@<TRIPOS>MOLECULE
BindingDB_25414
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4240   90.9838   34.0885  C     
2    C        47.9461   92.3076   34.1104  C     
3    C        48.5381   93.2765   34.9585  C     
4    C        49.5819   92.8732   35.8244  C     
5    C        50.0693   91.5522   35.7929  C     
6    C        49.5187   90.6119   34.8963  C     
7    O        47.8316   90.0764   33.2695  O     
8    O        49.9746   89.3257   34.8376  O     
9    C        51.1912   89.1236   34.2235  C     
10   C        52.0129   88.0798   34.7139  C     
11   C        51.6086   89.8312   33.0683  C     
12   C        52.8359   89.5399   32.4455  C     
13   C        53.6567   88.5153   32.9540  C     
14   C        53.2426   87.7825   34.0852  C     
15   Cl       51.5419   87.1472   36.0538  Cl    
16   Cl       55.1366   88.1651   32.2107  Cl    
17   C        48.0850   94.6246   34.9276  C     
18   C        48.9494   95.7241   34.6400  C     
19   C        48.4010   97.0313   34.5758  C     
20   C        47.0299   97.2530   34.7861  C     
21   C        46.1809   96.1691   35.0625  C     
22   C        46.7062   94.8677   35.1409  C     
23   C        50.3975   95.5444   34.3389  C     
24   H        47.1786   92.5683   33.4868  H     
25   H        50.0018   93.5389   36.4792  H     
26   H        50.8374   91.2779   36.4103  H     
27   H        48.5267   89.8122   32.6199  H     
28   H        51.0177   90.5654   32.6749  H     
29   H        53.1258   90.0697   31.6228  H     
30   H        53.8352   87.0308   34.4508  H     
31   H        48.9952   97.8407   34.3741  H     
32   H        46.6455   98.2006   34.7336  H     
33   H        45.1821   96.3281   35.2175  H     
34   H        46.0648   94.0960   35.3507  H     
35   H        50.9160   95.1623   35.2178  H     
36   H        50.8833   96.4820   34.0589  H     
37   H        50.5173   94.8424   33.5155  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   17   22 2
    21   18   19 2
    22   18   23 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
    36   22   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3176
  Crash		| -1.2372
  Polar		| 1.2226
  FragIndex	| 1
  FragRMSD	| 0.133