@<TRIPOS>MOLECULE
BindingDB_22434
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        59.6844   36.6165   54.8104  C     
2    C        58.8712   37.1817   55.8052  C     
3    C        58.4744   36.4315   56.9211  C     
4    C        58.8286   35.0687   57.0587  C     
5    C        59.5857   34.4848   56.0047  C     
6    C        60.0240   35.2531   54.9083  C     
7    O        60.0285   37.4016   53.7478  O     
8    C        61.3826   37.3079   53.2582  C     
9    C        61.4501   36.4361   51.9677  C     
10   N        62.2961   36.9431   50.8428  N     
11   C        61.9072   38.3042   50.3683  C     
12   C        63.7616   36.8132   51.0715  C     
13   C        58.5233   34.3673   58.2424  C     
14   C        57.4064   34.5719   59.0083  C     
15   C        56.3625   35.4024   58.5636  C     
16   C        55.0346   37.4642   58.7284  C     
17   C        56.0571   36.6277   59.2119  C     
18   C        55.6043   35.0378   57.4233  C     
19   C        54.5828   35.8765   56.9414  C     
20   C        54.2951   37.0884   57.5933  C     
21   C        57.1248   33.8387   60.2648  C     
22   C        59.5600   33.5351   58.6722  C     
23   C        59.6094   32.1908   58.2378  C     
24   C        60.6974   31.3703   58.5821  C     
25   C        61.7334   31.8659   59.3934  C     
26   C        61.6839   33.1979   59.8525  C     
27   C        60.6074   34.0314   59.4864  C     
28   O        62.7661   31.0487   59.7123  O     
29   C        57.0343   34.7164   61.5467  C     
30   O        58.0051   35.7578   61.5641  O     
31   H        58.5801   38.1572   55.7372  H     
32   H        57.9453   36.9094   57.6511  H     
33   H        59.8334   33.4898   56.0252  H     
34   H        60.5923   34.8185   54.1817  H     
35   H        61.6872   38.3348   53.0320  H     
36   H        62.0799   36.9290   54.0163  H     
37   H        61.8037   35.4374   52.2383  H     
38   H        60.4383   36.2980   51.5781  H     
39   H        62.0725   36.3316   50.0538  H     
40   H        60.8349   38.3464   50.1584  H     
41   H        62.4317   38.5375   49.4384  H     
42   H        62.1528   39.0721   51.1071  H     
43   H        64.0788   37.3650   51.9627  H     
44   H        64.3188   37.1897   50.2097  H     
45   H        64.0195   35.7601   51.1967  H     
46   H        54.8392   38.3562   59.1928  H     
47   H        56.6093   36.9477   60.0108  H     
48   H        55.8094   34.1685   56.9196  H     
49   H        54.0515   35.6088   56.1087  H     
50   H        53.5674   37.7052   57.2306  H     
51   H        56.1886   33.2867   60.1573  H     
52   H        57.8753   33.0658   60.4617  H     
53   H        58.8657   31.8051   57.6496  H     
54   H        60.7320   30.4122   58.2327  H     
55   H        62.4351   33.5677   60.4420  H     
56   H        60.5981   35.0028   59.8141  H     
57   H        63.1057   31.3608   60.5760  H     
58   H        56.0457   35.1697   61.6221  H     
59   H        57.1786   34.0958   62.4348  H     
60   H        58.8097   35.3706   61.1569  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   13 1
     8    5    6 2
     9    7    8 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 1
    14   13   14 2
    15   13   22 1
    16   14   15 1
    17   14   21 1
    18   15   17 2
    19   15   18 1
    20   16   17 1
    21   16   20 2
    22   18   19 2
    23   19   20 1
    24   21   29 1
    25   22   23 1
    26   22   27 2
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30   25   28 1
    31   26   27 1
    32   29   30 1
    33    2   31 1
    34    3   32 1
    35    5   33 1
    36    6   34 1
    37    8   35 1
    38    8   36 1
    39    9   37 1
    40    9   38 1
    41   10   39 1
    42   11   40 1
    43   11   41 1
    44   11   42 1
    45   12   43 1
    46   12   44 1
    47   12   45 1
    48   16   46 1
    49   17   47 1
    50   18   48 1
    51   19   49 1
    52   20   50 1
    53   21   51 1
    54   21   52 1
    55   23   53 1
    56   24   54 1
    57   26   55 1
    58   27   56 1
    59   28   57 1
    60   29   58 1
    61   29   59 1
    62   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6898
  Crash		| -3.4658
  Polar		| 2.7878
  FragIndex	| 1
  FragRMSD	| 0.252