@<TRIPOS>MOLECULE
BindingDB_50287543
 61 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.1514   67.2007   83.9316  C     
2    C         3.6411   68.1166   82.9815  C     
3    C         2.2679   68.1220   82.6662  C     
4    C         1.4117   67.1961   83.2935  C     
5    C         1.9111   66.2823   84.2495  C     
6    C         3.2889   66.2973   84.5881  C     
7    O         3.7262   65.3660   85.5025  O     
8    C         4.6872   65.7928   86.4908  C     
9    C         5.0595   64.5863   87.3928  C     
10   C         1.0034   65.3650   84.8115  C     
11   N         0.3666   64.4702   84.0054  N     
12   C        -0.1328   64.5256   86.7107  C     
13   N         0.7494   65.3577   86.1524  N     
14   C        -0.7996   63.5982   85.9121  C     
15   C        -0.5135   63.5860   84.5527  C     
16   C        -1.2264   62.5274   84.0057  C     
17   N        -1.9198   61.9698   85.0172  N     
18   N        -1.6919   62.6082   86.1326  N     
19   C        -2.2874   62.2717   87.3851  C     
20   C        -1.1860   62.0579   82.6068  C     
21   C        -2.5433   62.1611   81.8684  C     
22   C        -3.0674   63.6092   81.7385  C     
23   O        -0.3012   64.5647   87.9196  O     
24   S         1.6505   69.2902   81.5281  S     
25   N         1.3848   70.8332   82.1746  N     
26   O         2.6311   69.3851   80.2763  O     
27   O         0.2675   68.7307   80.9674  O     
28   C         0.7697   71.8319   81.3394  C     
29   C         1.8509   72.8116   80.8178  C     
30   N         2.6872   73.3245   81.9304  N     
31   C         3.2696   72.2615   82.7832  C     
32   C         2.1506   71.3225   83.2972  C     
33   H         5.1520   67.1822   84.1601  H     
34   H         4.2826   68.7784   82.5382  H     
35   H         0.4153   67.2138   83.0644  H     
36   H         5.5966   66.1648   86.0040  H     
37   H         4.2885   66.5802   87.1371  H     
38   H         4.1847   64.2457   87.9552  H     
39   H         5.8456   64.8825   88.0980  H     
40   H         5.4336   63.7598   86.7841  H     
41   H         1.2059   65.9942   86.7264  H     
42   H        -1.5055   62.0407   88.1113  H     
43   H        -2.9447   61.4029   87.2958  H     
44   H        -2.8774   63.1149   87.7521  H     
45   H        -0.4385   62.6221   82.0441  H     
46   H        -0.8675   61.0131   82.6111  H     
47   H        -2.4149   61.7505   80.8646  H     
48   H        -3.2909   61.5523   82.3841  H     
49   H        -3.3239   64.0127   82.7205  H     
50   H        -3.9659   63.6193   81.1180  H     
51   H        -2.3148   64.2514   81.2762  H     
52   H         0.2351   71.3954   80.4912  H     
53   H         0.0344   72.3831   81.9312  H     
54   H         2.4889   72.3063   80.0913  H     
55   H         1.3681   73.6560   80.3217  H     
56   H         3.4446   73.8902   81.5414  H     
57   H         2.1064   73.9272   82.5198  H     
58   H         4.0057   71.6904   82.2123  H     
59   H         3.7825   72.7281   83.6271  H     
60   H         1.4918   71.8938   83.9571  H     
61   H         2.5905   70.5261   83.9014  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   24 1
     6    4    5 1
     7    5    6 2
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12   10   11 2
    13   10   13 1
    14   11   15 1
    15   12   13 1
    16   12   14 1
    17   12   23 2
    18   14   15 2
    19   14   18 1
    20   15   16 1
    21   16   17 2
    22   16   20 1
    23   17   18 1
    24   18   19 1
    25   20   21 1
    26   21   22 1
    27   24   25 1
    28   24   26 2
    29   24   27 2
    30   25   28 1
    31   25   32 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35   31   32 1
    36    1   33 1
    37    2   34 1
    38    4   35 1
    39    8   36 1
    40    8   37 1
    41    9   38 1
    42    9   39 1
    43    9   40 1
    44   13   41 1
    45   19   42 1
    46   19   43 1
    47   19   44 1
    48   20   45 1
    49   20   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   22   51 1
    55   28   52 1
    56   28   53 1
    57   29   54 1
    58   29   55 1
    59   30   56 1
    60   30   57 1
    61   31   58 1
    62   31   59 1
    63   32   60 1
    64   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2903
  Crash		| -1.2869
  Polar		| 2.9648
  FragIndex	| 1
  FragRMSD	| 0.973