@<TRIPOS>MOLECULE
BindingDB_50261156
 62 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.9229   65.1569   86.1710  N     
2    C         1.1714   65.1862   84.8173  C     
3    N         0.5649   64.2661   84.0150  N     
4    C         0.0585   64.2998   86.7169  C     
5    C        -0.6046   63.3867   85.9181  C     
6    C        -0.2814   63.3672   84.5695  C     
7    C        -1.0040   62.3330   84.0015  C     
8    N        -1.7460   61.7950   84.9845  N     
9    N        -1.5276   62.4213   86.1020  N     
10   C        -0.9779   61.9393   82.5875  C     
11   C        -2.2254   62.4260   81.7780  C     
12   C        -2.1739   62.1041   87.3293  C     
13   O        -0.1142   64.3422   87.9259  O     
14   C         2.0184   66.1639   84.2470  C     
15   C         3.3952   66.2490   84.5743  C     
16   C         4.2015   67.2215   83.9391  C     
17   C         3.6438   68.1016   82.9875  C     
18   C         2.2883   67.9922   82.6282  C     
19   C         1.4867   67.0368   83.2695  C     
20   O         3.9412   65.2931   85.3909  O     
21   C         4.8026   65.7517   86.4491  C     
22   C         5.1011   64.5482   87.3646  C     
23   S         1.6247   68.9683   81.3574  S     
24   N         1.7040   70.6296   81.6297  N     
25   O         2.5104   68.7372   80.0586  O     
26   O         0.1574   68.5633   80.8887  O     
27   C         0.8647   71.2906   82.5745  C     
28   C        -2.8899   63.7180   82.2862  C     
29   C         1.1104   72.8186   82.5669  C     
30   N         2.3678   73.2380   83.2480  N     
31   C         3.6758   72.9886   82.5734  C     
32   C         3.6563   73.2182   81.1199  C     
33   O         3.4161   72.2219   80.2398  O     
34   O         3.9393   74.4473   80.6337  O     
35   H         1.3770   65.8111   86.7466  H     
36   H        -0.0732   62.3581   82.1268  H     
37   H        -0.8973   60.8464   82.5147  H     
38   H        -1.8787   62.5954   80.7411  H     
39   H        -2.9701   61.6140   81.7387  H     
40   H        -1.4132   61.8086   88.0686  H     
41   H        -2.8925   61.2781   87.2035  H     
42   H        -2.7217   62.9832   87.7053  H     
43   H         5.1915   67.2839   84.1593  H     
44   H         4.2539   68.7817   82.5285  H     
45   H         0.4867   66.9751   83.0265  H     
46   H         5.7405   66.1300   86.0285  H     
47   H         4.3407   66.5394   87.0471  H     
48   H         4.1680   64.1926   87.8193  H     
49   H         5.7920   64.8475   88.1585  H     
50   H         5.5496   63.7407   86.7780  H     
51   H         2.4594   71.1074   81.2725  H     
52   H        -0.1780   71.0956   82.3219  H     
53   H         1.0587   70.8931   83.5739  H     
54   H        -3.3887   63.5315   83.2366  H     
55   H        -3.6206   64.0585   81.5614  H     
56   H        -2.1337   64.4956   82.4107  H     
57   H         1.0984   73.2114   81.5423  H     
58   H         0.2933   73.2933   83.1163  H     
59   H         2.3011   74.2581   83.4207  H     
60   H         2.3942   72.7591   84.1657  H     
61   H         4.4102   73.6715   83.0106  H     
62   H         4.0143   71.9634   82.8059  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    2    3 2
     4    2   14 1
     5    3    6 1
     6    4    5 1
     7    4   13 2
     8    5    6 2
     9    5    9 1
    10    6    7 1
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    9   12 1
    15   10   11 1
    16   11   28 1
    17   14   15 2
    18   14   19 1
    19   15   16 1
    20   15   20 1
    21   16   17 2
    22   17   18 1
    23   18   19 2
    24   18   23 1
    25   20   21 1
    26   21   22 1
    27   23   24 1
    28   23   25 2
    29   23   26 2
    30   24   27 1
    31   27   29 1
    32   29   30 1
    33   30   31 1
    34   31   32 1
    35   32   33 1
    36   32   34 2
    37    1   35 1
    38   10   36 1
    39   10   37 1
    40   11   38 1
    41   11   39 1
    42   12   40 1
    43   12   41 1
    44   12   42 1
    45   16   43 1
    46   17   44 1
    47   19   45 1
    48   21   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   22   50 1
    53   24   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   29   57 1
    60   29   58 1
    61   30   59 1
    62   30   60 1
    63   31   61 1
    64   31   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6277
  Crash		| -1.4660
  Polar		| 4.8521
  FragIndex	| 1
  FragRMSD	| 0.461