@<TRIPOS>MOLECULE
BindingDB_25408
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4841   90.8869   34.0319  C     
2    C        47.9753   92.1938   33.9509  C     
3    C        48.5428   93.2425   34.7142  C     
4    C        49.5889   92.9375   35.6164  C     
5    C        50.0821   91.6229   35.7222  C     
6    C        49.5634   90.6060   34.8922  C     
7    O        47.9459   89.9137   33.2538  O     
8    O        50.0480   89.3309   34.9316  O     
9    C        51.2319   89.0865   34.2707  C     
10   C        52.0279   88.0219   34.7541  C     
11   C        51.6582   89.7834   33.1103  C     
12   C        52.8827   89.4653   32.4862  C     
13   C        53.6820   88.4230   33.0001  C     
14   C        53.2466   87.6977   34.1221  C     
15   Cl       51.5435   87.1185   36.1036  Cl    
16   Cl       55.1583   88.0438   32.2639  Cl    
17   C        48.0211   94.6290   34.5575  C     
18   C        48.4638   95.3123   33.2317  C     
19   C        49.9426   95.7605   33.2014  C     
20   H        47.1889   92.3813   33.3249  H     
21   H        50.0023   93.6692   36.1985  H     
22   H        50.8348   91.4134   36.3789  H     
23   H        48.6726   89.6063   32.6681  H     
24   H        51.0921   90.5334   32.7126  H     
25   H        53.1924   89.9922   31.6652  H     
26   H        53.8168   86.9291   34.4873  H     
27   H        46.9286   94.5817   34.5739  H     
28   H        48.3216   95.2595   35.4008  H     
29   H        48.2819   94.6435   32.3870  H     
30   H        47.8464   96.2013   33.0823  H     
31   H        50.1407   96.4744   34.0046  H     
32   H        50.1590   96.2451   32.2461  H     
33   H        50.6088   94.9052   33.3150  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   17   18 1
    20   18   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24    7   23 1
    25   11   24 1
    26   12   25 1
    27   14   26 1
    28   17   27 1
    29   17   28 1
    30   18   29 1
    31   18   30 1
    32   19   31 1
    33   19   32 1
    34   19   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0654
  Crash		| -0.7907
  Polar		| 1.2869
  FragIndex	| 1
  FragRMSD	| 0.176