@<TRIPOS>MOLECULE
BindingDB_50169647
 71 75 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -0.4275   63.8180   84.4436  N     
2    C        -1.1575   63.6982   83.3128  C     
3    S         2.2320   70.0493   81.2921  S     
4    N         0.4695   64.7955   84.5944  N     
5    C         0.6688   65.7211   83.6068  C     
6    C        -0.7555   62.7776   85.2426  C     
7    N        -1.6605   62.0118   84.6025  N     
8    C        -1.0075   64.6258   82.3030  C     
9    N        -0.1006   65.5671   82.4876  N     
10   C        -1.9549   62.5675   83.4194  C     
11   C         1.6197   66.8004   83.6569  C     
12   N         2.6548   71.6254   81.7448  N     
13   C         2.4365   68.8595   82.5504  C     
14   C         1.5264   67.7959   82.6432  C     
15   O         3.0437   69.5427   80.0227  O     
16   O         0.7320   70.1055   80.7649  O     
17   N         3.6575   74.1116   82.7540  N     
18   C         3.7828   72.2361   81.0974  C     
19   C         2.2832   72.0390   83.0743  C     
20   C         2.6608   66.9227   84.6293  C     
21   O        -1.7095   64.6044   81.1768  O     
22   C        -0.2180   62.3626   86.5695  C     
23   C         3.4759   68.9502   83.4866  C     
24   C         3.5681   68.0104   84.5234  C     
25   C         2.3614   73.5725   83.2690  C     
26   C         3.8385   73.7694   81.3116  C     
27   C        -2.9148   62.0615   82.4246  C     
28   O         2.7157   66.0530   85.7075  O     
29   C         3.8353   75.5637   83.0321  C     
30   C         0.5426   63.4225   87.4062  C     
31   C        -1.3205   61.9383   87.5674  C     
32   C         4.0079   65.6255   86.2071  C     
33   C        -3.5819   60.7105   82.7825  C     
34   C         3.8870   64.7947   87.4991  C     
35   C        -0.5482   64.1959   88.1763  C     
36   C        -1.7681   63.2485   88.2506  C     
37   H         0.7715   67.7625   81.9506  H     
38   H         4.4115   73.6271   83.2548  H     
39   H         4.7004   71.7897   81.4837  H     
40   H         3.7550   72.0598   80.0193  H     
41   H         1.2561   71.7181   83.3066  H     
42   H         2.9586   71.5562   83.7945  H     
43   H        -1.5550   65.4739   80.7508  H     
44   H         0.4230   61.5070   86.3817  H     
45   H         4.1502   69.7230   83.4341  H     
46   H         4.3089   68.1473   85.2061  H     
47   H         2.2727   73.7777   84.3368  H     
48   H         1.5207   74.0466   82.7612  H     
49   H         3.0641   74.2484   80.7038  H     
50   H         4.8130   74.1314   80.9601  H     
51   H        -3.7218   62.7987   82.2914  H     
52   H        -2.4023   61.9401   81.4599  H     
53   H         3.1503   76.1750   82.4423  H     
54   H         4.8590   75.8657   82.7989  H     
55   H         3.6664   75.7760   84.0898  H     
56   H         1.2004   62.9251   88.1278  H     
57   H         1.1448   64.0933   86.8038  H     
58   H        -2.1727   61.4353   87.0942  H     
59   H        -0.9028   61.2601   88.3216  H     
60   H         4.5177   65.0287   85.4418  H     
61   H         4.6348   66.4807   86.4584  H     
62   H        -2.8331   59.9164   82.8825  H     
63   H        -4.2881   60.4244   81.9925  H     
64   H        -4.1335   60.8022   83.7223  H     
65   H         3.3830   65.3735   88.2763  H     
66   H         4.8781   64.5207   87.8569  H     
67   H         3.3338   63.8778   87.3243  H     
68   H        -0.1945   64.4689   89.1804  H     
69   H        -0.8117   65.1166   87.6365  H     
70   H        -2.6127   63.6797   87.7012  H     
71   H        -2.0679   63.0728   89.2855  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1    6 1
     4    2    8 1
     5    2   10 2
     6    3   12 1
     7    3   13 1
     8    3   15 2
     9    3   16 2
    10    4    5 2
    11    5    9 1
    12    5   11 1
    13    6    7 2
    14    6   22 1
    15    7   10 1
    16    8    9 2
    17    8   21 1
    18   10   27 1
    19   11   14 2
    20   11   20 1
    21   12   18 1
    22   12   19 1
    23   13   14 1
    24   13   23 2
    25   17   25 1
    26   17   26 1
    27   17   29 1
    28   18   26 1
    29   19   25 1
    30   20   24 2
    31   20   28 1
    32   22   30 1
    33   22   31 1
    34   23   24 1
    35   27   33 1
    36   28   32 1
    37   30   35 1
    38   31   36 1
    39   32   34 1
    40   35   36 1
    41   14   37 1
    42   17   38 1
    43   18   39 1
    44   18   40 1
    45   19   41 1
    46   19   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   24   46 1
    51   25   47 1
    52   25   48 1
    53   26   49 1
    54   26   50 1
    55   27   51 1
    56   27   52 1
    57   29   53 1
    58   29   54 1
    59   29   55 1
    60   30   56 1
    61   30   57 1
    62   31   58 1
    63   31   59 1
    64   32   60 1
    65   32   61 1
    66   33   62 1
    67   33   63 1
    68   33   64 1
    69   34   65 1
    70   34   66 1
    71   34   67 1
    72   35   68 1
    73   35   69 1
    74   36   70 1
    75   36   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4803
  Crash		| -2.7316
  Polar		| 1.4114
  FragIndex	| 1
  FragRMSD	| 0.952