@<TRIPOS>MOLECULE
BindingDB_50388143
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        93.8882   64.2270  -11.4351  N     
2    C        92.5651   64.5253  -11.3055  C     
3    N        91.6074   63.5695  -11.3189  N     
4    C        94.2751   62.9425  -11.6222  C     
5    C        93.3368   61.9261  -11.7039  C     
6    C        92.0007   62.2636  -11.5117  C     
7    N        91.2636   61.1443  -11.6053  N     
8    C        92.1233   60.1448  -11.8603  C     
9    N        93.3894   60.6012  -11.9499  N     
10   C        90.1990   63.8970  -11.2078  C     
11   O        95.4469   62.5905  -11.6608  O     
12   O        92.2102   65.6911  -11.1550  O     
13   C        94.5386   59.8274  -12.3105  C     
14   N        93.2321   68.8620   -4.0634  N     
15   C        93.5464   68.8106   -5.3753  C     
16   N        92.6443   68.4482   -6.3279  N     
17   C        91.3704   68.1448   -5.9754  C     
18   C        91.9559   68.5059   -3.6961  C     
19   C        90.9906   68.1546   -4.6375  C     
20   N        89.8450   67.9114   -3.9631  N     
21   C        90.1210   68.0831   -2.6513  C     
22   N        91.3992   68.4506   -2.4762  N     
23   C        88.5660   67.5692   -4.5051  C     
24   O        90.5136   67.8190   -6.7870  O     
25   O        94.6912   69.1064   -5.7091  O     
26   C        93.0507   68.3778   -7.7302  C     
27   C        94.1822   69.3066   -3.0674  C     
28   C        93.7308   67.0258   -8.0753  C     
29   C        94.4666   67.0798   -9.4431  C     
30   C        95.1274   65.7238   -9.8490  C     
31   C        94.9027   65.2779  -11.3276  C     
32   H        91.8327   59.1743  -12.0025  H     
33   H        90.0219   64.5455  -10.3440  H     
34   H        89.5669   63.0152  -11.0798  H     
35   H        89.8763   64.4202  -12.1136  H     
36   H        94.9511   60.2088  -13.2462  H     
37   H        94.2857   58.7750  -12.4526  H     
38   H        95.3023   59.8937  -11.5355  H     
39   H        89.4553   67.9723   -1.8828  H     
40   H        88.2500   68.3332   -5.2154  H     
41   H        87.8063   67.4981   -3.7259  H     
42   H        88.6244   66.6093   -5.0165  H     
43   H        92.2072   68.5063   -8.4172  H     
44   H        93.7303   69.2026   -7.9580  H     
45   H        95.0835   68.6939   -3.1169  H     
46   H        93.8003   69.2459   -2.0468  H     
47   H        94.4532   70.3472   -3.2594  H     
48   H        94.4422   66.7441   -7.2915  H     
49   H        92.9540   66.2550   -8.1159  H     
50   H        93.7506   67.4045  -10.1986  H     
51   H        95.2423   67.8528   -9.3930  H     
52   H        96.2016   65.8124   -9.6702  H     
53   H        94.7966   64.9237   -9.1810  H     
54   H        95.8697   64.9472  -11.7156  H     
55   H        94.6395   66.1302  -11.9612  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   31 1
     4    2    3 1
     5    2   12 2
     6    3    6 1
     7    3   10 1
     8    4    5 1
     9    4   11 2
    10    5    6 2
    11    5    9 1
    12    6    7 1
    13    7    8 2
    14    8    9 1
    15    9   13 1
    16   14   15 1
    17   14   18 1
    18   14   27 1
    19   15   16 1
    20   15   25 2
    21   16   17 1
    22   16   26 1
    23   17   19 1
    24   17   24 2
    25   18   19 2
    26   18   22 1
    27   19   20 1
    28   20   21 1
    29   20   23 1
    30   21   22 2
    31   26   28 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35    8   32 1
    36   10   33 1
    37   10   34 1
    38   10   35 1
    39   13   36 1
    40   13   37 1
    41   13   38 1
    42   21   39 1
    43   23   40 1
    44   23   41 1
    45   23   42 1
    46   26   43 1
    47   26   44 1
    48   27   45 1
    49   27   46 1
    50   27   47 1
    51   28   48 1
    52   28   49 1
    53   29   50 1
    54   29   51 1
    55   30   52 1
    56   30   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.8861
  Crash		| -2.0242
  Polar		| 2.7377
  FragIndex	| 1
  FragRMSD	| 0.630