@<TRIPOS>MOLECULE
BindingDB_25409
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.3981   90.8681   34.0534  C     
2    C        47.7198   92.1004   34.0210  C     
3    C        48.0716   93.1489   34.9012  C     
4    C        49.1415   92.9363   35.8017  C     
5    C        49.8451   91.7175   35.8183  C     
6    C        49.4735   90.6779   34.9451  C     
7    O        47.9640   89.8517   33.2642  O     
8    O        50.0692   89.4482   35.0211  O     
9    C        51.2444   89.2208   34.3384  C     
10   C        52.0157   88.1020   34.7343  C     
11   C        51.6665   89.9711   33.2121  C     
12   C        52.8495   89.6424   32.5284  C     
13   C        53.6202   88.5418   32.9446  C     
14   C        53.1993   87.7705   34.0439  C     
15   Cl       51.5367   87.1252   36.0374  Cl    
16   Cl       55.0417   88.1440   32.1184  Cl    
17   C        47.2688   94.4053   34.9474  C     
18   C        48.0328   95.7400   34.7260  C     
19   C        48.8137   95.8485   33.3813  C     
20   C        50.3154   95.4948   33.4969  C     
21   H        46.9313   92.2076   33.3789  H     
22   H        49.4067   93.6640   36.4678  H     
23   H        50.6059   91.5753   36.4874  H     
24   H        48.7303   89.5738   32.7204  H     
25   H        51.1107   90.7610   32.8771  H     
26   H        53.1396   90.2030   31.7246  H     
27   H        53.7532   86.9623   34.3384  H     
28   H        46.4580   94.3705   34.2138  H     
29   H        46.7915   94.4517   35.9270  H     
30   H        47.2843   96.5416   34.7455  H     
31   H        48.7047   95.9274   35.5685  H     
32   H        48.3471   95.2130   32.6222  H     
33   H        48.7517   96.8809   33.0205  H     
34   H        50.8236   96.2016   34.1579  H     
35   H        50.7813   95.5510   32.5112  H     
36   H        50.4502   94.4873   33.8923  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   19   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25    7   24 1
    26   11   25 1
    27   12   26 1
    28   14   27 1
    29   17   28 1
    30   17   29 1
    31   18   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9208
  Crash		| -0.6372
  Polar		| 1.3171
  FragIndex	| 1
  FragRMSD	| 0.514