@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9667   20.2438   -5.3091  C     
2    C        15.6565   21.2231   -4.1654  C     
3    O        14.8611   19.3570   -5.4882  O     
4    C        14.5463   18.6652   -6.6170  C     
5    O        15.2858   18.7800   -7.7434  O     
6    C        13.3773   17.7781   -6.6418  C     
7    C        12.0845   18.4601   -6.2077  C     
8    C        10.7868   18.0769   -6.6803  C     
9    O        10.6641   17.4178   -7.7038  O     
10   N         9.7423   18.5318   -6.0015  N     
11   C         8.3605   18.2478   -6.2680  C     
12   C         7.8519   18.9638   -7.4314  C     
13   O         8.5719   19.6768   -8.1308  O     
14   C         7.5170   18.4632   -4.9523  C     
15   C         8.0356   17.5776   -3.7860  C     
16   C         7.3722   19.9648   -4.5202  C     
17   C         5.9239   20.3682   -4.1666  C     
18   O        12.7145   17.4410   -5.4120  O     
19   N         6.5766   18.7800   -7.7615  N     
20   C         5.8154   19.3574   -8.8169  C     
21   C         4.4639   19.5772   -8.2654  C     
22   O         3.8494   20.7765   -8.3366  O     
23   O         3.7622   18.5716   -7.7007  O     
24   C         5.8482   18.4671  -10.1223  C     
25   C         5.2788   17.0086   -9.9011  C     
26   C         5.2409   19.2132  -11.3727  C     
27   C         3.8419   18.7205  -11.8574  C     
28   H        16.1516   20.8055   -6.2295  H     
29   H        16.8630   19.6675   -5.0656  H     
30   H        14.8085   21.8554   -4.4339  H     
31   H        16.5257   21.8545   -3.9804  H     
32   H        15.4149   20.6773   -3.2517  H     
33   H        13.2734   17.0420   -7.4406  H     
34   H        12.1774   19.4340   -5.7263  H     
35   H         9.9386   19.0493   -5.2096  H     
36   H         8.2845   17.1829   -6.5006  H     
37   H         6.5147   18.0821   -5.1759  H     
38   H         8.0438   16.5270   -4.0776  H     
39   H         7.3855   17.6839   -2.9169  H     
40   H         9.0474   17.8597   -3.4912  H     
41   H         8.0006   20.1703   -3.6510  H     
42   H         7.7053   20.6330   -5.3178  H     
43   H         5.2633   20.2112   -5.0237  H     
44   H         5.8919   21.4266   -3.9037  H     
45   H         5.5603   19.7786   -3.3219  H     
46   H         6.0985   18.1423   -7.2027  H     
47   H         6.2209   20.3276   -9.0866  H     
48   H         6.9253   18.3124  -10.3503  H     
49   H         5.7860   16.5069   -9.0630  H     
50   H         5.4589   16.3783  -10.7826  H     
51   H         4.1991   17.0133   -9.6998  H     
52   H         5.1572   20.2799  -11.1326  H     
53   H         5.9597   19.1022  -12.2044  H     
54   H         3.8662   17.6392  -12.0918  H     
55   H         3.5572   19.2806  -12.7664  H     
56   H         3.1010   18.9180  -11.0580  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7703
  Crash		| -1.8036
  Polar		| 4.4977
  FragIndex	| 1
  FragRMSD	| 0.141