@<TRIPOS>MOLECULE
BindingDB_50192413
 41 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9017   55.8743   22.3046  C     
2    C         6.0198   55.4523   21.2857  C     
3    C         4.7763   54.8747   21.6121  C     
4    C         6.5406   55.7143   23.6601  C     
5    C         5.2956   55.1433   23.9941  C     
6    C         4.4350   54.7313   22.9640  C     
7    N         3.3070   54.2541   23.4936  N     
8    C         4.6235   54.8930   25.1995  C     
9    C         3.3886   54.3400   24.8291  C     
10   C         2.4311   53.9528   25.7820  C     
11   C         2.6927   54.1422   27.1647  C     
12   C         4.8797   55.0600   26.5775  C     
13   C         3.9285   54.7207   27.5466  C     
14   C         4.4988   55.0079   28.7538  C     
15   N         5.7094   55.4841   28.5507  N     
16   C         5.9656   55.5135   27.2638  C     
17   O         4.0293   54.8921   29.8737  O     
18   O         7.0447   55.8556   26.8114  O     
19   O         8.0683   56.4781   21.9644  O     
20   C         1.7398   53.6778   28.1048  C     
21   C         1.1008   54.5528   29.0072  C     
22   C         0.1369   54.0656   29.9169  C     
23   C        -0.2254   52.6954   29.9204  C     
24   C         0.3800   51.8396   28.9780  C     
25   C         1.3605   52.3169   28.0947  C     
26   C        -1.1952   52.1210   30.8815  C     
27   O        -2.3226   51.5591   30.1996  O     
28   H         6.2676   55.5818   20.3077  H     
29   H         4.1258   54.5904   20.8800  H     
30   H         7.1795   56.0474   24.3800  H     
31   H         2.5482   53.9053   22.9952  H     
32   H         1.5550   53.5262   25.4499  H     
33   H         6.3305   55.7708   29.2521  H     
34   H         8.7333   56.1648   22.6080  H     
35   H         1.3152   55.5592   28.9961  H     
36   H        -0.3037   54.7207   30.5801  H     
37   H         0.1005   50.8612   28.9238  H     
38   H         1.7841   51.6581   27.4276  H     
39   H        -0.7334   51.3040   31.4346  H     
40   H        -1.5239   52.8712   31.6074  H     
41   H        -2.9039   52.3212   29.9059  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   19 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   11   20 1
    17   12   13 2
    18   12   16 1
    19   13   14 1
    20   14   15 1
    21   14   17 2
    22   15   16 1
    23   16   18 2
    24   20   21 2
    25   20   25 1
    26   21   22 1
    27   22   23 2
    28   23   24 1
    29   23   26 1
    30   24   25 2
    31   26   27 1
    32    2   28 1
    33    3   29 1
    34    4   30 1
    35    7   31 1
    36   10   32 1
    37   15   33 1
    38   19   34 1
    39   21   35 1
    40   22   36 1
    41   24   37 1
    42   25   38 1
    43   26   39 1
    44   26   40 1
    45   27   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4717
  Crash		| -2.1253
  Polar		| 5.3317
  FragIndex	| 1
  FragRMSD	| 0.223