@<TRIPOS>MOLECULE
BindingDB_50192355
 38 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.9076   55.8775   22.3965  C     
2    C         6.0355   55.4363   21.3780  C     
3    C         4.7862   54.8743   21.7037  C     
4    C         6.5350   55.7567   23.7550  C     
5    C         5.2820   55.1984   24.0854  C     
6    C         4.4266   54.7765   23.0576  C     
7    N         3.2863   54.3122   23.5859  N     
8    C         4.5998   54.9598   25.2907  C     
9    C         3.3629   54.4121   24.9218  C     
10   C         2.4001   54.0257   25.8682  C     
11   C         2.6658   54.1833   27.2536  C     
12   C         4.8687   55.1300   26.6690  C     
13   C         3.9115   54.7607   27.6312  C     
14   C         4.4870   55.0266   28.8510  C     
15   N         5.6932   55.5091   28.6490  N     
16   C         5.9558   55.5813   27.3635  C     
17   O         4.0100   54.8640   29.9651  O     
18   O         7.0299   55.9509   26.9195  O     
19   O         8.0899   56.4461   22.0505  O     
20   C         1.7156   53.6889   28.1873  C     
21   C         1.1139   54.5213   29.1600  C     
22   C         0.1425   54.0097   30.0461  C     
23   C        -0.2569   52.6580   29.9590  C     
24   C         0.3157   51.8332   28.9700  C     
25   C         1.2983   52.3395   28.1043  C     
26   C        -1.1669   52.1606   30.7486  C     
27   N        -1.9730   51.7013   31.4261  N     
28   H         6.3059   55.5297   20.3964  H     
29   H         4.1462   54.5616   20.9700  H     
30   H         7.1663   56.0991   24.4758  H     
31   H         2.5301   53.9669   23.0860  H     
32   H         1.5177   53.6236   25.5403  H     
33   H         6.3129   55.7734   29.3504  H     
34   H         8.7475   56.1049   22.6915  H     
35   H         1.3598   55.5126   29.2147  H     
36   H        -0.2779   54.6360   30.7420  H     
37   H         0.0175   50.8598   28.8581  H     
38   H         1.7012   51.7104   27.4014  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 3
    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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3386
  Crash		| -1.2508
  Polar		| 5.3839
  FragIndex	| 1
  FragRMSD	| 0.195