@<TRIPOS>MOLECULE
BindingDB_25401
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4110   90.8549   34.0860  C     
2    C        47.8735   92.1441   33.9340  C     
3    C        48.3899   93.2335   34.6719  C     
4    C        49.4395   92.9987   35.5885  C     
5    C        49.9684   91.7054   35.7598  C     
6    C        49.4866   90.6367   34.9732  C     
7    O        47.9269   89.8384   33.3324  O     
8    O        50.0237   89.3862   35.0556  O     
9    C        51.1873   89.1490   34.3524  C     
10   C        51.9778   88.0530   34.7692  C     
11   C        51.5947   89.8915   33.2113  C     
12   C        52.7937   89.5810   32.5402  C     
13   C        53.5866   88.5038   32.9802  C     
14   C        53.1704   87.7386   34.0845  C     
15   Cl       51.5218   87.1024   36.0923  Cl    
16   Cl       55.0365   88.1306   32.1898  Cl    
17   C        47.8438   94.5871   34.4351  C     
18   H        47.1160   92.2891   33.2601  H     
19   H        49.8368   93.7711   36.1333  H     
20   H        50.7245   91.5466   36.4296  H     
21   H        48.6674   89.5862   32.7422  H     
22   H        51.0286   90.6672   32.8668  H     
23   H        53.0810   90.1433   31.7375  H     
24   H        53.7417   86.9468   34.3957  H     
25   H        47.9871   94.8574   33.3870  H     
26   H        48.3345   95.3409   35.0542  H     
27   H        46.7740   94.6056   34.6578  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    7   21 1
    23   11   22 1
    24   12   23 1
    25   14   24 1
    26   17   25 1
    27   17   26 1
    28   17   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4805
  Crash		| -0.6229
  Polar		| 1.3246
  FragIndex	| 1
  FragRMSD	| 0.243