@<TRIPOS>MOLECULE
BindingDB_50337285
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.0828  -29.2698   61.1601  C     
2    C        25.2069  -30.3252   60.8179  C     
3    C        23.8538  -30.2950   61.2087  C     
4    C        23.3600  -29.2078   61.9438  C     
5    C        24.2117  -28.1523   62.3158  C     
6    C        25.5690  -28.1915   61.9181  C     
7    N        23.6573  -27.1524   63.0412  N     
8    C        24.2992  -26.0863   63.5706  C     
9    C        24.9994  -26.2023   64.7906  C     
10   C        25.5745  -25.0580   65.3773  C     
11   C        25.4700  -23.8114   64.7297  C     
12   C        24.7995  -23.7075   63.4998  C     
13   C        24.2060  -24.8385   62.9218  C     
14   C        27.4488  -29.2832   60.7788  C     
15   O        27.9399  -30.2324   59.9543  O     
16   O        28.3049  -28.2900   61.1318  O     
17   Br       26.1660  -22.2656   65.4930  Br    
18   H        25.5429  -31.1421   60.3012  H     
19   H        23.2301  -31.0705   60.9664  H     
20   H        22.3699  -29.1977   62.2102  H     
21   H        26.1795  -27.4149   62.1794  H     
22   H        22.7060  -27.2155   63.2192  H     
23   H        25.0594  -27.1009   65.2704  H     
24   H        26.0406  -25.1328   66.2801  H     
25   H        24.7122  -22.7959   63.0393  H     
26   H        23.6868  -24.7495   62.0456  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   14 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 1
     9    7    8 1
    10    8    9 2
    11    8   13 1
    12    9   10 1
    13   10   11 2
    14   11   12 1
    15   11   17 1
    16   12   13 2
    17   14   15 2
    18   14   16 1
    19    2   18 1
    20    3   19 1
    21    4   20 1
    22    6   21 1
    23    7   22 1
    24    9   23 1
    25   10   24 1
    26   12   25 1
    27   13   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2437
  Crash		| -2.0356
  Polar		| 1.2661
  FragIndex	| 1
  FragRMSD	| 1.344