* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    204    296     588
    1     0 S   NP   _N1_     1    28.80066    93.94641   -22.58706
    2     1 S   H    _HN1     2     1.02774    95.75629   -83.89926
    3     1 S   H    _H1_     3     1.02948    86.93014    24.30418
    4     1 S   H    _H2_     4     1.02827    28.97391   158.99731
    5     1 S   CT   _CA1     5     1.50097   138.82983   142.25478
    6     5 S   HC   _HA1     6     1.09569   105.24796    67.76374
    7     5 S   CO3  _C1_     7     1.53880   112.43779   -52.59812
    8     7 S   O2Z  _O11     8     1.26389   114.95659   -40.56370
    9     7 S   O2Z  _O12     9     1.26230   115.04288   138.65136
   10     5 S   CT   _CB1    10     1.53131   107.45535  -174.02926
   11    10 S   HC   HB11    11     1.09814   109.66199   -47.56528
   12    10 S   HC   HB12    12     1.09812   110.43003    69.25118
   13    10 S   CT   _CG1    13     1.52872   112.29621  -168.45880
   14    13 S   HC   HG11    14     1.09596   110.47383   -60.50331
   15    13 S   HC   HG12    15     1.09605   109.67964    58.75502
   16    13 S   C    _CD1    16     1.51684   112.63651   178.82065
   17    16 S   O    _OE1    17     1.22703   123.34424    -6.42288
   18    16 S   N    _N2_    18     1.38653   111.48455   173.72689
   19    18 S   H    _HN2    19     1.01509   119.01315     1.25710
   20    18 S   CT1  _CA2    20     1.46218   123.48276  -178.28479
   21    20 S   HC   _HA2    21     1.09690   109.40330    -8.48869
   22    20 S   C    _C2_    22     1.53332   108.46036  -124.72558
   23    22 S   O    _O2_    23     1.23038   122.24524  -150.12723
   24    20 S   CT   _CB2    32     1.53434   111.32226   113.58134
   25    24 S   HC   HB21    33     1.09321   109.00238    62.66642
   26    24 S   HC   HB22    34     1.09511   110.67870  -179.20279
   27    22 S   N    _N3_    24     1.38278   113.62974    36.92393
   28    27 S   H    _HN3    25     1.01651   119.48005    -3.07950
   29    24 S   S    _SG2    35     1.82582   111.45428   -58.90004
   30    27 S   CT   _CA3    26     1.45232   123.11748   177.84278
   31    30 S   HC   HA31    27     1.09545   107.69792   -60.97411
   32    30 S   HC   HA32    28     1.09567   107.78013    55.48537
   33    29 S   CT   _C11    36     1.83181   100.30354   157.55419
   34    33 S   HC   _H7_    37     1.09587   104.15004    68.00306
   35    30 S   CO3  _C3_    29     1.52846   114.06001   177.26856
   36    35 S   O2Z  _O31    30     1.26363   116.03927     0.11869
   37    35 S   O2Z  _O32    31     1.26415   114.44902  -179.56795
   38    33 S   CT   _C12    38     1.53888   114.39890  -174.54012
   39    38 S   HC   _H8_    39     1.10288   105.23197  -165.74726
   40    33 S   OS   _O33    54     1.43307   114.65335   -46.22739
   41    38 S   CT   _C8_    40     1.53717   114.26939    81.49016
   42    41 S   HC   _H4_    41     1.10090   107.42640   162.44646
   43    38 S   CO4  _C13   102     1.52406   114.37919   -52.32801
   44    43 S   O    _O34   103     1.22335   125.12367   131.11289
   45    41 S   CT   _C7_    42     1.52896   119.31498   -75.94560
   46    45 S   HC   _H19    43     1.09207   112.88969    50.33446
   47    45 S   HC   _H20    44     1.09318   113.08647   -72.60967
   48    43 S   OS   _O35   104     1.36660   109.76461   -51.47354
   49    45 S   CT   _C6_    45     1.52558   102.69957   167.84226
   50    49 S   HC   _H17    46     1.09677   109.65060    85.13072
   51    49 S   HC   _H18    47     1.09452   111.35499  -156.17586
   52    48 S   CT   _C14   105     1.43061   115.33980  -179.29835
   53    52 S   HC   _H21   106     1.09326   108.09240  -178.74088
   54    52 S   HC   _H22   107     1.09415   110.24531    62.58097
   55    52 S   HC   _H23   108     1.09426   110.32666   -60.06338
   56    49 S   CT   _C5_    48     1.53820   105.60870   -34.83803
   57    56 S   HC   _H3_    49     1.09711   109.05419  -106.61459
   58    41 S   CT   _C9_    50     1.53507   111.92587    43.62804
   59    58 S   HC   _H5_    51     1.09831   109.31420    76.05653
   60    56 S   CT   _C4_    98     1.52556   111.42901   134.62917
   61    60 S   HC   _H14    99     1.09530   111.47810   -60.77890
   62    60 S   HC   _H15   100     1.09507   110.54332   179.11265
   63    60 S   HC   _H16   101     1.09497   110.67183    59.55974
   64    58 S   CO   _C10    52     1.53977   112.40288   -44.13302
   65    64 S   HC   _H6_    53     1.09663   110.96130   -70.69381
   66    64 S   OS   _O36    55     1.43390   106.35262   171.18053
   67    66 S   CO   _C15    56     1.43121   113.55988   166.74210
