@<TRIPOS>MOLECULE
BindingDB_50204723
 53 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.6868    9.0817  -20.3771  C     
2    C         0.6826    7.9498  -19.5204  C     
3    C        -0.4759    7.6539  -18.7635  C     
4    C        -0.4534    9.9023  -20.4891  C     
5    C        -1.5869    9.5805  -19.7291  C     
6    C        -1.6000    8.4898  -18.8541  C     
7    C        -2.8806    8.3868  -18.1238  C     
8    C        -2.8274   10.1682  -19.6596  C     
9    C        -3.6116    9.4969  -18.7535  C     
10   C        -4.8554   10.1349  -18.7777  C     
11   N        -4.7452   11.1196  -19.7015  N     
12   N        -3.5509   11.1348  -20.2195  N     
13   C        -6.0412    9.8525  -18.0426  C     
14   C        -6.2433    8.6139  -17.3885  C     
15   C        -7.4070    8.3640  -16.6471  C     
16   C        -8.4156    9.3467  -16.5212  C     
17   C        -8.2359   10.5734  -17.2046  C     
18   C        -7.0717   10.8195  -17.9533  C     
19   C        -9.5702    9.1136  -15.7315  C     
20   O       -10.4642   10.0953  -15.4699  O     
21   O        -9.8397    7.9020  -15.1949  O     
22   C         1.8801    7.0862  -19.3783  C     
23   N         1.6689    5.6981  -19.8556  N     
24   C         2.9757    5.1709  -22.1074  C     
25   C         1.6189    5.3736  -21.3056  C     
26   C         4.1080    4.6045  -21.1960  C     
27   C         2.7344    4.1518  -23.2778  C     
28   C         3.4504    6.5050  -22.7691  C     
29   H         1.5149    9.3137  -20.9280  H     
30   H        -0.4984    6.8349  -18.1407  H     
31   H        -0.4526   10.7168  -21.1048  H     
32   H        -3.3590    7.4254  -18.3117  H     
33   H        -2.7451    8.5561  -17.0522  H     
34   H        -3.2467   11.6995  -20.9473  H     
35   H        -5.5478    7.8711  -17.4531  H     
36   H        -7.5065    7.4551  -16.1852  H     
37   H        -8.9551   11.2988  -17.1685  H     
38   H        -6.9814   11.7253  -18.4227  H     
39   H         2.7540    7.5307  -19.8484  H     
40   H         2.1418    7.0285  -18.3229  H     
41   H         2.3906    5.1144  -19.4288  H     
42   H         0.7698    5.3896  -19.4677  H     
43   H         1.0659    4.4315  -21.3171  H     
44   H         0.9787    6.0896  -21.8259  H     
45   H         4.3991    5.3257  -20.4337  H     
46   H         5.0041    4.3734  -21.7790  H     
47   H         3.7745    3.6917  -20.6958  H     
48   H         2.4967    3.1596  -22.8870  H     
49   H         3.6238    4.0599  -23.9082  H     
50   H         1.9005    4.4796  -23.9086  H     
51   H         2.6935    6.8860  -23.4566  H     
52   H         4.3809    6.3570  -23.3173  H     
53   H         3.6449    7.2797  -22.0320  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   22 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   10   13 1
    16   11   12 1
    17   13   14 2
    18   13   18 1
    19   14   15 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   17   18 2
    24   19   20 2
    25   19   21 1
    26   22   23 1
    27   23   25 1
    28   24   25 1
    29   24   26 1
    30   24   27 1
    31   24   28 1
    32    1   29 1
    33    3   30 1
    34    4   31 1
    35    7   32 1
    36    7   33 1
    37   12   34 1
    38   14   35 1
    39   15   36 1
    40   17   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   26   47 1
    51   27   48 1
    52   27   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   28   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9877
  Crash		| -0.9256
  Polar		| 3.0345
  FragIndex	| 1
  FragRMSD	| 0.611