@<TRIPOS>MOLECULE
BindingDB_50195198
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.9959   -2.4743   12.4131  C     
2    C        12.2198   -1.4847   11.7582  C     
3    C        12.7710   -0.6460   10.7708  C     
4    C        14.3627   -2.5871   12.0367  C     
5    C        14.9345   -1.7464   11.0543  C     
6    C        14.1260   -0.7739   10.4185  C     
7    N        14.6982    0.0332    9.4771  N     
8    C        15.9815   -0.0747    9.1379  C     
9    C        16.8209   -1.0227    9.7171  C     
10   C        16.2802   -1.8217   10.6757  C     
11   O        16.3629    0.7459    8.3166  O     
12   C        18.1748   -1.1546    9.3398  C     
13   N        18.8411   -0.3297    8.4991  N     
14   C        19.1006   -2.1405    9.7299  C     
15   C        20.3068   -1.8759    9.0965  C     
16   C        20.1080   -0.7296    8.3363  C     
17   C        21.1425   -0.1911    7.5561  C     
18   C        22.3853   -0.8525    7.5357  C     
19   C        22.5923   -2.0490    8.2755  C     
20   C        21.5438   -2.5463    9.0898  C     
21   C        23.8699   -2.8108    8.1463  C     
22   N        23.8704   -4.0282    7.2504  N     
23   C        24.2449   -5.2933    7.9548  C     
24   C        24.5072   -6.4504    6.9569  C     
25   C        23.3203   -6.6781    5.9743  C     
26   C        22.8987   -5.3293    5.3201  C     
27   C        22.6643   -4.2282    6.3842  C     
28   C        23.6971   -7.7715    4.9311  C     
29   N        22.7830   -7.8847    3.7838  N     
30   C        12.4464   -3.3119   13.3955  C     
31   O        13.1291   -4.1375   13.9868  O     
32   N        11.1835   -3.2924   13.7630  N     
33   H        11.2325   -1.3596   11.9903  H     
34   H        12.1843    0.0550   10.3106  H     
35   H        14.9603   -3.2867   12.4848  H     
36   H        14.1593    0.7260    9.0585  H     
37   H        16.8419   -2.4953   11.1379  H     
38   H        18.4646    0.4428    8.0518  H     
39   H        18.9392   -2.9378   10.3473  H     
40   H        20.9858    0.6465    6.9938  H     
41   H        23.1346   -0.4716    6.9513  H     
42   H        21.6651   -3.3903    9.6525  H     
43   H        24.6454   -2.1470    7.7508  H     
44   H        24.2097   -3.0547    9.1595  H     
45   H        24.6371   -3.8637    6.5920  H     
46   H        25.1686   -5.1441    8.5235  H     
47   H        23.4587   -5.5833    8.6584  H     
48   H        25.4095   -6.2086    6.3878  H     
49   H        24.7033   -7.3689    7.5197  H     
50   H        22.4651   -7.0460    6.5530  H     
51   H        23.6770   -4.9977    4.6278  H     
52   H        21.9717   -5.4646    4.7569  H     
53   H        21.8023   -4.4972    6.9992  H     
54   H        22.4251   -3.3041    5.8528  H     
55   H        24.6912   -7.5783    4.5202  H     
56   H        23.7226   -8.7446    5.4283  H     
57   H        21.8243   -8.0175    4.1124  H     
58   H        23.0579   -8.6901    3.2145  H     
59   H        22.8346   -7.0368    3.2132  H     
60   H        10.8743   -3.8996   14.4549  H     
61   H        10.5539   -2.6785   13.3576  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   30 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   16 1
    18   14   15 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   19   21 1
    26   21   22 1
    27   22   23 1
    28   22   27 1
    29   23   24 1
    30   24   25 1
    31   25   26 1
    32   25   28 1
    33   26   27 1
    34   28   29 1
    35   30   31 2
    36   30   32 am
    37    2   33 1
    38    3   34 1
    39    4   35 1
    40    7   36 1
    41   10   37 1
    42   13   38 1
    43   14   39 1
    44   17   40 1
    45   18   41 1
    46   20   42 1
    47   21   43 1
    48   21   44 1
    49   22   45 1
    50   23   46 1
    51   23   47 1
    52   24   48 1
    53   24   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   27   54 1
    59   28   55 1
    60   28   56 1
    61   29   57 1
    62   29   58 1
    63   29   59 1
    64   32   60 1
    65   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4430
  Crash		| -0.5649
  Polar		| 4.6711
  FragIndex	| 1
  FragRMSD	| 0.186