   68    67 S   HC   _H9_    57     1.09696   109.35142    43.22190
   69    67 S   CT   _C16    58     1.53263   107.20020   162.25381
   70    69 S   HC   _H10    59     1.09794   110.63765    54.06643
   71    69 S   CT   _C17    60     1.53109   110.76802   175.18867
   72    71 S   HC   _H11    61     1.09803   110.89255    71.35175
   73    69 S   OS   _O44    91     1.44757   108.49184   -66.93703
   74    71 S   CT   _C18    62     1.53338   111.12109   -50.65810
   75    74 S   HC   _H12    63     1.09821   109.39895   -70.59391
   76    71 S   OS   _O42    84     1.44949   108.40103  -168.57047
   77    73 S   CO4  _C27    92     1.36177   118.07250   100.56763
   78    77 S   O    _O45    93     1.22291   126.68215     0.72145
   79    74 S   CT   _C19    64     1.53776   110.65860    49.98799
   80    79 S   HC   _H13    65     1.09858   109.75731    66.77724
   81    74 S   OS   _O40    77     1.44547   108.00029   168.81806
   82    76 S   CO4  _C25    85     1.36168   118.18353   -97.36526
   83    82 S   O    _O43    86     1.22291   126.60520     0.07662
   84    77 S   CT   _C28    94     1.49839   109.33651  -179.36419
   85    84 S   HC   _H35    95     1.09296   109.81949   -60.81212
   86    84 S   HC   _H36    96     1.09376   109.37186  -179.86294
   87    84 S   HC   _H37    97     1.09294   109.80655    61.09610
   88    67 S   OS   _O37    66     1.42679   110.10698   -77.90458
   89    79 S   CT   _C20    67     1.53370   112.04978  -173.10155
   90    89 S   HC   _H24    68     1.09465   109.34344   173.78571
   91    89 S   HC   _H25    69     1.09720   110.22385    55.85382
   92    81 S   CO4  _C23    78     1.36184   118.10200    99.12625
   93    92 S   O    _O41    79     1.22291   126.62272    -0.32264
   94    82 S   CT   _C26    87     1.49832   109.38083  -179.96044
   95    94 S   HC   _H32    88     1.09289   109.80918   -61.47943
   96    94 S   HC   _H33    89     1.09377   109.36969   179.44999
   97    94 S   HC   _H34    90     1.09298   109.82011    60.42735
   98    89 S   OS   _O38    70     1.43224   110.56920   -65.29289
   99    92 S   CT   _C24    80     1.49841   109.36686   179.78060
  100    99 S   HC   _H29    81     1.09286   109.85897   -59.89435
  101    99 S   HC   _H30    82     1.09375   109.36563  -178.88829
  102    99 S   HC   _H31    83     1.09287   109.79900    62.01023
  103    98 S   CO4  _C21    71     1.36238   115.60845  -173.78710
  104   103 S   O    _O39    72     1.22387   126.15781     1.84494
  105   103 S   CT   _C22    73     1.49869   109.87266  -175.39742
  106   105 S   HC   _H26    74     1.09339   109.30847  -152.20086
  107   105 S   HC   _H27    75     1.09238   109.47864    87.29607
  108   105 S   HC   _H28    76     1.09312   110.48225   -33.68380
  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   8   5   4   3
  14   6   2   1   1  16   8   9  18   9   8   2  11   6   5   4
  11   5   4   3   2   1   1  10   7   9   4   4   2   1   1   6
   2   8  13   6  14   7  15   7   9  14   7   8   5   4   9   6
   8   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1
   1   6   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    64    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    58    64    65    40    66    43    44    48  
   38    39    41    64    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    56    58    59    64    40    43    44    48    52  
   41    42    45    58    40    43    44    48  
   66    67    43    41    56    58    59    64    65  
   42    45    46    47    49    50    51    56    57    58    59    64    65    66    60    43    44    48  
   45    46    47    49    56    58    59    64    43  
   44    48    52    53    54    55    45    58  
   48    52  
   46    47    49    50    51    56    57    58    59    64    60  
   47    49    50    51    56    58  
   49    50    51    56    58  
   52    53    54    55  
   50    51    56    57    58    59    64    60    61    62    63  
   51    56    57    58    60  
   56    57    58    60  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    64    65    66    60    61    62    63  
   58    59    64    60    61    62    63  
   59    64    65    66    67    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    88  
   66    67  
   67    68    69    70    71    79    88    73  
   68    69    70    71    72    74    79    80    88    89    76    73    77  
   69    70    71    79    88    73  
   70    71    72    74    75    79    88    81    76    82    73    77    78    84  
   71    72    74    88    76    73    77  
   72    74    75    79    80    88    89    81    92    76    82    83    94    73    77  
