@<TRIPOS>MOLECULE
BindingDB_16503
 59 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.9694   19.5361   -5.2716  C     
2    C         9.8921   19.3095   -7.5392  C     
3    O         9.6417   19.4770   -8.7247  O     
4    C        11.1508   18.6909   -7.1478  C     
5    C        12.2494   18.2567   -8.1182  C     
6    C        13.5979   18.1475   -7.5910  C     
7    O        14.4991   18.7078   -8.2009  O     
8    N        13.8321   17.5074   -6.4472  N     
9    C        15.0721   17.3959   -5.7170  C     
10   C        15.1302   16.0424   -5.1480  C     
11   O        14.1037   15.6369   -4.6023  O     
12   C        15.2178   18.6034   -4.6910  C     
13   C        15.5437   18.2044   -3.2188  C     
14   O        11.2419   17.3501   -7.6565  O     
15   N         8.9640   19.7288   -6.6933  N     
16   C        16.2649   19.6422   -5.2360  C     
17   C        16.1859   21.0701   -4.6320  C     
18   C        18.4833   14.5310   -5.0982  C     
19   C        17.5215   15.6256   -5.5906  C     
20   C        16.1934   13.8861   -4.6338  C     
21   C        17.5780   13.2984   -5.0019  C     
22   N        16.2141   15.2477   -5.1200  N     
23   C        15.9156   13.8219   -3.1780  C     
24   O        14.9060   13.0389   -2.7283  O     
25   O        16.6053   14.6277   -2.3267  O     
26   C        16.3973   14.7124   -0.9151  C     
27   C         7.6098   19.9544   -4.6501  C     
28   C         7.2271   19.0797   -3.4275  C     
29   H         9.1596   18.4709   -5.0551  H     
30   H         9.7628   20.1490   -4.8186  H     
31   H        11.4274   18.7347   -6.0898  H     
32   H        12.1117   18.6306   -9.1337  H     
33   H        13.0478   17.1488   -6.0031  H     
34   H        15.8824   17.4574   -6.4510  H     
35   H        14.2545   19.1302   -4.6514  H     
36   H        14.7492   17.5695   -2.8194  H     
37   H        15.6102   19.0916   -2.5848  H     
38   H        16.4961   17.6704   -3.1738  H     
39   H         8.1841   20.1701   -7.0744  H     
40   H        17.2772   19.2521   -5.0679  H     
41   H        16.1306   19.7671   -6.3209  H     
42   H        15.1780   21.4799   -4.7626  H     
43   H        16.8997   21.7208   -5.1509  H     
44   H        16.4437   21.0652   -3.5690  H     
45   H        19.3183   14.3742   -5.7861  H     
46   H        18.8732   14.7877   -4.1077  H     
47   H        17.8380   16.5885   -5.1825  H     
48   H        17.5322   15.6745   -6.6860  H     
49   H        15.4283   13.3133   -5.1730  H     
50   H        17.5271   12.8132   -5.9843  H     
51   H        17.9559   12.5713   -4.2738  H     
52   H        15.3559   14.9634   -0.6999  H     
53   H        17.0384   15.4950   -0.5095  H     
54   H        16.6496   13.7626   -0.4388  H     
55   H         7.6624   21.0031   -4.3302  H     
56   H         6.8071   19.8576   -5.3913  H     
57   H         7.0102   18.0546   -3.7483  H     
58   H         6.3318   19.4830   -2.9443  H     
59   H         8.0408   19.0519   -2.6952  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   27 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   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   26 1
    29   27   28 1
    30    1   29 1
    31    1   30 1
    32    4   31 1
    33    5   32 1
    34    8   33 1
    35    9   34 1
    36   12   35 1
    37   13   36 1
    38   13   37 1
    39   13   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   19   48 1
    50   20   49 1
    51   21   50 1
    52   21   51 1
    53   26   52 1
    54   26   53 1
    55   26   54 1
    56   27   55 1
    57   27   56 1
    58   28   57 1
    59   28   58 1
    60   28   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6117
  Crash		| -1.5443
  Polar		| 1.8969
  FragIndex	| 1
  FragRMSD	| 0.594