@<TRIPOS>MOLECULE
BindingDB_25775
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.4672   48.6390   36.0886  C     
2    C        51.2290   47.4614   36.1993  C     
3    C        52.3925   47.2711   35.4223  C     
4    C        52.7567   48.2876   34.5116  C     
5    C        52.0142   49.4795   34.4304  C     
6    C        50.8708   49.6963   35.2383  C     
7    C        50.1459   50.8936   35.1567  C     
8    O        50.1239   51.3793   34.0301  O     
9    C        49.6833   51.2186   37.5800  C     
10   C        48.6458   52.6861   35.9307  C     
11   C        49.1240   53.9343   36.7309  C     
12   C        50.1853   52.4766   38.3516  C     
13   N        49.5104   51.5351   36.1668  N     
14   N        49.2864   53.6021   38.1392  N     
15   C        48.6483   54.2853   39.1611  C     
16   C        48.3477   53.6773   40.4120  C     
17   C        48.2558   55.6496   39.0250  C     
18   C        47.5970   56.3491   40.0533  C     
19   C        47.3144   55.7076   41.2659  C     
20   C        47.6864   54.3691   41.4442  C     
21   C        53.1901   46.0305   35.5701  C     
22   Cl       47.1577   57.9686   39.8457  Cl    
23   H        49.6113   48.7156   36.6358  H     
24   H        50.9294   46.7432   36.8606  H     
25   H        53.5746   48.1742   33.9086  H     
26   H        52.3211   50.1976   33.7739  H     
27   H        50.4023   50.4226   37.7666  H     
28   H        48.7234   50.8944   37.9989  H     
29   H        47.6315   52.4303   36.2594  H     
30   H        48.5715   52.9772   34.8794  H     
31   H        50.0810   54.2816   36.3294  H     
32   H        48.3914   54.7229   36.5536  H     
33   H        50.3436   52.2257   39.4022  H     
34   H        51.1766   52.7487   37.9663  H     
35   H        48.5515   52.6953   40.5853  H     
36   H        48.4961   56.1805   38.1892  H     
37   H        46.8428   56.2088   42.0183  H     
38   H        47.4562   53.8925   42.3179  H     
39   H        53.5709   45.9644   36.5916  H     
40   H        54.0408   46.0026   34.8855  H     
41   H        52.5610   45.1605   35.3705  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   21 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   14 1
    16   12   14 1
    17   14   15 1
    18   15   16 2
    19   15   17 1
    20   16   20 1
    21   17   18 2
    22   18   19 1
    23   18   22 1
    24   19   20 2
    25    1   23 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    9   27 1
    30    9   28 1
    31   10   29 1
    32   10   30 1
    33   11   31 1
    34   11   32 1
    35   12   33 1
    36   12   34 1
    37   16   35 1
    38   17   36 1
    39   19   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2057
  Crash		| -1.5925
  Polar		| 0.9720
  FragIndex	| 1
  FragRMSD	| 0.314