* LIGAND DATABASE FILE (OPLS2005)
*
001     112   118    232    391     707
    1     0 S   NP   _N1_     1    29.54746    94.43786   -16.51370
    2     1 S   H    _HN1     2     1.02749    72.71230   -43.81526
    3     1 S   H    _H1_     3     1.03193   117.92946    57.99025
    4     1 S   H    _H2_     4     1.02826    35.18730   136.51869
    5     1 S   CT   _CA1     5     1.50180   126.26552  -149.43945
    6     5 S   HC   _HA1     6     1.09588   105.17657    20.38595
    7     5 S   CO3  _C1_     7     1.53826   112.41330   -99.41316
    8     7 S   O2Z  _O11     8     1.26327   115.17381   -42.44223
    9     7 S   O2Z  _O12     9     1.26266   114.89157   136.88131
   10     5 S   CT   _CB1    10     1.53123   107.45149   137.80959
   11    10 S   HC   HB11    11     1.09798   109.10036   -53.84959
   12    10 S   HC   HB12    12     1.09625   110.08000    62.20113
   13    10 S   CT   _CG1    13     1.53205   113.26194  -175.57597
   14    13 S   HC   HG11    14     1.09551   109.92976   -62.19363
   15    13 S   HC   HG12    15     1.09590   110.43454    56.79368
   16    13 S   C    _CD1    16     1.52012   111.77429   176.46919
   17    16 S   O    _OE1    17     1.22804   122.64320   -30.87067
   18    16 S   N    _N2_    18     1.38642   112.42357   150.20928
   19    18 S   H    _HN2    19     1.01581   119.05044     1.63757
   20    18 S   CT1  _CA2    20     1.46677   123.61470  -175.95668
   21    20 S   HC   _HA2    21     1.09743   109.21084   -20.96409
   22    20 S   C    _C2_    22     1.53356   108.28489  -136.74880
   23    22 S   O    _O2_    23     1.22994   122.31469  -145.91101
   24    20 S   CT   _CB2    32     1.54079   111.11969   101.26659
   25    24 S   HC   HB21    33     1.09131   107.95504    53.62287
   26    24 S   HC   HB22    34     1.09445   110.94560   172.31845
   27    22 S   N    _N3_    24     1.38531   113.25925    41.52356
   28    27 S   H    _HN3    25     1.01541   118.90508    -0.46646
   29    24 S   S    _SG2    35     1.82606   110.12378   -68.46468
   30    27 S   CT   _CA3    26     1.45444   123.38088   175.08889
   31    30 S   HC   HA31    27     1.09529   109.13010    26.00378
   32    30 S   HC   HA32    28     1.09492   107.13255   143.00413
   33    29 S   CT   _C30    36     1.86629   105.65394   158.11392
   34    30 S   CO3  _C3_    29     1.52942   113.26288   -97.39315
   35    34 S   O2Z  _O31    30     1.26392   115.49273   -42.03484
   36    34 S   O2Z  _O32    31     1.26368   114.92546   138.93219
   37    33 S   CT   _C8_    37     1.52798   115.29281   -30.47106
   38    37 S   HC   _H43    38     1.09128   113.97779   -31.74263
   39    37 S   HC   _H44    39     1.09583   111.84091  -156.03267
   40    33 S   CT   _C21    46     1.57317   110.50509  -158.57012
   41    40 S   HC   _H66    47     1.10135   103.95578  -175.82848
   42    37 S   CO4  _C5_    40     1.50090   104.11580    88.84674
   43    42 S   O    _O33    41     1.22108   125.31843  -166.37467
   44    40 S   CT   _C12    48     1.55363   113.69106   -62.28151
   45    44 S   HC   _H51    49     1.09423   112.46159    21.22692
   46    44 S   HC   _H52    50     1.09597   111.02395   -97.84611
   47    42 S   OS   _O35    42     1.36269   110.08471    14.42546
   48    44 S   CT   _C14    51     1.52793   107.17370   141.32178
   49    48 S   HC   _H55    52     1.09476   109.69624    91.76382
   50    48 S   HC   _H56    53     1.09535   109.66856  -149.77169
   51    33 S   CT   _C17    43     1.53479   107.44093    80.73462
   52    51 S   HC   _H61    44     1.09524   114.24012    30.10894
   53    51 S   HC   _H62    45     1.09667   112.38015   152.82100
   54    48 S   CT   _C29    54     1.53303   104.69428   -28.66837
   55    54 S   CT   _C20    55     1.55242   115.06574   165.61786
   56    55 S   HC   _H65    56     1.09918   106.18954   168.84273
   57    54 S   OH   _O40   111     1.43415   107.83558   -77.34154
