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


@<TRIPOS>ATOM
1    C         7.1473   18.5853   -5.8037  C     
2    C         8.6843   19.0489   -7.6862  C     
3    O         8.7719   19.6038   -8.7717  O     
4    C         9.7782   18.2114   -7.2438  C     
5    C        11.0365   17.9986   -8.0645  C     
6    C        12.1970   17.3370   -7.5267  C     
7    O        12.4278   16.2132   -7.9419  O     
8    N        13.0135   17.9813   -6.7036  N     
9    C        14.2704   17.5195   -6.1511  C     
10   C        14.1690   16.4372   -5.1537  C     
11   O        13.1802   16.4514   -4.4316  O     
12   C        15.0765   18.7421   -5.5536  C     
13   C        15.7649   19.5555   -6.6837  C     
14   O         9.9329   17.0828   -8.1099  O     
15   N         7.5406   19.2062   -7.0312  N     
16   C        14.2267   19.6619   -4.6104  C     
17   C        14.9675   20.8810   -4.0095  C     
18   C        16.6032   14.2990   -3.4303  C     
19   C        15.1849   14.8862   -3.5683  C     
20   C        16.3462   15.2948   -5.6085  C     
21   C        17.3966   15.0595   -4.5006  C     
22   N        15.1528   15.5683   -4.8419  N     
23   C        16.2359   14.0812   -6.4638  C     
24   O        15.2455   13.1743   -6.2767  O     
25   O        17.2022   13.8414   -7.3913  O     
26   C        17.2788   12.6934   -8.2406  C     
27   C         7.8033   19.2113   -4.5464  C     
28   C         7.7359   18.2714   -3.3234  C     
29   H         6.0661   18.7082   -5.7151  H     
30   H         7.3453   17.5133   -5.8526  H     
31   H         9.8681   17.9625   -6.1872  H     
32   H        11.1400   18.5494   -9.0017  H     
33   H        12.7682   18.8998   -6.5157  H     
34   H        14.8234   17.1162   -7.0016  H     
35   H        15.8963   18.3446   -4.9457  H     
36   H        16.3623   18.8923   -7.3088  H     
37   H        16.4386   20.3108   -6.2744  H     
38   H        15.0250   20.0484   -7.3125  H     
39   H         6.8745   19.7675   -7.4575  H     
40   H        13.3512   20.0396   -5.1436  H     
41   H        13.8645   19.0635   -3.7715  H     
42   H        15.9022   20.5679   -3.5395  H     
43   H        14.3379   21.3538   -3.2512  H     
44   H        15.1826   21.6236   -4.7798  H     
45   H        17.0204   14.4573   -2.4339  H     
46   H        16.5978   13.2282   -3.6509  H     
47   H        14.4243   14.1010   -3.5260  H     
48   H        15.0158   15.5942   -2.7500  H     
49   H        16.6712   16.1309   -6.2311  H     
50   H        17.7332   16.0209   -4.0996  H     
51   H        18.2749   14.4972   -4.8312  H     
52   H        17.3617   11.7859   -7.6398  H     
53   H        18.1616   12.7792   -8.8769  H     
54   H        16.3871   12.6340   -8.8687  H     
55   H         8.8515   19.4453   -4.7359  H     
56   H         7.2948   20.1475   -4.3024  H     
57   H         6.6943   18.0579   -3.0750  H     
58   H         8.2151   18.7418   -2.4631  H     
59   H         8.2509   17.3320   -3.5332  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	| 4.7398
  Crash		| -1.9611
  Polar		| 1.4376
  FragIndex	| 1
  FragRMSD	| 1.302