* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    327     592
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.14848   -30.86277
    3     1 S   H    _H1_     3     1.02148    66.21817    73.23369
    4     1 S   H    _H2_     4     1.02095    46.45944  -132.41843
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.81847    98.25910  -178.13208
   34    33 S   HC   _H3_    37     1.09777   102.16723   -55.95524
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C15    38     1.53903   114.49775    59.95399
   39    38 S   HC   _H45    39     1.09636   112.75147    27.38417
   40    38 S   HC   _H46    40     1.09629   109.69248   -91.57805
   41    38 S   CT   _C17    41     1.55117   106.24899   147.18334
   42    41 S   HC   _H49    42     1.09255   107.84970  -103.42741
   43    41 S   CM   _C7_    43     1.49697   112.85225   141.16191
   44    41 S   CT   _C23    53     1.55713   104.76487    13.03574
   45    43 S   CM   _C4_    44     1.43959   118.53900   147.14297
   46    45 S   HC   _H30    45     1.08521   118.87850    -0.00000
   47    44 S   CT   _C13    54     1.53858   115.23824  -158.11429
   48    47 S   HC   _H41    55     1.09723   110.11496   -52.75936
   49    47 S   HC   _H42    56     1.09916   109.07784  -168.49869
   50    44 S   CT   _C26    93     1.56146   110.16294    82.67770
   51    50 S   HC   _H55    94     1.07813   108.12429   -55.00559
   52    50 S   HC   _H56    95     1.07813   108.09089  -174.98941
   53    50 S   HC   _H57    96     1.07781   108.08650    65.00143
   54    45 S   CM   _C5_    46     1.33705   120.88854  -180.00000
   55    54 S   HC   _H31    47     1.08438   121.32649  -179.98022
   56    47 S   CT   _C11    57     1.51984   115.40542    70.83326
   57    56 S   HC   _H37    58     1.09673   107.36639   173.64442
   58    56 S   HC   _H38    59     1.09349   108.73548   -71.16007
   59    54 S   CO4  _C8_    48     1.47809   120.55411    -0.08393
   60    59 S   O    _O25    49     1.22644   120.62196  -179.92087
   61    56 S   CT   _C19    60     1.54067   112.75095    53.04641
   62    61 S   HC   _H51    61     1.10058   105.76064    57.12526
   63    59 S   OS   _O26    50     1.36964   117.29279     0.12033
   64    61 S   CT   _C20    62     1.55838   110.86303   -56.34277
   65    64 S   HC   _H52    63     1.10139   106.31991   165.88626
   66    43 S   CM   _C6_    51     1.33605   123.79814   -32.82350
   67    66 S   HC   _H32    52     1.08086   125.74666    -0.02798
   68    64 S   CT   _C10    64     1.53285   107.41847   -80.62535
   69    68 S   HC   _H35    65     1.08984   113.45844   171.72749
   70    68 S   HC   _H36    66     1.09315   111.07095    53.02327
   71    33 S   CT   _C25    90     1.54693   118.05605  -175.50255
   72    68 S   CT   _C9_    67     1.53159   110.96792   -67.04584
   73    72 S   HC   _H33    68     1.09516   107.92826   149.38892
   74    72 S   HC   _H34    69     1.09788   108.82245   -96.65622
   75    71 S   OH   _O28    91     1.43795   108.30011    78.82754
   76    75 S   HO   _H62    92     0.96606   105.71046   -66.68728
   77    72 S   CT   _C18    70     1.54531   114.51078    24.04979
   78    77 S   HC   _H50    71     1.09931   106.92387   -82.11881
   79    77 S   CT   _C16    72     1.54049   109.92248   163.18825
   80    79 S   HC   _H47    73     1.09726   110.12185    49.24353
   81    79 S   HC   _H48    74     1.09739   110.00263   163.88414
   82    79 S   CT   _C21    75     1.52757   113.25988   -73.45124
   83    82 S   HC   _H53    76     1.09504   110.47249    70.73789
   84    82 S   CT   _C12    77     1.52263   112.03872   -51.23208
   85    84 S   HC   _H39    78     1.09645   110.12619   -72.78037
   86    84 S   HC   _H40    79     1.09762   109.26424   172.77216
   87    82 S   OH   _O27    88     1.42538   109.50064  -171.64647
   88    87 S   HO   _H61    89     0.96926   106.55575   -57.45111
   89    84 S   CT   _C14    80     1.53099   112.57482    51.05159
   90    89 S   HC   _H43    81     1.09670   107.66751    68.59811
   91    89 S   HC   _H44    82     1.09625   107.37153  -176.73361
   92    61 S   CT   _C24    83     1.59758   113.51994   174.53772
   93    92 S   CT   _C27    84     1.55384   105.91983  -104.16588
   94    93 S   HC   _H58    85     1.07945   108.49294   -57.38824
   95    93 S   HC   _H59    86     1.07969   108.46517  -177.42793
   96    93 S   HC   _H60    87     1.08085   108.42878    62.57957
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  13   6   5  20   7  12  19   8   4  15   7
   6   7   3   2   1   5   3  12   5   4   4   2  21   8   2  14
   7   1   1  11   6   5   4  11   5   4   1   1  16   7  12   6
   5  10   6   9   6   5   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    71    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    64    71    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    61    64    65    68    71    75    76    50  
   38    39    40    41    44    64    71    75  
   36    37  
   37  
    0  
   39    40    41    42    43    45    66    44    47    64    71    75    50  
   40    41    42    43    44    71  
   41    42    43    44    71  
   42    43    45    46    54    63    66    67    44    47    48    49    56    64    71    75    50    51    52    53  
   43    45    66    44    47    71    50  
   45    46    54    55    59    63    66    67    44    47    71    50  
   47    48    49    56    57    58    61    64    65    68    71    75    76    50    51    52    53    45    66  
   46    54    55    59    60    63    66    67  
   54    55    59    66  
   48    49    56    57    58    61    62    64    92    71    75    50    51    52    53  
   49    56    57    58    61    71    50  
   56    57    58    61    71    50  
   51    52    53    56    64    71    75  
   52    53    71  
   53    71  
   71  
   55    59    60    63    66  
   59    60    63  
   57    58    61    62    64    65    68    77    89    92    93    71  
   58    61    62    64    92  
