9.8533   17.8914   -6.5724  H     
35   H        11.4296   18.3514   -9.2961  H     
36   H        12.6854   19.1405   -6.7790  H     
37   H        14.9755   17.8390   -6.6139  H     
38   H        13.5345   19.7689   -4.8963  H     
39   H        13.9550   18.1539   -3.0484  H     
40   H        14.8173   19.6716   -2.8449  H     
41   H        15.6972   18.2399   -3.3856  H     
42   H         7.4289   17.8790   -7.6540  H     
43   H         3.9447   19.5788   -9.1557  H     
44   H         7.4290   17.7038  -10.6530  H     
45   H         6.0877   16.5534  -12.2917  H     
46   H         3.6873   16.9174  -12.3887  H     
47   H         2.6316   18.4619  -10.8434  H     
48   H        16.4371   19.4390   -5.7664  H     
49   H        15.2071   20.4691   -6.4954  H     
50   H        15.1755   21.8649   -4.3815  H     
51   H        16.7256   21.8661   -5.2472  H     
52   H        16.5499   20.9138   -3.7830  H     
53   H        16.2558   13.6951   -6.5071  H     
54   H        17.7727   14.1920   -5.6982  H     
55   H        16.8867   16.3727   -5.1571  H     
56   H        16.1474   16.0169   -6.7436  H     
57   H        13.9607   13.9185   -4.5753  H     
58   H        15.9251   12.6550   -4.3960  H     
59   H        16.8204   13.9508   -3.5622  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2630
  Crash		| -1.6255
  Polar		| 1.9439
  FragIndex	| 1
  FragRMSD	| 1.067