@<TRIPOS>MOLECULE
BindingDB_23906
 74 77 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.6790   66.2195   28.1040  C     
2    C        16.9768   64.9586   28.6563  C     
3    S        18.6259   64.3933   28.7052  S     
4    O        19.6856   65.5819   28.7313  O     
5    O        18.8198   63.6346   30.0867  O     
6    N        19.0422   63.3023   27.4839  N     
7    C        18.6925   63.5049   26.1013  C     
8    C        17.3500   62.9893   25.7881  C     
9    O        17.0945   61.9106   26.3154  O     
10   C        19.8051   62.9145   25.1728  C     
11   C        19.6516   61.4840   24.7644  C     
12   C        19.1781   61.1620   23.4716  C     
13   C        19.0352   59.8254   23.0717  C     
14   C        19.3836   58.7857   23.9514  C     
15   C        19.8708   59.0554   25.2561  C     
16   C        19.9890   60.4205   25.6397  C     
17   C        20.3013   57.9880   26.1115  C     
18   N        20.0820   56.6848   25.8475  N     
19   N        21.0003   58.1894   27.2420  N     
20   C        14.1894   65.3340   24.3041  C     
21   C        15.6786   65.8158   24.3285  C     
22   C        16.6928   64.6629   24.0610  C     
23   C        15.1031   62.9687   24.8081  C     
24   C        14.0601   64.0518   25.1907  C     
25   C        13.6118   65.1036   22.8560  C     
26   N        16.4450   63.5201   24.9378  N     
27   C        12.4383   66.0294   22.4140  C     
28   C        14.5930   64.5672   29.0347  C     
29   C        15.9281   64.1375   29.1230  C     
30   C        15.3403   66.6601   27.9984  C     
31   C        14.2843   65.8169   28.4583  C     
32   C        12.9630   66.2469   28.2891  C     
33   C        12.7012   67.4273   27.6922  C     
34   C        13.7130   68.2442   27.2663  C     
35   C        15.0055   67.8863   27.4120  C     
36   C        12.8357   67.1011   21.3696  C     
37   N        11.6792   67.4598   20.5346  N     
38   H        17.4356   66.8132   27.7552  H     
39   H        19.3076   62.4081   27.7565  H     
40   H        18.7040   64.5896   25.9589  H     
41   H        19.8571   63.5383   24.2756  H     
42   H        20.7804   63.0279   25.6610  H     
43   H        18.9141   61.8987   22.8149  H     
44   H        18.6910   59.6084   22.1318  H     
45   H        19.2882   57.8258   23.6102  H     
46   H        20.3380   60.6567   26.5719  H     
47   H        20.5195   56.0085   26.3912  H     
48   H        19.5286   56.4105   25.0998  H     
49   H        21.3119   57.4201   27.7439  H     
50   H        13.5991   66.1200   24.7955  H     
51   H        15.8246   66.6172   23.5944  H     
52   H        15.8999   66.2343   25.3198  H     
53   H        16.5897   64.3412   23.0180  H     
54   H        17.6999   65.0760   24.1468  H     
55   H        14.9087   62.1041   25.4437  H     
56   H        14.9494   62.6385   23.7756  H     
57   H        14.2113   64.3193   26.2388  H     
58   H        13.0544   63.6368   25.1102  H     
59   H        14.4155   65.1544   22.1170  H     
60   H        13.2298   64.0812   22.7877  H     
61   H        11.6631   65.4072   21.9595  H     
62   H        11.9802   66.5133   23.2798  H     
63   H        13.8470   63.9494   29.3654  H     
64   H        16.1264   63.2153   29.5175  H     
65   H        12.2051   65.6706   28.5790  H     
66   H        11.7578   67.7069   27.5526  H     
67   H        13.4903   69.1086   26.8296  H     
68   H        15.7192   68.4991   27.0855  H     
69   H        13.2124   67.9969   21.8695  H     
70   H        13.6108   66.7143   20.7043  H     
71   H        11.3751   66.6372   19.9990  H     
72   H        11.9405   68.2056   19.8830  H     
73   H        10.9083   67.7840   21.1264  H     
74   H        21.2119   59.0830   27.5540  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   30 2
     3    2    3 1
     4    2   29 2
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    6    7 1
     9    7    8 1
    10    7   10 1
    11    8    9 2
    12    8   26 am
    13   10   11 1
    14   11   12 1
    15   11   16 2
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 1
    22   17   19 2
    23   20   21 1
    24   20   24 1
    25   20   25 1
    26   21   22 1
    27   22   26 1
    28   23   24 1
    29   23   26 1
    30   25   27 1
    31   27   36 1
    32   28   29 1
    33   28   31 2
    34   30   31 1
    35   30   35 1
    36   31   32 1
    37   32   33 2
    38   33   34 1
    39   34   35 2
    40   36   37 1
    41    1   38 1
    42    6   39 1
    43    7   40 1
    44   10   41 1
    45   10   42 1
    46   12   43 1
    47   13   44 1
    48   14   45 1
    49   16   46 1
    50   18   47 1
    51   18   48 1
    52   19   49 1
    53   20   50 1
    54   21   51 1
    55   21   52 1
    56   22   53 1
    57   22   54 1
    58   23   55 1
    59   23   56 1
    60   24   57 1
    61   24   58 1
    62   25   59 1
    63   25   60 1
    64   27   61 1
    65   27   62 1
    66   28   63 1
    67   29   64 1
    68   32   65 1
    69   33   66 1
    70   34   67 1
    71   35   68 1
    72   36   69 1
    73   36   70 1
    74   37   71 1
    75   37   72 1
    76   37   73 1
    77   19   74 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6150
  Crash		| -1.9062
  Polar		| 6.7605
  FragIndex	| 1
  FragRMSD	| 0.757