   61    62    64    92  
   60    63    66    67  
   63    66  
   62    64    65    68    69    70    72    77    78    79    84    89    90    91    92    93    94    95    96    71    75  
   64    65    68    77    89    92    93    71  
   66    67  
   65    68    69    70    72    73    74    77    89    92    93    71    75    76  
   68    69    70    72    92    71    75  
   67  
    0  
   69    70    72    73    74    77    78    79    92    71    75  
   70    72    73    74    77    71  
   72    73    74    77    71  
   75    76    72    92  
   73    74    77    78    79    80    81    82    89    92    93  
   74    77    78    79    92  
   77    78    79    92  
   76  
    0  
   78    79    80    81    82    83    84    89    90    91    92    93    94    95    96    87  
   79    80    81    82    89    92    93  
   80    81    82    83    84    85    86    89    92    93    87    88  
   81    82    83    84    92    87  
   82    83    84    92    87  
   83    84    85    86    89    90    91    92    87    88  
   84    85    86    89    87    88  
   85    86    89    90    91    92    93    87    88  
   86    89    90    91    92    87  
   89    90    91    92    87  
   88    89  
    0  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93    94    95    96  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    71   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   268.000  1.529
   43    45   380.000  1.444
   43    66   549.000  1.340
   45    46   340.000  1.080
   45    54   549.000  1.340
   54    55   340.000  1.080
   54    59   320.000  1.462
   59    60   570.000  1.229
   59    63   214.000  1.327
   63    66   440.000  1.360
   66    67   340.000  1.080
   44    47   268.000  1.529
   44    71   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    92   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    92   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   87    88   553.000  0.945
   71    75   320.000  1.410
   75    76   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    71    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    71    44    58.35000  112.70000
   33    71    64    58.35000  112.70000
   33    71    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.02700
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    70.00000  124.00000
   41    43    66    70.00000  124.00000
   41    44    47    58.35000  112.70000
   41    44    71    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    54    70.00000  123.01800
   43    66    63    80.00000  120.01400
   43    66    67    35.00000  120.00000
   45    54    55    35.00000  120.00000
   45    54    59    65.00000  118.96000
   54    45    46    35.00000  120.00000
   54    59    60    80.00000  123.72100
   54    59    63    90.00000  111.29400
   59    54    55    40.00000  117.72500
   59    63    66    90.00000  114.22900
   63    59    60    83.00000  123.40000
   63    66    67    55.00000  109.52600
   66    43    45    70.00000  123.01800
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.02700
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    71    64    58.35000  112.70000
   44    71    75    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   56    61    92    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    68    58.35000  112.70000
   61    64    71    58.35000  112.70000
   61    92    77    58.35000  112.70000
   61    92    89    58.35000  112.70000
   61    92    93    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    71    75    50.00000  109.50000
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    92    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    58.35000  112.70000
   77    92    89    58.35000  112.70000
   77    92    93    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    58.35000  112.70000
   79    82    87    50.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    89    58.35000  112.70000
   82    87    88    55.00000  108.50000
   84    82    83    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    92    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    92    93    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    61    62    37.50000  110.70000
   92    61    64    58.35000  112.70000
   92    77    78    37.50000  110.70000
   92    77    79    58.35000  112.70000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    50.00000  109.50000
   71    33    34    37.50000  110.70000
   71    33    38    58.35000  112.70000
   71    44    47    58.35000  112.70000
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   71    75    76    55.00000  108.50000
   50    44    47    58.35000  112.70000
   50    44    71    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    71   0.01700  1.0 1.0
   24    29    33    71  -0.23550 -1.0 2.0
   24    29    33    71   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    71    44   0.44750  1.0 1.0
   29    33    71    44  -0.17800 -1.0 2.0
   29    33    71    44   0.20200  1.0 3.0
   29    33    71    64   0.44750  1.0 1.0
   29    33    71    64  -0.17800 -1.0 2.0
   29    33    71    64   0.20200  1.0 3.0
   29    33    71    75   0.56750  1.0 1.0
   29    33    71    75  -0.07550 -1.0 2.0
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   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    71    33   0.56750  1.0 1.0
   50    44    71    33  -0.07550 -1.0 2.0
   50    44    71    33   0.20000  1.0 3.0
   50    44    71    64   0.56750  1.0 1.0
   50    44    71    64  -0.07550 -1.0 2.0
   50    44    71    64   0.20000  1.0 3.0
   50    44    71    75   0.86500  1.0 1.0
   50    44    71    75  -0.17500 -1.0 2.0
   50    44    71    75   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    45    43    66   1.10000 -1.0 2.0
   43    46    45    54   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   54    63    59    60  10.50000 -1.0 2.0
   63    67    66    43   1.10000 -1.0 2.0
END
