* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    182    279     531
    1     0 S   NP   _N1_     1    29.33768    93.35335   -26.52469
    2     1 S   H    _HN1     2     1.02958    86.20591    11.37645
    3     1 S   H    _H1_     3     1.02837    23.03563  -143.63877
    4     1 S   H    _H2_     4     1.02776   125.33140   -98.48102
    5     1 S   CT   _CA1     5     1.50125   110.65291   121.75699
    6     5 S   HC   _HA1     6     1.09574   105.21917    83.80861
    7     5 S   CO3  _C1_     7     1.53790   112.36445   -36.39261
    8     7 S   O2Z  _O11     8     1.26365   114.99398   -43.82640
    9     7 S   O2Z  _O12     9     1.26235   114.93364   135.29851
   10     5 S   CT   _CB1    10     1.53103   107.43170  -158.26945
   11    10 S   HC   HB11    11     1.09827   109.34862   -50.45277
   12    10 S   HC   HB12    12     1.09816   110.42387    66.11018
   13    10 S   CT   _CG1    13     1.53017   112.65921  -171.51978
   14    13 S   HC   HG11    14     1.09592   110.49347   -64.20876
   15    13 S   HC   HG12    15     1.09655   109.91905    54.99371
   16    13 S   C    _CD1    16     1.51827   112.32329   175.37327
   17    16 S   O    _OE1    17     1.22772   123.31856     0.30519
   18    16 S   N    _N2_    18     1.38639   111.72086  -179.75934
   19    18 S   H    _HN2    19     1.01570   118.98814     5.09308
   20    18 S   CT1  _CA2    20     1.45575   122.62851   177.67729
   21    20 S   HC   _HA2    21     1.09436   108.26722    21.65175
   22    20 S   C    _C2_    22     1.52904   108.22592   -94.50312
   23    22 S   O    _O2_    23     1.22863   123.33098   -24.31270
   24    20 S   CT   _CB2    32     1.53108   112.30688   144.67035
   25    24 S   HC   HB21    33     1.09607   110.52924    42.51954
   26    24 S   HC   HB22    34     1.09134   110.39471   160.07198
   27    22 S   N    _N3_    24     1.38594   111.93739   158.38156
   28    27 S   H    _HN3    25     1.01692   120.07986    -2.53289
   29    24 S   S    _SG2    35     1.82991   111.25361   -76.82922
   30    27 S   CT   _CA3    26     1.45255   123.11610   178.18113
   31    30 S   HC   HA31    27     1.09540   107.76165   -58.43899
   32    30 S   HC   HA32    28     1.09543   107.74685    58.07442
   33    29 S   CT   _C9_    36     1.86014   101.73092  -120.38924
   34    30 S   CO3  _C3_    29     1.52937   113.88145   179.79158
   35    34 S   O2Z  _O31    30     1.26373   114.58844  -179.93744
   36    34 S   O2Z  _O32    31     1.26408   116.00849    -0.38765
   37    33 S   CT   _C10    37     1.55828   113.67447    61.59859
   38    37 S   HC   _H3_    38     1.09718   108.52189   -70.01828
   39    33 S   CT   _C29    99     1.54391   107.66841   -63.92149
   40    39 S   HC   _H24   100     1.09726   111.52043   -50.31107
   41    39 S   HC   _H25   101     1.09589   111.91695  -168.47472
   42    39 S   HC   _H26   102     1.09396   112.52099    71.50019
   43    37 S   CT   _C11    39     1.56601   110.78812   171.73580
   44    43 S   HC   _H4_    40     1.09678   106.54520    66.53121
   45    37 S   CO4  _C19    73     1.53417   111.71603    47.50863
   46    45 S   O    _O35    74     1.22392   125.30094    51.24207
   47    43 S   CA   _C12    41     1.53609   112.07929  -177.72437
   48    43 S   CM   _C7_    55     1.53164   112.17833   -45.20883
   49    45 S   OS   _O36    75     1.36638   109.60651  -129.86599
   50    47 S   CA   _C13    42     1.41091   119.85798    85.79383
   51    50 S   HA   _H11    43     1.08805   120.61747    -0.45024
   52    48 S   CM   _C8_    56     1.35377   121.25709    17.85897
   53    48 S   CO4  _C6_    63     1.48447   118.47355  -164.36638
   54    53 S   O    _O34    64     1.22106   124.62246   127.74177
   55    49 S   CT   _C20    76     1.43863   115.33439  -178.78824
   56    55 S   HC   _H15    77     1.09583   108.85954   -58.52235
   57    55 S   HC   _H16    78     1.09602   109.33445    61.18696
   58    50 S   CA   _C14    44     1.39390   121.49475   179.08957
   59    58 S   HA   _H12    45     1.08605   120.01714  -179.56885
   60    33 S   NE   _N4_    57     1.45960   107.43186  -179.03005
   61    60 S   H    _H10    58     1.01512   117.36227    30.73705
   62    52 S   CT   _C30    59     1.50754   124.82265   178.98028
   63    62 S   HC   _H27    60     1.09483   109.98134   104.36927
   64    62 S   HC   _H28    61     1.09273   113.55893   -17.40039
   65    62 S   HC   _H29    62     1.09621   110.36585  -136.41373
   66    53 S   OS   _O33    65     1.35879   108.28824   -51.29945
