@<TRIPOS>MOLECULE
BindingDB_50111902
 64 67 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.4708   67.6892   84.4479  C     
2    C         4.0546   68.6649   83.5233  C     
3    C         2.7061   68.7591   83.1321  C     
4    C         1.7756   67.8707   83.7084  C     
5    C         2.1747   66.9002   84.6582  C     
6    C         3.5395   66.8009   85.0338  C     
7    O         3.9175   65.7189   85.8051  O     
8    C         5.2673   65.5168   86.2667  C     
9    C         5.5909   66.2848   87.5653  C     
10   C         1.2043   66.0180   85.1816  C     
11   N         0.2988   65.4128   84.3637  N     
12   C         0.2270   64.9402   87.0430  C     
13   N         1.1404   65.7559   86.5193  N     
14   C        -0.6796   64.3257   86.1877  C     
15   N        -0.5967   64.5862   84.8679  N     
16   C        -1.5524   63.8788   84.2361  C     
17   N        -2.2577   63.1848   85.1515  N     
18   C        -1.7404   63.4406   86.3663  C     
19   C        -2.2248   62.8613   87.6268  C     
20   C        -1.8105   63.8336   82.7810  C     
21   C        -0.7301   63.0593   81.9798  C     
22   C        -0.4670   61.6251   82.4946  C     
23   O         0.2044   64.7624   88.2512  O     
24   S         2.2171   69.8344   81.8425  S     
25   N         2.4760   71.5071   81.9409  N     
26   O         3.0296   69.2866   80.5874  O     
27   O         0.6795   69.6218   81.4905  O     
28   C         2.5112   72.0955   83.2543  C     
29   C         2.9678   73.5815   83.2526  C     
30   N         2.3061   74.4087   82.2029  N     
31   C         2.4338   73.7608   80.8656  C     
32   C         1.9426   72.2908   80.8507  C     
33   C         0.9274   74.8542   82.5563  C     
34   H         5.4674   67.6067   84.6514  H     
35   H         4.7602   69.2575   83.0917  H     
36   H         0.7975   67.9114   83.4160  H     
37   H         5.3672   64.4504   86.4742  H     
38   H         5.9917   65.7559   85.4871  H     
39   H         5.5547   67.3614   87.3936  H     
40   H         6.5952   66.0240   87.9123  H     
41   H         4.8668   66.0186   88.3402  H     
42   H         1.7632   66.2051   87.1112  H     
43   H        -1.4359   62.2596   88.0782  H     
44   H        -3.0962   62.2284   87.4478  H     
45   H        -2.5059   63.6569   88.3166  H     
46   H        -2.7845   63.3715   82.5980  H     
47   H        -1.8599   64.8598   82.4095  H     
48   H        -1.0580   62.9943   80.9388  H     
49   H         0.2089   63.6175   81.9923  H     
50   H        -0.0563   61.6502   83.5048  H     
51   H         0.2503   61.1241   81.8428  H     
52   H        -1.3917   61.0470   82.5029  H     
53   H         1.5172   72.0185   83.7021  H     
54   H         3.2105   71.5578   83.8940  H     
55   H         2.8061   74.0157   84.2458  H     
56   H         4.0440   73.6064   83.0653  H     
57   H         2.8535   75.2697   82.1360  H     
58   H         1.8933   74.3342   80.1056  H     
59   H         3.4934   73.7824   80.5825  H     
60   H         2.2251   71.8611   79.8870  H     
61   H         0.8497   72.2845   80.9066  H     
62   H         0.2619   74.0080   82.7500  H     
63   H         0.5030   75.4549   81.7493  H     
64   H         0.9632   75.4851   83.4475  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   24 1
     6    4    5 1
     7    5    6 2
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12   10   11 2
    13   10   13 1
    14   11   15 1
    15   12   13 1
    16   12   14 1
    17   12   23 2
    18   14   15 1
    19   14   18 2
    20   15   16 1
    21   16   17 2
    22   16   20 1
    23   17   18 1
    24   18   19 1
    25   20   21 1
    26   21   22 1
    27   24   25 1
    28   24   26 2
    29   24   27 2
    30   25   28 1
    31   25   32 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35   30   33 1
    36   31   32 1
    37    1   34 1
    38    2   35 1
    39    4   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   19   43 1
    47   19   44 1
    48   19   45 1
    49   20   46 1
    50   20   47 1
    51   21   48 1
    52   21   49 1
    53   22   50 1
    54   22   51 1
    55   22   52 1
    56   28   53 1
    57   28   54 1
    58   29   55 1
    59   29   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	| 8.6165
  Crash		| -1.5441
  Polar		| 2.1722
  FragIndex	| 1
  FragRMSD	| 0.837