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


@<TRIPOS>ATOM
1    C        35.8797   -3.4213   13.5447  C     
2    C        36.4075   -2.1974   13.3396  C     
3    N        35.9767   -1.3946   12.3168  N     
4    C        35.0070   -1.8654   11.5008  C     
5    N        34.4983   -3.0828   11.6936  N     
6    C        34.9104   -3.8536   12.7007  C     
7    O        34.3989   -4.9589   12.8437  O     
8    O        34.5431   -1.2303   10.5646  O     
9    C        36.6118   -0.0952   12.1160  C     
10   O        38.0229   -0.2563   11.8816  O     
11   C        38.7184    0.9322   12.2984  C     
12   C        37.7170    1.8094   13.1047  C     
13   C        36.5135    0.8776   13.3160  C     
14   O        35.2632    1.5673   13.4034  O     
15   O        37.3567    2.9783   12.3589  O     
16   C        40.0331    0.5005   13.0326  C     
17   N        41.2802    0.6986   12.2349  N     
18   C        42.5230    0.2807   12.9363  C     
19   C        43.6042    0.2057   11.8423  C     
20   C        42.8189    0.0402   10.5241  C     
21   C        41.3339   -0.0016   10.9307  C     
22   H        36.1935   -3.9867   14.3045  H     
23   H        37.1353   -1.8980   13.9466  H     
24   H        33.8020   -3.4095   11.0997  H     
25   H        36.2093    0.4228   11.2391  H     
26   H        38.9836    1.4674   11.3822  H     
27   H        38.1235    2.1332   14.0610  H     
28   H        36.6545    0.3423   14.2566  H     
29   H        34.9891    1.7770   12.4829  H     
30   H        36.8471    3.5442   12.9794  H     
31   H        40.1388    1.0790   13.9514  H     
32   H        39.9688   -0.5471   13.3394  H     
33   H        41.3629    1.6989   12.0451  H     
34   H        42.7988    1.0046   13.7135  H     
35   H        42.4081   -0.7106   13.4001  H     
36   H        44.1826    1.1322   11.8233  H     
37   H        44.2768   -0.6342   12.0168  H     
38   H        43.0021    0.9012    9.8685  H     
39   H        43.1043   -0.8774    9.9960  H     
40   H        40.9987   -1.0455   11.0189  H     
41   H        40.7216    0.5037   10.1823  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	| 5.9982
  Crash		| -0.4915
  Polar		| 4.9425
  FragIndex	| 1
  FragRMSD	| 0.614