@<TRIPOS>MOLECULE
BindingDB_13506
 60 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8592   17.4493   78.6592  C     
2    C        16.0092   17.1933   80.0408  C     
3    C        17.2666   16.8634   80.5819  C     
4    C        18.4176   16.7964   79.7616  C     
5    C        18.2732   17.1529   78.3985  C     
6    C        17.0156   17.4591   77.8502  C     
7    C        19.7423   16.2602   80.2052  C     
8    C        21.7839   16.5924   81.4091  C     
9    C        20.7659   17.3220   80.6841  C     
10   N        21.4766   15.3680   81.7695  N     
11   O        19.1761   15.1041   82.8649  O     
12   O        22.9012   17.0412   81.6141  O     
13   C        14.5040   17.6098   78.0625  C     
14   C        13.7551   18.8970   78.5129  C     
15   C        14.3950   20.1155   77.9667  C     
16   C        15.0708   21.5999   76.5354  C     
17   C        15.1966   22.1161   77.8245  C     
18   C        15.8658   23.6849   75.6022  C     
19   C        15.3993   22.3668   75.4055  C     
20   C        15.6617   23.4260   78.0333  C     
21   C        15.9964   24.2112   76.9086  C     
22   N        14.7727   21.1878   78.6957  N     
23   N        14.5865   20.3617   76.6558  N     
24   S        19.8856   14.9520   81.4472  S     
25   O        19.8677   13.5337   80.7234  O     
26   N        12.3983   18.8256   78.0659  N     
27   S        11.2286   19.9848   78.4361  S     
28   O         9.8280   19.2350   78.3888  O     
29   O        11.3940   20.3981   79.9645  O     
30   C        11.2509   21.3373   77.3221  C     
31   C        10.8847   22.3830   75.1399  C     
32   C        10.7212   21.2691   75.9998  C     
33   C        11.9081   22.5150   77.7449  C     
34   C        12.0554   23.6096   76.8780  C     
35   C        11.5484   23.5422   75.5729  C     
36   C        10.0092   20.0704   75.4854  C     
37   H        15.1892   17.1879   80.6526  H     
38   H        17.3125   16.6203   81.5700  H     
39   H        19.0812   17.1255   77.7730  H     
40   H        16.9458   17.6529   76.8478  H     
41   H        20.1732   15.7792   79.3170  H     
42   H        21.2059   17.8360   79.8234  H     
43   H        20.3015   18.0608   81.3436  H     
44   H        22.1098   14.7723   82.1999  H     
45   H        14.5612   17.5949   76.9686  H     
46   H        13.9134   16.7321   78.3389  H     
47   H        13.7543   18.9428   79.6069  H     
48   H        16.1066   24.2629   74.7942  H     
49   H        15.2935   21.9806   74.4646  H     
50   H        15.7417   23.8048   78.9794  H     
51   H        16.3298   25.1685   77.0401  H     
52   H        14.3676   19.7625   75.9244  H     
53   H        12.2071   18.2339   77.3216  H     
54   H        10.5219   22.3626   74.1838  H     
55   H        12.3104   22.5841   78.6823  H     
56   H        12.5421   24.4509   77.1938  H     
57   H        11.6612   24.3369   74.9386  H     
58   H        10.6551   19.1980   75.5593  H     
59   H         9.7137   20.1726   74.4385  H     
60   H         9.1036   19.8959   76.0687  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   32 2
    35   30   33 1
    36   31   32 1
    37   31   35 2
    38   32   36 1
    39   33   34 2
    40   34   35 1
    41    2   37 1
    42    3   38 1
    43    5   39 1
    44    6   40 1
    45    7   41 1
    46    9   42 1
    47    9   43 1
    48   10   44 1
    49   13   45 1
    50   13   46 1
    51   14   47 1
    52   18   48 1
    53   19   49 1
    54   20   50 1
    55   21   51 1
    56   23   52 1
    57   26   53 1
    58   31   54 1
    59   33   55 1
    60   34   56 1
    61   35   57 1
    62   36   58 1
    63   36   59 1
    64   36   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7563
  Crash		| -1.9130
  Polar		| 5.9745
  FragIndex	| 1
  FragRMSD	| 0.489