   58    57 S   HO   _H78   112     0.97179   109.27901    63.45168
   59    55 S   CT   _C10    57     1.54490   111.39485    54.05601
   60    59 S   HC   _H47    58     1.09622   110.46966    54.95732
   61    59 S   HC   _H48    59     1.09692   109.81385   -62.43563
   62    55 S   CT   _C19    76     1.55053   114.50819   -72.35191
   63    62 S   HC   _H64    77     1.10021   107.33638    67.59772
   64    59 S   CT   _C9_    60     1.52534   112.95018   176.68383
   65    64 S   HC   _H45    61     1.09728   108.61708   173.52098
   66    64 S   HC   _H46    62     1.09426   109.72828   -71.17523
   67    62 S   CT   _C11    78     1.53777   111.21565   -48.20937
   68    67 S   HC   _H49    79     1.09387   111.24157   -69.75584
   69    67 S   HC   _H50    80     1.09566   109.96017   172.70879
   70    64 S   CT   _C18    63     1.53189   111.30766    52.82778
   71    70 S   HC   _H63    64     1.10193   105.61746    62.13091
   72    67 S   CT   _C13    81     1.52578   111.95993    53.13755
   73    72 S   HC   _H53    82     1.09778   107.88047    65.56051
   74    72 S   HC   _H54    83     1.09809   108.86018   179.57572
   75    70 S   CT   _C15    65     1.53619   111.78459   176.64526
   76    75 S   HC   _H57    66     1.09750   110.28423   -53.59724
   77    75 S   HC   _H58    67     1.09647   111.55052    63.13207
   78    40 S   CT   _C28    84     1.58906   121.76693    64.75648
   79    75 S   CT   _C22    68     1.52633   110.25513  -173.98077
   80    79 S   HC   _H67    69     1.09830   108.70630    64.64087
   81    78 S   CT   _C32    85     1.53727   116.10030    11.69034
   82    81 S   HC   _H74    86     1.08948   113.39129   -55.98407
   83    81 S   HC   _H75    87     1.09323   111.36931  -174.98913
   84    81 S   HC   _H76    88     1.09418   111.37776    66.37088
   85    79 S   CT   _C23    70     1.52538   110.92174   -56.76172
   86    85 S   HC   _H68    71     1.09767   110.29826   -64.05139
   87    79 S   OS   _O36   104     1.43063   109.58104  -177.34812
   88    85 S   CT   _C16    72     1.53342   111.34459    57.21585
   89    88 S   HC   _H59    73     1.09845   109.26941    65.96613
   90    88 S   HC   _H60    74     1.09719   107.84552  -179.80021
   91    85 S   OS   _O37    92     1.43194   109.12261   177.84878
   92    70 S   CT   _C27    75     1.55942   113.34527   -54.12760
   93    91 S   CO   _C26    93     1.43066   111.37523    59.40708
   94    92 S   CO4  _C6_    89     1.54151   113.10235   -65.23835
   95    94 S   O    _O34    90     1.22671   125.59425    15.44966
   96    94 S   HC   _H40    91     1.10442   115.29895  -166.12370
   97    93 S   CO4  _C4_    94     1.52427   105.89301  -174.42378
   98    97 S   O    _O30    95     1.23081   122.24391  -101.17838
   99    93 S   OH   _O39   109     1.42160   111.69387    67.01616
  100    99 S   HO   _H77   110     0.97313   107.22488    75.78999
  101    97 S   CT   _C7_    96     1.50772   116.20458    75.82331
  102   101 S   HC   _H41    97     1.09473   109.43412   171.23552
  103   101 S   HC   _H42    98     1.09565   107.57708   -70.66347
  104   101 S   CT   _C24    99     1.52221   108.25101    50.22042
  105   104 S   HC   _H69   100     1.09757   110.86476    61.72476
  106   104 S   OS   _O38   101     1.42925   109.46398   -58.44176
  107   104 S   CT   _C31   105     1.52204   110.93187  -177.14968
  108   107 S   HC   _H71   106     1.09571   111.05727    60.77082
  109   107 S   HC   _H72   107     1.09419   111.33398   -60.58061
  110   107 S   HC   _H73   108     1.09541   110.33538   178.77683
  111    93 S   CO   _C25   102     1.54322   111.17931   -55.53944
  112   111 S   HC   _H70   103     1.09694   110.19735   169.24327
  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  13   5   4   3
  19   2   1   1  12   6   5  24   9   5   2  12   6   5   3  12
   5   4   3   1   1  20  21  10   6   1  13   6   5  20   8  11
   5   4  11   6   5  15   7   8   3   2  12   6   5   4  13   6
