@<TRIPOS>MOLECULE
BindingDB_50294220
 79 84 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.0265   13.9228   20.0861  C     
2    C         3.3385   13.9142   21.4673  C     
3    C         4.1868   14.9273   22.2557  C     
4    C         5.5997   14.7297   21.6612  C     
5    O         5.4219   14.1539   20.3559  O     
6    N         6.4039   15.9245   21.6546  N     
7    O         4.1124   14.6946   23.6626  O     
8    O         3.3866   12.6069   22.0440  O     
9    N         7.5869   17.6513   22.4275  N     
10   C         6.8106   16.5947   22.7589  C     
11   C         7.6938   17.6453   21.0866  C     
12   C         6.9662   16.5568   20.6047  C     
13   N         6.9298   16.2925   19.2750  N     
14   C         7.5925   17.0884   18.3938  C     
15   N         8.3026   18.1570   18.8419  N     
16   C         8.3799   18.4639   20.1637  C     
17   O         9.1187   19.5306   20.5587  O     
18   C         3.4889   15.0026   19.0992  C     
19   O         2.7812   14.3762   17.9966  O     
20   P         2.3675   15.2999   16.8014  P     
21   O         3.1141   15.1666   15.4396  O     
22   P         4.6089   14.7408   15.4871  P     
23   O         4.8031   13.2684   15.9676  O     
24   P         4.4370   12.1534   14.9480  P     
25   O         3.3552   12.3581   13.8435  O     
26   C         1.9725   12.2051   14.1915  C     
27   C         1.2065   11.7833   12.9127  C     
28   C        -0.2702   11.4202   13.1920  C     
29   C        -0.2669    9.8875   13.1560  C     
30   C         0.8808    9.5770   12.1712  C     
31   O         1.8448   10.6276   12.3480  O     
32   N         1.4492    8.2751   12.3907  N     
33   O        -1.5253    9.3423   12.7621  O     
34   O        -1.1240   11.9559   12.1761  O     
35   N         2.7801    6.6669   13.1641  N     
36   C         2.6069    7.9930   13.0345  C     
37   C         1.7206    6.0946   12.5737  C     
38   C         0.8900    7.0931   12.0763  C     
39   N        -0.2717    6.7647   11.4332  N     
40   C        -0.6049    5.4511   11.2943  C     
41   N         0.2080    4.4791   11.8008  N     
42   C         1.3482    4.7712   12.4319  C     
43   N        -1.7418    5.1121   10.6671  N     
44   O         2.0432    3.8849   12.8968  O     
45   O         0.9378   14.8499   16.4435  O     
46   O         5.2351   14.9913   14.0992  O     
47   O         5.7050   11.9468   14.1063  O     
48   O         2.2000   16.6910   17.1392  O     
49   O         5.3729   15.6281   16.3153  O     
50   O         4.2887   10.8866   15.6104  O     
51   N         7.5685   16.8145   17.0824  N     
52   C         8.1841   18.5734   23.3428  C     
53   H         3.9366   12.9397   19.6085  H     
54   H         2.2871   14.2216   21.4095  H     
55   H         3.8237   15.9399   22.0514  H     
56   H         6.1295   13.9792   22.2536  H     
57   H         4.4845   15.5005   24.0769  H     
58   H         4.3383   12.3930   22.1437  H     
59   H         6.5705   16.3321   23.7210  H     
60   H         9.4412   19.9503   19.7287  H     
61   H         2.8035   15.6890   19.6174  H     
62   H         4.3380   15.5948   18.7345  H     
63   H         1.8215   11.4461   14.9748  H     
64   H         1.5772   13.1639   14.5318  H     
65   H         1.2708   12.6010   12.1848  H     
66   H        -0.6267   11.7839   14.1623  H     
67   H        -0.0066    9.5079   14.1462  H     
68   H         0.5160    9.6493   11.1413  H     
69   H        -1.5650    8.4548   13.1716  H     
70   H        -1.1301   12.9249   12.3287  H     
71   H         3.2543    8.6859   13.4206  H     
72   H        -0.0505    3.5467   11.7095  H     
73   H        -1.9861    4.1766   10.5733  H     
74   H        -2.3288    5.8012   10.3170  H     
75   H         8.0383   17.3884   16.4521  H     
76   H         7.0829   16.0349   16.7610  H     
77   H         7.9226   18.3446   24.3795  H     
78   H         7.8425   19.5866   23.1195  H     
79   H         9.2710   18.5382   23.2494  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   18 1
     4    2    3 1
     5    2    8 1
     6    3    4 1
     7    3    7 1
     8    4    5 1
     9    4    6 1
    10    6   10 1
    11    6   12 1
    12    9   10 2
    13    9   11 1
    14    9   52 1
    15   11   12 2
    16   11   16 1
    17   12   13 1
    18   13   14 2
    19   14   15 1
    20   14   51 1
    21   15   16 2
    22   16   17 1
    23   18   19 1
    24   19   20 1
    25   20   21 1
    26   20   45 1
    27   20   48 2
    28   21   22 1
    29   22   23 1
    30   22   46 1
    31   22   49 2
    32   23   24 1
    33   24   25 1
    34   24   47 1
    35   24   50 2
    36   25   26 1
    37   27   26 1
    38   27   28 1
    39   27   31 1
    40   28   29 1
    41   28   34 1
    42   29   30 1
    43   29   33 1
    44   30   31 1
    45   30   32 1
    46   32   36 1
    47   32   38 1
    48   35   36 2
    49   35   37 1
    50   37   38 2
    51   37   42 1
    52   38   39 1
    53   39   40 2
    54   40   41 1
    55   40   43 1
    56   41   42 1
    57   42   44 2
    58    1   53 1
    59    2   54 1
    60    3   55 1
    61    4   56 1
    62    7   57 1
    63    8   58 1
    64   10   59 1
    65   17   60 1
    66   18   61 1
    67   18   62 1
    68   26   63 1
    69   26   64 1
    70   27   65 1
    71   28   66 1
    72   29   67 1
    73   30   68 1
    74   33   69 1
    75   34   70 1
    76   36   71 1
    77   41   72 1
    78   43   73 1
    79   43   74 1
    80   51   75 1
    81   51   76 1
    82   52   77 1
    83   52   78 1
    84   52   79 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5816
  Crash		| -1.1463
  Polar		| 8.8045
  FragIndex	| 1
  FragRMSD	| 1.243