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


@<TRIPOS>ATOM
1    C        15.4163   18.8647   -5.7944  C     
2    C        13.1252   18.1202   -6.3063  C     
3    O        12.8949   17.7614   -5.1579  O     
4    C        12.1078   17.9883   -7.3263  C     
5    C        10.7634   18.6691   -7.1384  C     
6    C         9.8444   18.8713   -8.2306  C     
7    O        10.2512   19.3776   -9.2731  O     
8    N         8.5813   18.5161   -8.0248  N     
9    C         7.5149   18.3060   -8.9806  C     
10   C         6.5147   19.4004   -8.9805  C     
11   O         6.8564   20.4459   -8.4397  O     
12   C         6.9787   16.8594   -8.6562  C     
13   C         8.0846   15.7986   -8.9195  C     
14   C         6.3072   16.6173   -7.2667  C     
15   C         5.3194   17.7142   -6.8038  C     
16   O        10.9488   17.2602   -6.9120  O     
17   C         2.9518   19.8517   -9.6342  C     
18   C         4.3360   20.4570   -9.3348  C     
19   C         4.6839   18.3572  -10.3917  C     
20   C         3.2690   18.8714  -10.7690  C     
21   N         5.2806   19.3907   -9.5707  N     
22   C         5.4237   17.9498  -11.6090  C     
23   O         6.5059   18.6603  -12.0357  O     
24   O         5.3632   16.6606  -12.0139  O     
25   N        14.2852   18.6548   -6.6466  N     
26   C        15.6265   20.3665   -5.4721  C     
27   C        14.6247   20.9174   -4.4283  C     
28   H        15.3568   18.2997   -4.8627  H     
29   H        16.2946   18.5111   -6.3330  H     
30   H        12.4045   17.7397   -8.3494  H     
31   H        10.5753   19.1965   -6.1987  H     
32   H         8.3821   18.2430   -7.1171  H     
33   H         7.9347   18.3110   -9.9892  H     
34   H         6.1993   16.5893   -9.3568  H     
35   H         8.5036   15.9137   -9.9263  H     
36   H         7.6705   14.7860   -8.8525  H     
37   H         8.8945   15.8945   -8.1953  H     
38   H         5.7418   15.6886   -7.3262  H     
39   H         7.0682   16.4799   -6.4960  H     
40   H         5.8580   18.6235   -6.5254  H     
41   H         4.7637   17.3703   -5.9254  H     
42   H         4.5961   17.9490   -7.5901  H     
43   H         2.5733   19.3170   -8.7570  H     
44   H         2.2099   20.6105   -9.9310  H     
45   H         4.5432   21.2905  -10.0223  H     
46   H         4.3380   20.8249   -8.3046  H     
47   H         4.4960   17.4723   -9.7910  H     
48   H         2.5286   18.0655  -10.7987  H     
49   H         3.2788   19.4022  -11.7314  H     
50   H        14.3791   18.9489   -7.5667  H     
51   H        16.6384   20.5007   -5.0778  H     
52   H        15.5440   20.9496   -6.3937  H     
53   H        13.6031   20.8521   -4.8054  H     
54   H        14.8531   21.9661   -4.2199  H     
55   H        14.6929   20.3551   -3.4964  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	| 6.6030
  Crash		| -2.3696
  Polar		| 5.3234
  FragIndex	| 1
  FragRMSD	| 0.653