@<TRIPOS>MOLECULE
BindingDB_50169639
 67 70 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -0.5595   64.5203   84.8273  N     
2    C        -0.4598   64.0778   86.0964  C     
3    S         2.2126   69.5604   81.4244  S     
4    N         0.2154   65.4756   84.3443  N     
5    C         1.1922   66.0359   85.1113  C     
6    C         0.4957   64.6541   86.9090  C     
7    N         1.2761   65.5901   86.3947  N     
8    N        -1.9989   62.8952   85.0530  N     
9    C        -1.3633   63.0217   86.2335  C     
10   C        -1.4995   63.8011   84.1882  C     
11   C         2.1044   67.0039   84.5927  C     
12   N         2.3759   71.2470   81.4664  N     
13   C         2.6358   68.6882   82.8719  C     
14   C         1.7630   67.7254   83.4187  C     
15   O         3.1603   69.0656   80.2560  O     
16   O         0.7910   69.1275   80.8585  O     
17   N         2.3262   73.3339   83.4395  N     
18   C         1.2178   72.1003   81.5059  C     
19   C         3.6335   71.8591   81.8184  C     
20   C         3.3523   67.2789   85.2218  C     
21   O         0.6583   64.3729   88.1821  O     
22   C         3.8641   68.9310   83.5036  C     
23   C         4.2218   68.2314   84.6596  C     
24   C         3.5254   72.4389   83.2626  C     
25   C         1.0720   72.6844   82.9338  C     
26   C        -1.6384   62.1316   87.3790  C     
27   C        -1.9013   63.9372   82.7673  C     
28   O         3.7671   66.6517   86.3787  O     
29   C         2.5394   74.7236   82.9344  C     
30   C         4.2923   65.3114   86.1977  C     
31   C        -1.5020   62.6988   81.9329  C     
32   C        -0.5417   61.0993   87.7534  C     
33   C         5.4951   65.1414   87.1573  C     
34   C        -0.2769   61.9322   82.4802  C     
35   H         0.8652   67.5412   82.9578  H     
36   H         2.2102   73.4100   84.4599  H     
37   H         1.3369   72.9147   80.7832  H     
38   H         0.3013   71.5765   81.2393  H     
39   H         4.4644   71.1348   81.7803  H     
40   H         3.8810   72.6624   81.1208  H     
41   H         1.0360   63.4601   88.1891  H     
42   H         4.5204   69.6118   83.1313  H     
43   H         5.1194   68.4389   85.1080  H     
44   H         4.4402   72.9815   83.5066  H     
45   H         3.4390   71.6158   83.9748  H     
46   H         0.8230   71.8621   83.6113  H     
47   H         0.2391   73.3927   82.9562  H     
48   H        -1.8741   62.7533   88.2627  H     
49   H        -2.5485   61.5554   87.1601  H     
50   H        -2.9829   64.0788   82.7211  H     
51   H        -1.4300   64.8179   82.3346  H     
52   H         2.7137   74.7346   81.8560  H     
53   H         3.4075   75.1802   83.4286  H     
54   H         1.6718   75.3494   83.1467  H     
55   H         3.5155   64.5969   86.5031  H     
56   H         4.6030   65.0797   85.1850  H     
57   H        -2.3484   62.0043   81.8762  H     
58   H        -1.2792   63.0273   80.9203  H     
59   H         0.0958   60.8979   86.9015  H     
60   H        -0.9676   60.1330   88.0280  H     
61   H         0.0300   61.4750   88.6092  H     
62   H         6.2473   65.9035   86.9187  H     
63   H         5.9292   64.1437   87.0233  H     
64   H         5.1670   65.2571   88.1912  H     
65   H         0.5841   62.5907   82.5676  H     
66   H        -0.0259   61.1133   81.8100  H     
67   H        -0.4902   61.5083   83.4641  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   10 1
     4    2    6 1
     5    2    9 2
     6    3   12 1
     7    3   13 1
     8    3   15 2
     9    3   16 2
    10    4    5 2
    11    5    7 1
    12    5   11 1
    13    6    7 2
    14    6   21 1
    15    8    9 1
    16    8   10 2
    17    9   26 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   22 2
    25   17   24 1
    26   17   25 1
    27   17   29 1
    28   18   25 1
    29   19   24 1
    30   20   23 2
    31   20   28 1
    32   22   23 1
    33   26   32 1
    34   27   31 1
    35   28   30 1
    36   30   33 1
    37   31   34 1
    38   14   35 1
    39   17   36 1
    40   18   37 1
    41   18   38 1
    42   19   39 1
    43   19   40 1
    44   21   41 1
    45   22   42 1
    46   23   43 1
    47   24   44 1
    48   24   45 1
    49   25   46 1
    50   25   47 1
    51   26   48 1
    52   26   49 1
    53   27   50 1
    54   27   51 1
    55   29   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   30   56 1
    60   31   57 1
    61   31   58 1
    62   32   59 1
    63   32   60 1
    64   32   61 1
    65   33   62 1
    66   33   63 1
    67   33   64 1
    68   34   65 1
    69   34   66 1
    70   34   67 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5174
  Crash		| -2.8021
  Polar		| 2.0245
  FragIndex	| 1
  FragRMSD	| 0.541