   67    55 S   CT   _C21    79     1.52216   108.77254  -177.54792
   68    67 S   HC   _H17    80     1.09369   110.87256    50.92928
   69    67 S   HC   _H18    81     1.09470   110.00608   171.22676
   70    58 S   CA   _C15    46     1.38724   119.83476     0.09487
   71    70 S   HA   _H13    47     1.08542   120.15249  -179.10082
   72    66 S   CT   _C5_    66     1.43408   115.51149   176.94194
   73    72 S   HC   _H8_    67     1.09570   109.83874   -54.08772
   74    72 S   HC   _H9_    68     1.09523   109.27700    66.27847
   75    67 S   N    _N5_    82     1.45325   111.37619   -67.75513
   76    75 S   H    _H19    83     1.01760   116.68987    83.12423
   77    70 S   CA   _C16    48     1.39259   119.87672     0.93712
   78    77 S   HA   _H14    49     1.08803   118.36019   179.57342
   79    72 S   CT   _C4_    69     1.51554   108.06256  -173.88192
   80    79 S   HC   _H5_    70     1.09501   110.62800   -58.86403
   81    79 S   HC   _H6_    71     1.09518   110.55927    59.32611
   82    79 S   HC   _H7_    72     1.09348   110.92676  -179.80416
   83    75 S   C    _C22    84     1.38433   122.49010   -92.66811
   84    83 S   O    _O37    85     1.22827   124.49510     1.37302
   85    47 S   CA   _C17    50     1.41704   121.81552   -93.77082
   86    83 S   CA   _C23    86     1.48614   116.19803  -179.88465
   87    85 S   CT   _C18    51     1.50979   122.72874    -0.85249
   88    87 S   F    F1__    52     1.36355   113.88061   172.24364
   89    87 S   F    F2__    53     1.36310   112.16655   -68.24079
   90    87 S   F    F3__    54     1.36158   113.42811    51.80675
   91    86 S   CA   _C24    87     1.39859   122.17495    27.69298
   92    91 S   HA   _H20    88     1.08570   121.72947     1.73449
   93    91 S   CA   _C25    89     1.39725   120.10364  -179.31300
   94    93 S   HA   _H21    90     1.08756   119.18618   179.85598
   95    93 S   CA   _C26    91     1.39967   120.60591    -0.20936
   96    95 S   CA   _C27    92     1.39903   119.08277    -1.66871
   97    96 S   HA   _H22    93     1.08725   120.15396  -178.70050
   98    95 S   NZA  _N6_    96     1.40501   120.68620  -179.71129
   99    86 S   CA   _C28    94     1.40029   118.35412  -153.51873
  100    99 S   HA   _H23    95     1.08727   120.95811     0.28462
  101    98 S   NZC  _N7_    97     1.24761   112.26945   -85.23575
  102   101 S   NZT  _N8_    98     1.14123   179.46405  -172.96603
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  15  13
   7   8   4   9   8   2   8   5   4   6   3   5   1   3   2   1
   1   7   7   4   3   5   3   6   5   4   6   3   6   2   3   2
   1   1   8   3   4   9   3   2   1   1   8   4   7   3   7   5
   3   3   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    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    85    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    77    85    87    48    52    60    62    53    54    66    45    46    49  
   47    50    85    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    70    77    78    85    87    88    89    90    48    52    53  
   52    60    61    62    63    64    65    53    54    66    72    50    85  
   55    56    57    67    68    69    75  
   51    58    59    70    71    77    85    87  
   58    59    70    85  
   60    61    62    63    64    65    53    54    66  
   54    66    72    73    74    79    60    62  
   66    72  
   56    57    67    68    69    75    76    83  
   57    67    68    69    75  
   67    68    69    75  
   59    70    71    77    78    85  
   70    71    77  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   72    73    74    79    80    81    82  
   68    69    75    76    83    84    86  
   69    75    76    83  
   75    76    83  
   71    77    78    85    87  
   77    78    85  
   73    74    79    80    81    82  
   74    79    80    81    82  
   79    80    81    82  
   76    83    84    86    91    99  
   83    84    86  
   78    85    87    88    89    90  
   85    87  
   80    81    82  
   81    82  
   82  
    0  
   84    86    91    92    93    96    99   100  
   86    91    99  
   87    88    89    90  
   91    92    93    94    95    96    97    99   100  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    99   100    98  
   93    94    95    99  
   94    95    96    97    99    98   101  
   95    96    98  
   96    97    99   100    98   101   102  
   97    99   100    98   101  
   99   100    98  
  101   102    99  
  100  
    0  
  102  
