@<TRIPOS>MOLECULE
BindingDB_50292718
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -9.0157   54.6439    7.1247  C     
2    C        -9.8848   53.9643    6.3567  C     
3    N        -9.5280   52.8076    5.7159  N     
4    C        -8.2546   52.3647    5.8634  C     
5    N        -7.3962   53.0434    6.6280  N     
6    C        -7.7496   54.1619    7.2540  C     
7    O        -6.9266   54.7365    7.9482  O     
8    O        -7.8188   51.3496    5.3324  O     
9    C       -10.5544   52.0008    5.0625  C     
10   O       -11.6104   52.7597    4.4386  O     
11   C       -12.8914   52.1471    4.7044  C     
12   C       -12.6227   50.8318    5.4786  C     
13   C       -11.2387   51.0658    6.0806  C     
14   O       -10.4985   49.8619    6.2812  O     
15   O       -12.5890   49.7251    4.5771  O     
16   C       -13.7871   53.1946    5.4472  C     
17   N       -14.7970   53.9445    4.6378  N     
18   C       -16.1200   53.2999    4.5124  C     
19   C       -16.8732   54.2123    3.5320  C     
20   C       -15.7872   54.6619    2.5446  C     
21   C       -14.4431   54.4031    3.2655  C     
22   H        -9.2932   55.4813    7.5864  H     
23   H       -10.8044   54.3290    6.2749  H     
24   H        -6.4895   52.7184    6.7433  H     
25   H       -10.1176   51.4027    4.2537  H     
26   H       -13.3532   51.8936    3.7435  H     
27   H       -13.3596   50.6255    6.2617  H     
28   H       -11.3565   51.5824    7.0390  H     
29   H       -10.4312   49.7704    7.2569  H     
30   H       -13.0664   48.9915    5.0472  H     
31   H       -14.3187   52.7139    6.2687  H     
32   H       -13.1460   53.9439    5.9178  H     
33   H       -14.9738   54.8094    5.1641  H     
34   H       -16.0437   52.2835    4.1100  H     
35   H       -16.6332   53.2650    5.4794  H     
36   H       -17.6879   53.6837    3.0316  H     
37   H       -17.2782   55.0758    4.0698  H     
38   H       -15.8517   54.0710    1.6235  H     
39   H       -15.9029   55.7240    2.2925  H     
40   H       -13.8330   55.3122    3.3127  H     
41   H       -13.8870   53.6448    2.7003  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   16   17 1
    19   17   18 1
    20   17   21 1
    21   18   19 1
    22   19   20 1
    23   20   21 1
    24    1   22 1
    25    2   23 1
    26    5   24 1
    27    9   25 1
    28   11   26 1
    29   12   27 1
    30   13   28 1
    31   14   29 1
    32   15   30 1
    33   16   31 1
    34   16   32 1
    35   17   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8735
  Crash		| -0.9680
  Polar		| 3.7652
  FragIndex	| 1
  FragRMSD	| 0.799