@<TRIPOS>MOLECULE
BindingDB_36588
 55 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.6180   28.5680   18.2664  C     
2    C        17.5880   27.3621   19.2400  C     
3    C        17.1393   27.8617   20.6275  C     
4    C        15.7196   28.5174   20.5851  C     
5    C        15.2616   29.0528   19.1817  C     
6    C        16.4444   29.6053   18.3077  C     
7    O        18.2990   28.3112   17.0206  O     
8    O        14.2277   30.0599   19.3067  O     
9    O        15.6454   29.5477   21.5962  O     
10   C        18.9931   29.1574   17.9546  C     
11   C        15.9526   30.0092   16.8686  C     
12   C        15.9020   31.4657   16.3846  C     
13   C        16.3732   32.7230   17.1497  C     
14   C        17.8247   32.8734   17.2708  C     
15   C        18.6462   33.6248   16.4944  C     
16   C        20.0681   33.6638   16.8386  C     
17   C        18.1685   34.3547   15.3257  C     
18   C        13.0413   29.6703   20.0284  C     
19   C        15.2274   29.4027   22.8866  C     
20   O        14.8524   28.1844   23.3347  O     
21   N        15.1439   30.4149   23.7862  N     
22   C        15.4232   31.7016   23.5884  C     
23   C        15.2671   32.6994   24.6278  C     
24   O        15.7888   32.1122   22.4907  O     
25   Cl       15.5031   32.1348   26.2908  Cl    
26   O        16.9862   30.5836   16.0527  O     
27   C        15.2239   28.9451   16.0137  C     
28   H        16.8600   26.6375   18.8648  H     
29   H        18.5530   26.8677   19.3085  H     
30   H        17.1393   27.0150   21.3259  H     
31   H        17.8736   28.5845   20.9948  H     
32   H        15.0105   27.7197   20.8437  H     
33   H        14.8546   28.1997   18.6323  H     
34   H        16.8188   30.4921   18.8252  H     
35   H        19.0650   30.1856   17.5717  H     
36   H        19.8983   28.6582   18.3214  H     
37   H        15.2665   31.6461   15.5194  H     
38   H        15.9461   33.5963   16.6559  H     
39   H        15.9397   32.7040   18.1513  H     
40   H        18.2566   32.3096   17.9828  H     
41   H        20.1956   34.0367   17.8601  H     
42   H        20.6535   34.3124   16.1817  H     
43   H        20.4981   32.6587   16.7806  H     
44   H        17.6364   33.6778   14.6548  H     
45   H        18.9767   34.8129   14.7553  H     
46   H        17.4970   35.1506   15.6448  H     
47   H        12.5868   28.7774   19.5902  H     
48   H        12.3165   30.4855   19.9667  H     
49   H        13.2535   29.4837   21.0851  H     
50   H        14.8379   30.1709   24.6773  H     
51   H        15.9811   33.5135   24.4644  H     
52   H        14.2551   33.1147   24.5623  H     
53   H        15.7554   27.9930   16.1002  H     
54   H        15.1835   29.2154   14.9529  H     
55   H        14.1936   28.8123   16.3690  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1    7 1
     4    1   10 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    4    9 1
     9    5    6 1
    10    5    8 1
    11    6   11 1
    12    7   10 1
    13    8   18 1
    14    9   19 1
    15   11   12 1
    16   11   26 1
    17   11   27 1
    18   12   13 1
    19   12   26 1
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   19   20 2
    25   19   21 am
    26   21   22 am
    27   22   23 1
    28   22   24 2
    29   23   25 1
    30    2   28 1
    31    2   29 1
    32    3   30 1
    33    3   31 1
    34    4   32 1
    35    5   33 1
    36    6   34 1
    37   10   35 1
    38   10   36 1
    39   12   37 1
    40   13   38 1
    41   13   39 1
    42   14   40 1
    43   16   41 1
    44   16   42 1
    45   16   43 1
    46   17   44 1
    47   17   45 1
    48   17   46 1
    49   18   47 1
    50   18   48 1
    51   18   49 1
    52   21   50 1
    53   23   51 1
    54   23   52 1
    55   27   53 1
    56   27   54 1
    57   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8070
  Crash		| -2.6852
  Polar		| 0.9264
  FragIndex	| 1
  FragRMSD	| 1.317