    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   0.402800   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   76   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   85   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   89   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   90   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700   0.150400   2.0020   1.7750   0.001000000  -0.843144165
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.1800   0.2500  -0.450200   1.7990   1.5900   0.005000000   0.000000000
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.1800   0.2500   0.609100   2.2900   2.0360   0.003973653   1.685851020
  102   3.1800   0.2500  -0.309300   1.7990   1.5900   0.005000000   0.000000000
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    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    85   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    70   469.000  1.400
   70    71   367.000  1.080
   70    77   469.000  1.400
   77    78   367.000  1.080
   77    85   469.000  1.400
   85    87   317.000  1.510
   87    88   367.000  1.332
   87    89   367.000  1.332
   87    90   367.000  1.332
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   337.000  1.449
   75    76   434.000  1.010
   75    83   490.000  1.335
   83    84   570.000  1.229
   83    86   400.000  1.490
   86    91   469.000  1.400
   86    99   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   93    95   469.000  1.400
   95    96   469.000  1.400
   95    98   400.000  1.393
   96    97   367.000  1.080
   96    99   469.000  1.400
   99   100   367.000  1.080
   98   101   555.000  1.236
  101   102   920.000  1.138
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    85    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    85    77    63.00000  120.00000
   47    85    87    70.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    70    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    70    71    35.00000  120.00000
   58    70    77    63.00000  120.00000
   70    58    59    35.00000  120.00000
   70    77    78    35.00000  120.00000
   70    77    85    63.00000  120.00000
   77    70    71    35.00000  120.00000
   77    85    87    70.00000  120.00000
   85    47    50    63.00000  120.00000
   85    77    78    35.00000  120.00000
   85    87    88    50.00000  109.50000
   85    87    89    50.00000  109.50000
   85    87    90    50.00000  109.50000
   89    87    88    77.00000  109.10000
   90    87    88    77.00000  109.10000
   90    87    89    77.00000  109.10000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    72    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    79    50.00000  109.50000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    75    70.00000  110.72300
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   67    75    76    38.00000  118.40000
   67    75    83    50.00000  121.90000
   69    67    68    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    69    35.00000  109.50000
   75    83    84    80.00000  122.90000
   75    83    86    75.00000  113.92100
   83    75    76    35.00000  119.80000
   83    86    91    85.00000  120.00000
   83    86    99    85.00000  120.00000
   86    83    84    80.00000  120.40000
   86    91    92    35.00000  120.00000
   86    91    93    63.00000  120.00000
   86    99    96    63.00000  120.00000
   86    99   100    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    63.00000  120.00000
   93    91    92    35.00000  120.00000
   93    95    96    63.00000  120.00000
   93    95    98    70.00000  121.00300
   95    93    94    35.00000  120.00000
   95    96    97    35.00000  120.00000
   95    96    99    63.00000  120.00000
   95    98   101    95.00000  110.16200
   96    99   100    35.00000  120.00000
   99    86    91    63.00000  120.00000
   99    96    97    35.00000  120.00000
   98    95    96    70.00000  121.00300
   98   101   102    50.00000  173.69900
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    85   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    85    77   3.62500 -1.0 2.0
   43    47    85    87   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    85   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    70   3.62500 -1.0 2.0
   47    85    87    88   0.00000  1.0 1.0
   47    85    87    89   0.00000  1.0 1.0
   47    85    87    90   0.00000  1.0 1.0
   50    47    85    77   3.62500 -1.0 2.0
   50    47    85    87   3.62500 -1.0 2.0
   50    58    70    71   3.62500 -1.0 2.0