   3   2   1   1  12   7   9   8   4   3  10   3  11   2   1   1
  12   6   5   1  10   5   4   8   6   6   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    51    52    53    40    41    44    78  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    51    52    53    40    41    44    45    46    48    54    72    78    81  
   35    36  
   36  
    0  
   38    39    42    43    47    51    52    53    40    41    44    78  
   39    42    43    47    51    40  
   42    43    47    51    40  
   41    44    45    46    48    49    50    54    55    67    72    73    74    78    81    82    83    84    57    42    47    51    52    53  
   44    45    46    48    54    72    78    81    51  
   43    47    51    52    53  
   47    51  
   45    46    48    49    50    54    55    72    78    81    57    51  
   46    48    49    50    54    78  
   48    49    50    54    78  
   51    52    53  
   49    50    54    55    56    59    62    72    78    81    57    58  
   50    54    55    78    57  
   54    55    78    57  
   52    53    78  
   53  
    0  
   55    56    59    60    61    64    92    62    63    67    72    73    74    78    81    82    83    84    57    58  
   56    59    60    61    64    65    66    70    88    92    62    63    67    68    69    72    78    81    94    57    58  
   59    60    61    64    92    62    63    67    78    57  
   58    59    62    72    78    81  
   78  
   60    61    64    65    66    70    71    75    92    62    63    67    78  
   61    64    65    66    70    62  
   64    65    66    70    62  
   63    67    68    69    72    73    74    78    94    95    96    64    70    71    75    85    88    89    90    92  
   67    68    69    72    94    70    88    92  
   65    66    70    71    75    76    77    79    88    92    94  
   66    70    71    75    92  
   70    71    75    92  
   68    69    72    73    74    78    81    94    70    88    92  
   69    72    73    74    78    92  
   72    73    74    78    92  
   71    75    76    77    79    80    85    88    89    90    92    94    95    96    87  
   75    76    77    79    88    92    94  
   73    74    78    81    82    83    84    92  
   74    78    81  
   78    81  
   76    77    79    80    85    86    88    92    94    91   111    87  
   77    79    80    85    92    87  
   79    80    85    92    87  
   81    82    83    84  
   80    85    86    88    89    90    92    91    93   106   111   112    87  
   85    86    88    91   111    87  
   82    83    84  
   83    84  
   84  
    0  
   86    88    89    90    92    94    91    93    97   111    87    99  
   88    89    90    92    91    93    87  
   99    88    91    93    97   104   106   111   112  
   89    90    92    94    95    96    91    93  
   90    92    94    91  
   92    94    91  
   93    97    98   101   106   111   112    99   100    92  
   94    95    96  
   97    98   101   102   103   104   106   111   112    99   100  
   95    96  
   96  
    0  
   98   101   102   103   104   105   106   111   112   107    99   100  
  101   102   103   104   111    99  
  100   101   106   111   112  
  111  
  102   103   104   105   106   111   107   108   109   110  
  103   104   105   106   107  
  104   105   106   107  
  105   106   111   112   107   108   109   110  
  106   111   107   108   109   110  
  111   112   107   108   109   110  
  108   109   110   111  
  109   110  
  110  
    0  
  112  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   94   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   96   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   97   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.100000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   214.000  1.327
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    78   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   268.000  1.529
