@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.1303   18.3558   -6.2247  C     
2    C        13.1442   18.2731   -7.6936  C     
3    O        13.6430   18.9787   -8.5671  O     
4    C        11.7788   17.8503   -7.8881  C     
5    C        10.6888   18.6131   -7.1425  C     
6    C         9.3498   18.6660   -7.6796  C     
7    O         9.1967   19.0471   -8.8355  O     
8    N         8.3185   18.3506   -6.9013  N     
9    C         6.9706   18.1085   -7.3418  C     
10   C         6.4708   19.1005   -8.3048  C     
11   O         6.6177   20.2723   -7.9915  O     
12   C         5.9896   17.9219   -6.1147  C     
13   C         6.4943   16.8287   -5.1264  C     
14   C         5.6429   19.2738   -5.3960  C     
15   C         4.9243   19.2011   -4.0271  C     
16   O        11.0864   17.2849   -6.7643  O     
17   C         4.9888   17.6679  -11.3831  C     
18   C         5.7744   17.5244  -10.0599  C     
19   C         5.1361   19.8135  -10.2545  C     
20   C         5.0477   19.1706  -11.6639  C     
21   N         5.8168   18.8212   -9.4515  N     
22   C         3.8279   20.1406   -9.6298  C     
23   O         3.7995   20.7437   -8.4207  O     
24   O         2.6389   19.8308  -10.2097  O     
25   N        13.8248   17.9073   -6.6092  N     
26   C        15.1152   18.9334   -4.7852  C     
27   C        14.3555   20.2792   -4.6711  C     
28   H        15.8026   17.4945   -6.2519  H     
29   H        15.5347   19.1106   -6.9009  H     
30   H        11.4987   17.4092   -8.8467  H     
31   H        10.9719   19.3325   -6.3702  H     
32   H         8.5149   18.1521   -5.9732  H     
33   H         7.0129   17.1385   -7.8313  H     
34   H         5.0368   17.5320   -6.5105  H     
35   H         6.7575   15.9175   -5.6691  H     
36   H         5.7187   16.5636   -4.4018  H     
37   H         7.3762   17.1769   -4.5756  H     
38   H         6.5512   19.8799   -5.2872  H     
39   H         4.9542   19.8345   -6.0438  H     
40   H         4.1028   18.4792   -4.0477  H     
41   H         4.5249   20.1821   -3.7627  H     
42   H         5.6459   18.9119   -3.2512  H     
43   H         5.4480   17.0889  -12.1959  H     
44   H         3.9496   17.3456  -11.2530  H     
45   H         5.2719   16.7958   -9.4106  H     
46   H         6.7934   17.1779  -10.2770  H     
47   H         5.7162   20.7392  -10.3599  H     
48   H         5.9637   19.3929  -12.2193  H     
49   H         4.1844   19.5099  -12.2510  H     
50   H        13.3722   17.3084   -5.9932  H     
51   H        14.6530   18.2090   -4.1101  H     
52   H        16.1457   19.0898   -4.4588  H     
53   H        14.8080   21.0251   -5.3332  H     
54   H        14.4047   20.6456   -3.6433  H     
55   H        13.3078   20.1534   -4.9468  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 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   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4501
  Crash		| -2.2879
  Polar		| 3.3338
  FragIndex	| 1
  FragRMSD	| 0.714