   50    58   -70    77   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    70   3.62500 -1.0 2.0
   58    70    77    78   3.62500 -1.0 2.0
   58    70    77    85   3.62500 -1.0 2.0
   59    58    70    71   3.62500 -1.0 2.0
   59    58    70    77   3.62500 -1.0 2.0
   70    77   -85    47   3.62500 -1.0 2.0
   70    77    85    87   3.62500 -1.0 2.0
   71    70    77    78   3.62500 -1.0 2.0
   71    70    77    85   3.62500 -1.0 2.0
   77    85    87    88   0.00000  1.0 1.0
   77    85    87    89   0.00000  1.0 1.0
   77    85    87    90   0.00000  1.0 1.0
   78    77    85    47   3.62500 -1.0 2.0
   78    77    85    87   3.62500 -1.0 2.0
   85    47    50    51   3.62500 -1.0 2.0
   85    47   -50    58   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    85   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    72   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    72    73   0.08050  1.0 3.0
   53    66    72    74   0.08050  1.0 3.0
   53    66    72    79  -0.25900  1.0 1.0
   53    66    72    79  -0.47000 -1.0 2.0
   53    66    72    79   0.11750  1.0 3.0
   54    53    66    72   3.00000 -1.0 2.0
   66    72    79    80   0.23400  1.0 3.0
   66    72    79    81   0.23400  1.0 3.0
   66    72    79    82   0.23400  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    81   0.15000  1.0 3.0
   74    72    79    82   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    75   1.12100  1.0 1.0
   49    55    67    75  -0.16500 -1.0 2.0
   55    67    75    76   0.00000  1.0 1.0
   55    67    75    83  -0.43950  1.0 1.0
   55    67    75    83  -0.08100 -1.0 2.0
   55    67    75    83   0.03350  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    75   0.15000  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    75   0.15000  1.0 3.0
   67    75    83    84   3.04450 -1.0 2.0
   67    75    83    86   1.49850  1.0 1.0
   67    75    83    86   1.53950 -1.0 2.0
   68    67    75    76   0.00000  1.0 1.0
   68    67    75    83   0.00000  1.0 1.0
   69    67    75    76   0.00000  1.0 1.0
   69    67    75    83   0.00000  1.0 1.0
   75    83    86    91   0.75700  1.0 1.0
   75    83    86    91   0.34650 -1.0 2.0
   75    83    86    91   0.33000  1.0 3.0
   75    83    86    91  -0.28100 -1.0 4.0
   75    83    86    99   0.75700  1.0 1.0
   75    83    86    99   0.34650 -1.0 2.0
   75    83    86    99   0.33000  1.0 3.0
   75    83    86    99  -0.28100 -1.0 4.0
   76    75    83    84   2.45000 -1.0 2.0
   76    75    83    86   2.56700 -1.0 2.0
   83    86    91    92   3.62500 -1.0 2.0
   83    86    91    93   3.62500 -1.0 2.0
   83    86    99    96   3.62500 -1.0 2.0
   83    86    99   100   3.62500 -1.0 2.0
   84    83    86    91   1.05000 -1.0 2.0
   84    83    86    99   1.05000 -1.0 2.0
   86    91    93    94   3.62500 -1.0 2.0
   86    91    93    95   3.62500 -1.0 2.0
   91    86    99    96   3.62500 -1.0 2.0
   91    86    99   100   3.62500 -1.0 2.0
   91    93   -95    96   3.62500 -1.0 2.0
   91    93    95    98   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   92    91    93    95   3.62500 -1.0 2.0
   93    95    96    97   3.62500 -1.0 2.0
   93    95    96    99   3.62500 -1.0 2.0
   93    95    98   101  -0.10750  1.0 1.0
   93    95    98   101   2.05950 -1.0 2.0
   93    95    98   101  -0.55750  1.0 3.0
   94    93    95    96   3.62500 -1.0 2.0
   94    93    95    98   3.62500 -1.0 2.0
   95    96   -99    86   3.62500 -1.0 2.0
   95    96    99   100   3.62500 -1.0 2.0
   95    98   101   102   0.00000  1.0 1.0
   96    95    98   101  -0.10750  1.0 1.0
   96    95    98   101   2.05950 -1.0 2.0
   96    95    98   101  -0.55750  1.0 3.0
   97    96    99    86   3.62500 -1.0 2.0
   97    96    99   100   3.62500 -1.0 2.0
   99    86    91    92   3.62500 -1.0 2.0
   99    86   -91    93   3.62500 -1.0 2.0
   98    95    96    97   3.62500 -1.0 2.0
   98    95    96    99   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   50    85    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   70    59    58    50   1.10000 -1.0 2.0
   77    71    70    58   1.10000 -1.0 2.0
   85    78    77    70   1.10000 -1.0 2.0
   77    87    85    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
   76    83    75    67   1.00000 -1.0 2.0
   75    86    83    84  10.50000 -1.0 2.0
   91    99    86    83   4.00000 -1.0 2.0
   93    92    91    86   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   96    98    95    93   4.00000 -1.0 2.0
   99    97    96    95   1.10000 -1.0 2.0
   96   100    99    86   1.10000 -1.0 2.0
END