   54    78   268.000  1.529
   54    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    75   268.000  1.529
   70    92   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    85   268.000  1.529
   79    87   320.000  1.410
   85    86   340.000  1.090
   85    88   268.000  1.529
   85    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    92   268.000  1.529
   92    62   268.000  1.529
   92    94   317.000  1.522
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   94    95   570.000  1.229
   94    96   340.000  1.090
   91    93   320.000  1.380
   93    97   235.000  1.518
   93   111   250.000  1.527
   93    99   380.000  1.407
   97    98   570.000  1.229
   97   101   317.000  1.522
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   320.000  1.410
  104   107   268.000  1.529
  106   111   320.000  1.380
  111   112   340.000  1.090
  111    87   320.000  1.380
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   99   100   553.000  0.945
   57    58   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    51    47    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    78    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    47    81.00000  111.40000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    51    83.00000  116.90000
   47    42    43    83.00000  123.40000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   51    33    37    58.35000  112.70000
   53    51    52    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    78    54    58.35000  112.70000
   40    78    72    58.35000  112.70000
   40    78    81    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    55    58.35000  112.70000
   48    54    78    58.35000  112.70000
   48    54    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    59    58.35000  112.70000
   54    55    62    58.35000  112.70000
   54    78    72    58.35000  112.70000
   54    78    81    58.35000  112.70000
   54    57    58    55.00000  108.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    58.35000  112.70000
   55    62    92    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    67    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    70    92    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    79    58.35000  112.70000
   70    92    88    58.35000  112.70000
   70    92    62    58.35000  112.70000
   70    92    94    63.00000  111.10000
   75    70    71    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    85    58.35000  112.70000
   75    79    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    88    58.35000  112.70000
   79    85    91    50.00000  109.50000
   79    87   111    60.00000  109.50000
   85    79    80    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    92    58.35000  112.70000
   85    91    93    60.00000  109.50000
   88    85    86    37.50000  110.70000
   88    92    62    58.35000  112.70000
   88    92    94    63.00000  111.10000
   90    88    89    33.00000  107.80000
   92    70    71    37.50000  110.70000
   92    70    75    58.35000  112.70000
   92    88    89    37.50000  110.70000
   92    88    90    37.50000  110.70000
   92    62    63    37.50000  110.70000
   92    62    67    58.35000  112.70000
   92    94    95    80.00000  120.40000
   92    94    96    35.00000  115.00000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    72    58.35000  112.70000
   67    62    63    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    78    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    78    81    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    40    41    37.50000  110.70000
   78    40    44    58.35000  112.70000
   78    54    55    58.35000  112.70000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   94    92    62    63.00000  111.10000
   96    94    95    35.00000  123.00000
   91    85    86    35.00000  109.50000
