@<TRIPOS>MOLECULE
BindingDB_19807
 85 87 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -26.6785  -12.1427   54.8618  C     
2    C       -27.9802  -11.7196   55.1865  C     
3    C       -29.0272  -11.8749   54.2566  C     
4    C       -28.7693  -12.4812   53.0133  C     
5    C       -27.4717  -12.9108   52.6916  C     
6    C       -26.3991  -12.7177   53.5990  C     
7    C       -25.0053  -13.0816   53.2248  C     
8    O       -24.6350  -14.4143   53.6556  O     
9    C       -24.5382  -14.8617   54.9372  C     
10   O       -24.8237  -14.0155   55.9667  O     
11   N       -24.1711  -16.1259   55.2521  N     
12   C       -23.7906  -17.2238   54.3996  C     
13   C       -24.0005  -17.0398   52.8646  C     
14   C       -24.0340  -18.3619   52.0028  C     
15   C       -25.1270  -18.2771   50.9032  C     
16   C       -22.6633  -18.7066   51.3460  C     
17   C       -22.4248  -17.5754   54.7476  C     
18   O       -21.5832  -16.6764   54.8287  O     
19   N       -22.0936  -18.8293   55.0126  N     
20   C       -20.7959  -19.2987   55.4093  C     
21   C       -20.3427  -18.6777   56.6208  C     
22   C       -20.7856  -20.8004   55.7841  C     
23   C       -20.0796  -19.5886   57.6946  C     
24   O       -20.1295  -17.4761   56.7078  O     
25   N       -20.3693  -20.8822   57.1519  N     
26   C       -20.2639  -22.0199   57.8596  C     
27   O       -20.0239  -21.9396   59.0614  O     
28   C       -20.5261  -23.3761   57.3447  C     
29   C       -22.0099  -23.7956   57.5929  C     
30   C       -22.4909  -25.2821   55.5239  C     
31   C       -22.4773  -25.1981   57.0743  C     
32   C       -21.7142  -26.4151   57.6749  C     
33   N       -19.6760  -24.3362   57.9807  N     
34   C       -18.3905  -24.6142   57.6780  C     
35   O       -17.8582  -25.6777   58.3150  O     
36   O       -17.6556  -23.9175   56.7689  O     
37   C       -16.2859  -24.0918   56.3635  C     
38   C       -15.5181  -25.0056   57.2503  C     
39   C       -15.0857  -26.2739   56.7904  C     
40   C       -14.4613  -27.1827   57.6664  C     
41   C       -14.2451  -26.8295   59.0091  C     
42   C       -14.6455  -25.5621   59.4717  C     
43   C       -15.2699  -24.6568   58.5956  C     
44   H       -25.9342  -12.0128   55.5476  H     
45   H       -28.1683  -11.2907   56.0982  H     
46   H       -29.9725  -11.5655   54.4937  H     
47   H       -29.5364  -12.6136   52.3496  H     
48   H       -27.3067  -13.3554   51.7880  H     
49   H       -24.8964  -13.0691   52.1343  H     
50   H       -24.2903  -12.3501   53.6185  H     
51   H       -24.1468  -16.3130   56.2047  H     
52   H       -24.4646  -18.0324   54.7005  H     
53   H       -24.9481  -16.5101   52.7452  H     
54   H       -23.2243  -16.3845   52.4616  H     
55   H       -24.3037  -19.2039   52.6574  H     
56   H       -26.1124  -18.1861   51.3598  H     
57   H       -25.1278  -19.1703   50.2776  H     
58   H       -24.9521  -17.4059   50.2664  H     
59   H       -22.3386  -17.8893   50.7010  H     
60   H       -22.7428  -19.6123   50.7430  H     
61   H       -21.8972  -18.8823   52.0988  H     
62   H       -22.7778  -19.5038   54.8731  H     
63   H       -20.0659  -19.1209   54.6120  H     
64   H       -21.7780  -21.2469   55.6761  H     
65   H       -20.0824  -21.3397   55.1405  H     
66   H       -19.0289  -19.5206   57.9925  H     
67   H       -20.7226  -19.3558   58.5478  H     
68   H       -20.3429  -23.4155   56.2705  H     
69   H       -22.2011  -23.7537   58.6729  H     
70   H       -22.6594  -23.0466   57.1337  H     
71   H       -23.0588  -24.4483   55.1071  H     
72   H       -22.9680  -26.2087   55.2000  H     
73   H       -21.4783  -25.2550   55.1143  H     
74   H       -23.5163  -25.3058   57.3981  H     
75   H       -20.6918  -26.4658   57.2871  H     
76   H       -22.2277  -27.3492   57.4147  H     
77   H       -21.6709  -26.3437   58.7634  H     
78   H       -20.0597  -24.8436   58.7101  H     
79   H       -16.3028  -24.4479   55.3323  H     
80   H       -15.8084  -23.1139   56.3490  H     
81   H       -15.2709  -26.5692   55.8258  H     
82   H       -14.1793  -28.1070   57.3296  H     
83   H       -13.7837  -27.4853   59.6403  H     
84   H       -14.4870  -25.3066   60.4483  H     
85   H       -15.5624  -23.7433   58.9487  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   12   13 1
    14   12   17 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   17   18 2
    19   17   19 am
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   21   23 1
    24   21   24 2
    25   22   25 1
    26   23   25 1
    27   25   26 am
    28   26   27 2
    29   26   28 1
    30   28   29 1
    31   28   33 1
    32   29   31 1
    33   30   31 1
    34   31   32 1
    35   33   34 am
    36   34   35 2
    37   34   36 1
    38   36   37 1
    39   37   38 1
    40   38   39 2
    41   38   43 1
    42   39   40 1
    43   40   41 2
    44   41   42 1
    45   42   43 2
    46    1   44 1
    47    2   45 1
    48    3   46 1
    49    4   47 1
    50    5   48 1
    51    7   49 1
    52    7   50 1
    53   11   51 1
    54   12   52 1
    55   13   53 1
    56   13   54 1
    57   14   55 1
    58   15   56 1
    59   15   57 1
    60   15   58 1
    61   16   59 1
    62   16   60 1
    63   16   61 1
    64   19   62 1
    65   20   63 1
    66   22   64 1
    67   22   65 1
    68   23   66 1
    69   23   67 1
    70   28   68 1
    71   29   69 1
    72   29   70 1
    73   30   71 1
    74   30   72 1
    75   30   73 1
    76   31   74 1
    77   32   75 1
    78   32   76 1
    79   32   77 1
    80   33   78 1
    81   37   79 1
    82   37   80 1
    83   39   81 1
    84   40   82 1
    85   41   83 1
    86   42   84 1
    87   43   85 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9477
  Crash		| -2.8931
  Polar		| 2.2240
  FragIndex	| 1
  FragRMSD	| 1.203