@<TRIPOS>MOLECULE
BindingDB_14390
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         3.3320   66.2519   84.5850  C     
2    C         4.2122   67.1663   83.9753  C     
3    C         3.7425   68.0770   83.0138  C     
4    C         2.3822   68.0841   82.6409  C     
5    C         1.4970   67.1786   83.2590  C     
6    C         1.9600   66.2571   84.2247  C     
7    O         3.8552   65.2711   85.3889  O     
8    C         4.4905   65.7126   86.6059  C     
9    C         5.8020   64.9242   86.7877  C     
10   O         2.5522   68.8205   80.0245  O     
11   O         0.2975   68.9011   81.0276  O     
12   S         1.8214   69.1692   81.3956  S     
13   C         3.2369   71.4621   81.2488  C     
14   C         3.6641   72.6386   82.1607  C     
15   C         1.3596   72.8262   83.0231  C     
16   C         0.9364   71.6071   82.1603  C     
17   N         2.0650   70.8060   81.7624  N     
18   N         2.5132   73.5558   82.4147  N     
19   C         2.9126   74.7527   83.2034  C     
20   C         1.0502   65.3323   84.7711  C     
21   C        -0.1233   64.5029   86.6497  C     
22   N         0.4333   64.4276   83.9567  N     
23   N         0.7596   65.3404   86.1059  N     
24   O        -0.3107   64.5490   87.8560  O     
25   C        -0.7701   63.5700   85.8425  C     
26   C        -0.4536   63.5456   84.4896  C     
27   C        -1.1790   62.5020   83.9349  C     
28   N        -1.8933   61.9526   84.9373  N     
29   N        -1.6707   62.5878   86.0532  N     
30   C        -2.3030   62.2618   87.2878  C     
31   C        -1.1529   62.0292   82.5362  C     
32   C        -2.5357   62.1003   81.8402  C     
33   C        -3.0883   63.5343   81.6966  C     
34   H         5.2034   67.1492   84.2078  H     
35   H         4.4057   68.7178   82.5745  H     
36   H         0.5043   67.1857   83.0006  H     
37   H         4.7262   66.7822   86.5928  H     
38   H         3.8250   65.5122   87.4503  H     
39   H         5.5849   63.8622   86.9213  H     
40   H         6.3509   65.2877   87.6616  H     
41   H         6.4372   65.0431   85.9047  H     
42   H         3.0181   71.8427   80.2470  H     
43   H         4.0844   70.7745   81.1726  H     
44   H         4.0448   72.2377   83.1057  H     
45   H         4.4761   73.1786   81.6661  H     
46   H         0.5018   73.5002   83.1081  H     
47   H         1.6181   72.4780   84.0287  H     
48   H         0.2215   71.0167   82.7409  H     
49   H         0.4273   71.9659   81.2601  H     
50   H         2.1998   73.8956   81.5011  H     
51   H         2.0691   75.4389   83.2999  H     
52   H         3.7171   75.2892   82.6971  H     
53   H         3.2532   74.4725   84.2026  H     
54   H         1.1965   65.9898   86.6744  H     
55   H        -1.5477   62.0482   88.0445  H     
56   H        -2.9466   61.3867   87.1842  H     
57   H        -2.9136   63.1023   87.6203  H     
58   H        -0.4334   62.6175   81.9605  H     
59   H        -0.8058   60.9923   82.5324  H     
60   H        -2.4375   61.6743   80.8362  H     
61   H        -3.2587   61.4896   82.3888  H     
62   H        -3.3083   63.9645   82.6785  H     
63   H        -4.0123   63.5085   81.1155  H     
64   H        -2.3666   64.1718   81.1819  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   12 1
     8    5    6 1
     9    6   20 1
    10    7    8 1
    11    8    9 1
    12   10   12 2
    13   11   12 2
    14   12   17 1
    15   13   14 1
    16   13   17 1
    17   14   18 1
    18   15   16 1
    19   15   18 1
    20   16   17 1
    21   18   19 1
    22   20   22 2
    23   20   23 1
    24   21   23 1
    25   21   24 2
    26   21   25 1
    27   22   26 1
    28   25   26 2
    29   25   29 1
    30   26   27 1
    31   27   28 2
    32   27   31 1
    33   28   29 1
    34   29   30 1
    35   31   32 1
    36   32   33 1
    37    2   34 1
    38    3   35 1
    39    5   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44    9   41 1
    45   13   42 1
    46   13   43 1
    47   14   44 1
    48   14   45 1
    49   15   46 1
    50   15   47 1
    51   16   48 1
    52   16   49 1
    53   18   50 1
    54   19   51 1
    55   19   52 1
    56   19   53 1
    57   23   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
    61   31   58 1
    62   31   59 1
    63   32   60 1
    64   32   61 1
    65   33   62 1
    66   33   63 1
    67   33   64 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9204
  Crash		| -1.1702
  Polar		| 2.9485
  FragIndex	| 1
  FragRMSD	| 0.810