   91    85    88    50.00000  109.50000
   91    93    97    90.00000  107.81500
   91    93   111    90.00000  108.56700
   91    93    99   110.00000  112.08000
   93    97    98    75.00000  120.68000
   93    97   101    70.00000  116.00000
   93   111   106    90.00000  108.56700
   93   111   112    45.00000  112.01100
   93   111    87    90.00000  108.56700
   93    99   100    70.00000  107.92000
   97   101   102    35.00000  109.50000
   97   101   103    35.00000  109.50000
   97   101   104    63.00000  111.10000
  101    97    98    80.00000  120.40000
  101   104   105    37.50000  110.70000
  101   104   106    50.00000  109.50000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   106   111    60.00000  109.50000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    37.50000  110.70000
  106   104   105    35.00000  109.50000
  106   111   112    35.00000  109.50000
  106   111    87    92.60000  111.55000
  111    93    97    65.00000  114.32000
   87    79    80    35.00000  109.50000
   87    79    85    50.00000  109.50000
   87   111   112    35.00000  109.50000
  107   104   105    37.50000  110.70000
  107   104   106    50.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   99    93    97    90.00000  109.61100
   99    93   111    90.00000  110.19100
   57    54    55    50.00000  109.50000
   57    54    78    50.00000  109.50000
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
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   76    75    79    80   0.15000  1.0 3.0
   76    75    79    85   0.15000  1.0 3.0
   76    75    79    87   0.23400  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    85   0.15000  1.0 3.0
   77    75    79    87   0.23400  1.0 3.0
   79    85    88    89   0.15000  1.0 3.0
   79    85    88    90   0.15000  1.0 3.0
   79    85    88    92   0.56750  1.0 1.0
   79    85    88    92  -0.07550 -1.0 2.0
   79    85    88    92   0.20000  1.0 3.0
   79    85    91    93   0.06250  1.0 1.0
   79    85    91    93  -0.01100 -1.0 2.0
   79    85    91    93   0.28050  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   80    79    85    91   0.23400  1.0 3.0
   80    79    87   111   0.37050  1.0 3.0
   85    79    87   111   0.06250  1.0 1.0
   85    79    87   111  -0.01100 -1.0 2.0
   85    79    87   111   0.28050  1.0 3.0
   85    88   -92    70   0.56750  1.0 1.0
   85    88   -92    70  -0.07550 -1.0 2.0
   85    88   -92    70   0.20000  1.0 3.0
   85    88    92    62   0.56750  1.0 1.0
   85    88    92    62  -0.07550 -1.0 2.0
   85    88    92    62   0.20000  1.0 3.0
   85    88    92    94  -0.95700  1.0 1.0
   85    88    92    94  -0.18200 -1.0 2.0
   85    88    92    94   0.29450  1.0 3.0
   85    91    93    97  -1.11000  1.0 1.0
   85    91    93    97   0.50250 -1.0 2.0
   85    91    93    97   0.47450  1.0 3.0
   85    91   -93   111   0.06250  1.0 1.0
   85    91   -93   111  -0.01100 -1.0 2.0
   85    91   -93   111   0.28050  1.0 3.0
   85    91    93    99  -0.81800  1.0 1.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    92   0.15000  1.0 3.0
   86    85    91    93   0.37050  1.0 3.0
   88    85    91    93   0.06250  1.0 1.0
   88    85    91    93  -0.01100 -1.0 2.0
   88    85    91    93   0.28050  1.0 3.0
   88    92    62    55   0.56750  1.0 1.0
   88    92    62    55  -0.07550 -1.0 2.0
   88    92    62    55   0.20000  1.0 3.0
   88    92    62    63   0.15000  1.0 3.0
   88    92    62    67   0.56750  1.0 1.0
   88    92    62    67  -0.07550 -1.0 2.0
   88    92    62    67   0.20000  1.0 3.0
   88    92    94    95   0.30150 -1.0 2.0
   88    92    94    96   0.74550  1.0 1.0
   88    92    94    96  -0.00500 -1.0 2.0
   89    88    92    70   0.15000  1.0 3.0
   89    88    92    62   0.15000  1.0 3.0
   89    88    92    94  -0.11250  1.0 3.0
   90    88    92    70   0.15000  1.0 3.0
   90    88    92    62   0.15000  1.0 3.0
   90    88    92    94  -0.11250  1.0 3.0
