@<TRIPOS>MOLECULE
BindingDB_17994
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        78.3807   25.2685   73.5532  C     
2    C        78.5089   24.3628   71.3685  C     
3    C        79.7027   23.6744   71.7117  C     
4    C        80.1903   23.7964   73.0428  C     
5    N        79.5013   24.5887   73.9062  N     
6    N        77.8901   25.1377   72.2973  N     
7    N        77.7799   26.0443   74.4621  N     
8    N        77.9499   24.2962   70.1377  N     
9    C        81.3945   23.1229   73.5852  C     
10   C        82.2054   24.0240   74.5432  C     
11   C        80.4608   23.0520   70.6954  C     
12   C        81.6297   23.6909   70.2356  C     
13   C        80.0704   21.8235   70.1384  C     
14   C        80.8372   21.2456   69.1123  C     
15   C        82.3997   23.1571   69.1743  C     
16   C        81.9651   21.9261   68.6126  C     
17   O        82.6425   21.4114   67.5289  O     
18   N        83.5397   23.7749   68.6414  N     
19   C        84.1967   24.8592   69.3586  C     
20   C        84.6463   24.4918   70.7953  C     
21   C        85.6011   27.6303   72.5766  C     
22   C        84.0057   23.3718   67.4386  C     
23   O        85.0563   23.8308   67.0075  O     
24   C        83.2679   22.3770   66.6296  C     
25   C        84.2283   21.6723   65.7065  C     
26   C        86.3382   20.8662   63.9438  C     
27   C        85.1141   21.3166   63.4095  C     
28   C        84.0841   21.7085   64.2841  C     
29   C        85.4686   21.1841   66.2083  C     
30   C        86.5000   20.7857   65.3425  C     
31   C        82.0951   23.0524   65.8269  C     
32   C        85.7803   26.3281   71.9837  C     
33   N        84.6992   25.6864   71.5752  N     
34   O        86.9033   25.8730   71.8225  O     
35   Cl       84.9038   21.4284   61.7319  Cl    
36   H        76.9876   26.5504   74.2425  H     
37   H        78.1814   26.1281   75.3409  H     
38   H        77.1339   24.7944   69.9442  H     
39   H        78.3324   23.7238   69.4522  H     
40   H        81.0489   22.2411   74.1303  H     
41   H        82.0631   22.7856   72.7928  H     
42   H        82.4013   25.0020   74.0951  H     
43   H        83.1598   23.5479   74.7771  H     
44   H        81.6587   24.1675   75.4720  H     
45   H        81.9208   24.5624   70.6867  H     
46   H        79.2267   21.3410   70.4763  H     
47   H        80.5413   20.3596   68.6903  H     
48   H        85.0918   25.2411   68.8672  H     
49   H        83.5132   25.7092   69.3928  H     
50   H        83.9125   23.8308   71.2707  H     
51   H        85.5954   23.9499   70.7528  H     
52   H        85.1604   28.3290   71.8501  H     
53   H        86.5526   28.0398   72.9255  H     
54   H        84.9343   27.5590   73.4400  H     
55   H        87.1029   20.6056   63.3205  H     
56   H        83.2324   22.0932   63.8754  H     
57   H        85.6767   21.1773   67.2091  H     
58   H        87.3883   20.4670   65.7271  H     
59   H        81.6301   22.3413   65.1377  H     
60   H        82.4450   23.9097   65.2561  H     
61   H        81.3111   23.4122   66.4905  H     
62   H        83.8437   26.1091   71.7430  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   18 1
    19   16   17 1
    20   17   24 1
    21   18   19 1
    22   18   22 1
    23   19   20 1
    24   20   33 1
    25   21   32 1
    26   22   23 2
    27   22   24 1
    28   24   25 1
    29   24   31 1
    30   25   28 1
    31   25   29 2
    32   26   27 1
    33   26   30 2
    34   27   28 2
    35   27   35 1
    36   29   30 1
    37   32   33 am
    38   32   34 2
    39    7   36 1
    40    7   37 1
    41    8   38 1
    42    8   39 1
    43    9   40 1
    44    9   41 1
    45   10   42 1
    46   10   43 1
    47   10   44 1
    48   12   45 1
    49   13   46 1
    50   14   47 1
    51   19   48 1
    52   19   49 1
    53   20   50 1
    54   20   51 1
    55   21   52 1
    56   21   53 1
    57   21   54 1
    58   26   55 1
    59   28   56 1
    60   29   57 1
    61   30   58 1
    62   31   59 1
    63   31   60 1
    64   31   61 1
    65   33   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8315
  Crash		| -3.8651
  Polar		| 5.4930
  FragIndex	| 1
  FragRMSD	| 0.886