@<TRIPOS>MOLECULE
BindingDB_25420
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        49.4868   94.8741   34.0674  C     
2    C        49.4008   96.2729   33.9532  C     
3    C        50.2642   97.1081   34.6904  C     
4    C        51.2189   96.5259   35.5518  C     
5    C        51.2960   95.1277   35.6824  C     
6    C        50.4367   94.2925   34.9361  C     
7    O        48.6776   94.0744   33.3356  O     
8    O        50.5010   92.9261   35.0157  O     
9    C        51.5387   92.2738   34.3861  C     
10   C        51.9445   91.0227   34.9018  C     
11   C        52.1840   92.7818   33.2325  C     
12   C        53.2491   92.0823   32.6409  C     
13   C        53.6543   90.8464   33.1724  C     
14   C        52.9926   90.3076   34.2928  C     
15   Cl       51.1618   90.3334   36.2394  Cl    
16   C        50.0542   98.5932   34.7033  C     
17   Cl       54.9490   90.0177   32.4685  Cl    
18   C        48.9800   99.0515   35.7271  C     
19   C        48.1445   97.9165   36.1770  C     
20   C        46.7965   95.4643   36.6131  C     
21   C        46.2542   96.4287   35.7371  C     
22   C        46.9052   97.6618   35.5448  C     
23   C        48.6935   96.9407   37.0492  C     
24   C        48.0154   95.7189   37.2658  C     
25   H        48.6626   96.6755   33.3580  H     
26   H        51.8485   97.1182   36.1091  H     
27   H        51.9809   94.7225   36.3244  H     
28   H        48.5318   94.5474   32.4938  H     
29   H        51.8864   93.6671   32.8241  H     
30   H        53.7159   92.4711   31.8248  H     
31   H        53.2802   89.4043   34.6689  H     
32   H        50.9937   99.0857   34.9516  H     
33   H        49.7714   98.9468   33.6999  H     
34   H        49.4717   99.4981   36.5925  H     
35   H        48.3658   99.8370   35.2629  H     
36   H        46.3079   94.5779   36.7596  H     
37   H        45.3763   96.2465   35.2514  H     
38   H        46.4980   98.3531   34.9082  H     
39   H        49.6373   97.0714   37.4399  H     
40   H        48.4328   95.0073   37.8747  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   16 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   17 1
    19   16   18 1
    20   18   19 1
    21   19   22 2
    22   19   23 1
    23   20   21 2
    24   20   24 1
    25   21   22 1
    26   23   24 2
    27    2   25 1
    28    4   26 1
    29    5   27 1
    30    7   28 1
    31   11   29 1
    32   12   30 1
    33   14   31 1
    34   16   32 1
    35   16   33 1
    36   18   34 1
    37   18   35 1
    38   20   36 1
    39   21   37 1
    40   22   38 1
    41   23   39 1
    42   24   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4459
  Crash		| -2.5085
  Polar		| 0.0060
  FragIndex	| 1
  FragRMSD	| 0.302