   92    70    75    76   0.15000  1.0 3.0
   92    70    75    77   0.15000  1.0 3.0
   92    70   -75    79   0.56750  1.0 1.0
   92    70   -75    79  -0.07550 -1.0 2.0
   92    70   -75    79   0.20000  1.0 3.0
   92    62    67    68   0.15000  1.0 3.0
   92    62    67    69   0.15000  1.0 3.0
   92    62    67    72   0.56750  1.0 1.0
   92    62    67    72  -0.07550 -1.0 2.0
   92    62    67    72   0.20000  1.0 3.0
   62    55    59    60   0.15000  1.0 3.0
   62    55    59    61   0.15000  1.0 3.0
   62    55   -59    64   0.56750  1.0 1.0
   62    55   -59    64  -0.07550 -1.0 2.0
   62    55   -59    64   0.20000  1.0 3.0
   62    92    94    95   0.30150 -1.0 2.0
   62    92    94    96   0.74550  1.0 1.0
   62    92    94    96  -0.00500 -1.0 2.0
   62    67    72    73   0.15000  1.0 3.0
   62    67    72    74   0.15000  1.0 3.0
   62    67    72    78   0.56750  1.0 1.0
   62    67    72    78  -0.07550 -1.0 2.0
   62    67    72    78   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   67    72    78    40   0.56750  1.0 1.0
   67    72    78    40  -0.07550 -1.0 2.0
   67    72    78    40   0.20000  1.0 3.0
   67    72   -78    54   0.56750  1.0 1.0
   67    72   -78    54  -0.07550 -1.0 2.0
   67    72   -78    54   0.20000  1.0 3.0
   67    72    78    81   0.56750  1.0 1.0
   67    72    78    81  -0.07550 -1.0 2.0
   67    72    78    81   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    78   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    78   0.15000  1.0 3.0
   72    78    81    82   0.15000  1.0 3.0
   72    78    81    83   0.15000  1.0 3.0
   72    78    81    84   0.15000  1.0 3.0
   73    72    78    40   0.15000  1.0 3.0
   73    72    78    54   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    40   0.15000  1.0 3.0
   74    72    78    54   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    40    44    45   0.15000  1.0 3.0
   78    40    44    46   0.15000  1.0 3.0
   78    40   -44    48   0.56750  1.0 1.0
   78    40   -44    48  -0.07550 -1.0 2.0
   78    40   -44    48   0.20000  1.0 3.0
   78    54    55    56   0.15000  1.0 3.0
   78    54    55    59   0.56750  1.0 1.0
   78    54    55    59  -0.07550 -1.0 2.0
   78    54    55    59   0.20000  1.0 3.0
   78    54   -55    62   0.56750  1.0 1.0
   78    54   -55    62  -0.07550 -1.0 2.0
   78    54   -55    62   0.20000  1.0 3.0
   78    54    57    58  -0.11600  1.0 1.0
   78    54    57    58  -0.09450 -1.0 2.0
   78    54    57    58   0.21250  1.0 3.0
   94    92    62    55  -0.95700  1.0 1.0
   94    92    62    55  -0.18200 -1.0 2.0
   94    92    62    55   0.29450  1.0 3.0
   94    92    62    63  -0.11250  1.0 3.0
   94    92    62    67  -0.95700  1.0 1.0
   94    92    62    67  -0.18200 -1.0 2.0
   94    92    62    67   0.29450  1.0 3.0
   91    85    88    89   0.23400  1.0 3.0
   91    85    88    90   0.23400  1.0 3.0
   91    85    88    92   0.62750  1.0 1.0
   91    85    88    92  -0.30950 -1.0 2.0
   91    85    88    92   0.27300  1.0 3.0
   91    93    97    98   0.30150 -1.0 2.0
   91    93    97   101   0.55300  1.0 1.0
   91    93    97   101   1.25850 -1.0 2.0
   91    93    97   101  -0.23600  1.0 3.0
   91    93   111   106   1.11900  1.0 1.0
   91    93   111   106  -1.16350 -1.0 2.0
   91    93   111   106  -0.34150  1.0 3.0
   91    93   111   112   0.23400  1.0 3.0
   91    93   111    87   1.11900  1.0 1.0
   91    93   111    87  -1.16350 -1.0 2.0
   91    93   111    87  -0.34150  1.0 3.0
   91    93    99   100  -0.50000  1.0 1.0
   91    93    99   100  -0.73950 -1.0 2.0
   91    93    99   100   0.17150  1.0 3.0
   93    97   101   102   0.00000  1.0 1.0
   93    97   101   103   0.00000  1.0 1.0
   93    97   101   104   0.60050  1.0 1.0
   93    97   101   104   0.05600 -1.0 2.0
   93    97   101   104   0.26150  1.0 3.0
   93   111   -87    79   0.06250  1.0 1.0
   93   111   -87    79  -0.01100 -1.0 2.0
   93   111   -87    79   0.28050  1.0 3.0
