@<TRIPOS>MOLECULE
BindingDB_50261650
 76 81 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.9009   65.1820   86.2401  N     
2    C         0.9840   65.2957   84.8777  C     
3    N         0.0918   64.6267   84.0861  N     
4    C        -0.0436   64.4496   86.8371  C     
5    C        -0.9861   63.7800   86.0579  C     
6    C        -0.8742   63.8758   84.6743  C     
7    C        -1.8960   63.1123   84.1421  C     
8    N        -2.5896   62.6077   85.1830  N     
9    N        -2.0621   63.0039   86.3087  N     
10   C        -2.0977   62.8122   82.7102  C     
11   C        -2.1129   64.0694   81.7864  C     
12   C        -2.5451   62.6240   87.5960  C     
13   O        -0.0597   64.3834   88.0573  O     
14   C         1.9191   66.1730   84.2749  C     
15   C         3.2911   66.1909   84.6450  C     
16   C         4.1788   67.0800   83.9898  C     
17   C         3.6987   67.9759   83.0127  C     
18   C         2.3372   67.9649   82.6392  C     
19   C         1.4637   67.0552   83.2665  C     
20   O         3.7654   65.2652   85.5482  O     
21   C         4.6754   65.7572   86.5567  C     
22   C         5.0521   64.6001   87.5078  C     
23   S         1.7466   69.0629   81.4176  S     
24   N         1.9798   70.6872   81.8278  N     
25   O         2.6123   68.7161   80.1269  O     
26   O         0.2230   68.8041   81.0339  O     
27   C         1.7758   71.6860   80.8063  C     
28   C         2.5320   72.9989   81.1440  C     
29   N         2.3313   73.3529   82.5001  N     
30   C         2.6049   72.3773   83.4905  C     
31   C         1.8035   71.0881   83.1994  C     
32   C        -1.3140   63.8610   80.4768  C     
33   C         1.9850   74.5659   82.8622  C     
34   C         0.6797   74.9266   82.7871  C     
35   C         0.2378   76.1285   83.2593  C     
36   C         1.0888   77.0107   83.8205  C     
37   C         2.9243   75.4600   83.4328  C     
38   C         2.4517   76.7140   83.9274  C     
39   C         3.3566   77.6258   84.5196  C     
40   C         4.7198   77.3015   84.6270  C     
41   C         5.1921   76.0690   84.1463  C     
42   C         4.3048   75.1601   83.5476  C     
43   H         1.5284   65.6763   86.7943  H     
44   H        -1.2867   62.1348   82.4215  H     
45   H        -3.0318   62.2599   82.5859  H     
46   H        -3.1494   64.3214   81.5353  H     
47   H        -1.6784   64.9334   82.3021  H     
48   H        -1.7718   62.0500   88.1110  H     
49   H        -3.4476   62.0130   87.5212  H     
50   H        -2.7752   63.5172   88.1820  H     
51   H         5.1797   67.0677   84.2223  H     
52   H         4.3543   68.6320   82.5744  H     
53   H         0.4727   67.0600   83.0056  H     
54   H         5.5890   66.1344   86.0829  H     
55   H         4.2234   66.5626   87.1515  H     
56   H         4.1603   64.2330   88.0339  H     
57   H         5.7812   64.9513   88.2473  H     
58   H         5.4985   63.7745   86.9390  H     
59   H         2.1266   71.3386   79.8315  H     
60   H         0.7052   71.8947   80.7272  H     
61   H         3.6021   72.8360   80.9760  H     
62   H         2.2119   73.7826   80.4515  H     
63   H         3.6713   72.1353   83.4733  H     
64   H         2.3620   72.7079   84.5075  H     
65   H         0.7380   71.2664   83.3785  H     
66   H         2.1428   70.3187   83.8952  H     
67   H        -0.2666   63.6451   80.7070  H     
68   H        -1.3451   64.7730   79.8716  H     
69   H        -1.7333   63.0347   79.8980  H     
70   H         0.0075   74.2929   82.4113  H     
71   H        -0.7275   76.3532   83.2018  H     
72   H         0.7353   77.8776   84.1603  H     
73   H         3.0327   78.5242   84.8804  H     
74   H         5.3736   77.9615   85.0561  H     
75   H         6.1831   75.8298   84.2300  H     
76   H         4.6808   74.2734   83.2009  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   32 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   24   31 1
    32   27   28 1
    33   28   29 1
    34   29   30 1
    35   29   33 1
    36   30   31 1
    37   33   34 2
    38   33   37 1
    39   34   35 1
    40   35   36 2
    41   36   38 1
    42   37   38 1
    43   37   42 2
    44   38   39 2
    45   39   40 1
    46   40   41 2
    47   41   42 1
    48    1   43 1
    49   10   44 1
    50   10   45 1
    51   11   46 1
    52   11   47 1
    53   12   48 1
    54   12   49 1
    55   12   50 1
    56   16   51 1
    57   17   52 1
    58   19   53 1
    59   21   54 1
    60   21   55 1
    61   22   56 1
    62   22   57 1
    63   22   58 1
    64   27   59 1
    65   27   60 1
    66   28   61 1
    67   28   62 1
    68   30   63 1
    69   30   64 1
    70   31   65 1
    71   31   66 1
    72   32   67 1
    73   32   68 1
    74   32   69 1
    75   34   70 1
    76   35   71 1
    77   36   72 1
    78   39   73 1
    79   40   74 1
    80   41   75 1
    81   42   76 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7438
  Crash		| -2.3640
  Polar		| 2.2690
  FragIndex	| 1
  FragRMSD	| 0.701