   97    93   111   106  -0.09450  1.0 1.0
   97    93   111   106  -1.12950 -1.0 2.0
   97    93   111   106   0.54000  1.0 3.0
   97    93   111   112  -0.11250  1.0 3.0
   97    93   111    87  -0.09450  1.0 1.0
   97    93   111    87  -1.12950 -1.0 2.0
   97    93   111    87   0.54000  1.0 3.0
   97    93    99   100   0.91850  1.0 1.0
   97    93    99   100   0.57950  1.0 3.0
   97   101   104   105  -0.11250  1.0 3.0
   97   101  -104   106  -0.09450  1.0 1.0
   97   101  -104   106  -1.12950 -1.0 2.0
   97   101  -104   106   0.54000  1.0 3.0
   97   101   104   107  -0.95700  1.0 1.0
   97   101   104   107  -0.18200 -1.0 2.0
   97   101   104   107   0.29450  1.0 3.0
   98    97   101   102   0.00000  1.0 1.0
   98    97   101   103   0.00000  1.0 1.0
   98    97   101   104   0.30150 -1.0 2.0
  101   104   106   111   0.06250  1.0 1.0
  101   104   106   111  -0.01100 -1.0 2.0
  101   104   106   111   0.28050  1.0 3.0
  101   104   107   108   0.15000  1.0 3.0
  101   104   107   109   0.15000  1.0 3.0
  101   104   107   110   0.15000  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.23400  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.23400  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
  104   106  -111    93   0.06250  1.0 1.0
  104   106  -111    93  -0.01100 -1.0 2.0
  104   106  -111    93   0.28050  1.0 3.0
  104   106   111   112   0.37050  1.0 3.0
  104   106   111    87  -0.53350  1.0 1.0
  104   106   111    87  -0.78350 -1.0 2.0
  104   106   111    87   0.33750  1.0 3.0
  105   104   106   111   0.37050  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   110   0.15000  1.0 3.0
  106   104   107   108   0.23400  1.0 3.0
  106   104   107   109   0.23400  1.0 3.0
  106   104   107   110   0.23400  1.0 3.0
  106   111    87    79  -0.53350  1.0 1.0
  106   111    87    79  -0.78350 -1.0 2.0
  106   111    87    79   0.33750  1.0 3.0
  111    93    97    98   0.30150 -1.0 2.0
  111    93   -97   101   0.60050  1.0 1.0
  111    93   -97   101   0.05600 -1.0 2.0
  111    93   -97   101   0.26150  1.0 3.0
  111    93    99   100  -0.11600  1.0 1.0
  111    93    99   100  -0.09450 -1.0 2.0
  111    93    99   100   0.21250  1.0 3.0
  112   111    87    79   0.37050  1.0 3.0
   87    79    85    86   0.23400  1.0 3.0
   87    79    85    88   0.62750  1.0 1.0
   87    79    85    88  -0.30950 -1.0 2.0
   87    79    85    88   0.27300  1.0 3.0
   87    79   -85    91   1.11900  1.0 1.0
   87    79   -85    91  -1.16350 -1.0 2.0
   87    79   -85    91  -0.34150  1.0 3.0
  107   104   106   111   0.06250  1.0 1.0
  107   104   106   111  -0.01100 -1.0 2.0
  107   104   106   111   0.28050  1.0 3.0
   99    93    97    98   0.30150 -1.0 2.0
   99    93    97   101   0.55300  1.0 1.0
   99    93    97   101   1.25850 -1.0 2.0
   99    93    97   101  -0.23600  1.0 3.0
   99    93   111   106   3.69350  1.0 1.0
   99    93   111   106  -1.82950 -1.0 2.0
   99    93   111   112   0.23400  1.0 3.0
   99    93   111    87   3.69350  1.0 1.0
   99    93   111    87  -1.82950 -1.0 2.0
   57    54    55    56   0.23400  1.0 3.0
   57    54    55    59   0.86500  1.0 1.0
   57    54    55    59  -0.17500 -1.0 2.0
   57    54    55    59   0.20800  1.0 3.0
   57    54    55    62   0.86500  1.0 1.0
   57    54    55    62  -0.17500 -1.0 2.0
   57    54    55    62   0.20800  1.0 3.0
   57    54    78    40   0.86500  1.0 1.0
   57    54    78    40  -0.17500 -1.0 2.0
   57    54    78    40   0.20800  1.0 3.0
   57    54    78    72   0.86500  1.0 1.0
   57    54    78    72  -0.17500 -1.0 2.0
   57    54    78    72   0.20800  1.0 3.0
   57    54    78    81   0.86500  1.0 1.0
   57    54    78    81  -0.17500 -1.0 2.0
   57    54    78    81   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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   92    96    94    95  10.50000 -1.0 2.0
   93   101    97    98  10.50000 -1.0 2.0
END