   74    75    79    81    76    82    73  
   77    78    84    85    86    87    74    76    88  
   75    79    80    88    89    90    91    98    81    92    93    99    76    82  
   79    80    88    89    81    92    76  
   82    83    94    95    96    97    79    81  
   78    84    85    86    87  
   84    85    86    87  
   80    88    89    90    91    98   103    81    92  
   88    89    90    91    98    81  
   92    93    99   100   101   102    88    89  
   83    94    95    96    97  
   94    95    96    97  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    98  
   90    91    98   103   104   105  
   91    98   103  
   98   103  
   93    99   100   101   102  
   99   100   101   102  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    58   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   250.000  1.527
   64    65   340.000  1.090
   64    40   320.000  1.380
   64    66   320.000  1.380
   66    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    88   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    76   320.000  1.410
   74    75   340.000  1.090
   74    79   268.000  1.529
   74    81   320.000  1.410
   79    80   340.000  1.090
   79    88   320.000  1.410
   79    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    98   320.000  1.410
   98   103   214.000  1.327
  103   104   570.000  1.229
  103   105   317.000  1.522
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   81    92   214.000  1.327
   92    93   570.000  1.229
   92    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   76    82   214.000  1.327
   82    83   570.000  1.229
   82    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   73    77   214.000  1.327
   77    78   570.000  1.229
   77    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    64    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    58    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    58    56    58.35000  112.70000
   41    58    59    37.50000  110.70000
   41    58    64    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    58.35000  112.70000
   49    56    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    75.00000  109.43000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    41    42    37.50000  110.70000
   58    41    45    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    64    65    45.00000  112.01100
   58    64    40    90.00000  108.56700
   58    64    66    90.00000  108.56700
   64    58    59    45.00000  108.72000
   64    66    67   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    64    65    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    64    40    92.60000  111.55000
   66    67    68    35.00000  109.50000
   66    67    69    90.00000  108.56700
   66    67    88    92.60000  111.55000
   67    69    70    45.00000  108.72000
   67    69    71    75.00000  109.43000
   67    69    73    90.00000  109.38000
   67    88    79    60.00000  109.50000
   69    67    68    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    76    50.00000  109.50000
   69    73    77    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    79    58.35000  112.70000
   71    74    81    50.00000  109.50000
   71    76    82    83.00000  116.90000
   74    71    72    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    88    50.00000  109.50000
   74    79    89    58.35000  112.70000
   74    81    92    83.00000  116.90000
   79    74    75    37.50000  110.70000
   79    89    90    37.50000  110.70000
   79    89    91    37.50000  110.70000
   79    89    98    50.00000  109.50000
   88    67    68    35.00000  109.50000
   88    67    69    90.00000  108.56700
   88    79    80    35.00000  109.50000
   89    79    80    37.50000  110.70000
   89    79    88    50.00000  109.50000
   89    98   103    83.00000  116.90000
   91    89    90    33.00000  107.80000
   98    89    90    35.00000  109.50000
   98    89    91    35.00000  109.50000
   98   103   104    83.00000  123.40000
   98   103   105    81.00000  111.40000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  105   103   104    80.00000  120.40000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    79    50.00000  109.50000
   81    92    93    83.00000  123.40000
   81    92    99    81.00000  111.40000
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   99    92    93    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    74    50.00000  109.50000
   76    82    83    83.00000  123.40000
   76    82    94    81.00000  111.40000
   82    94    95    35.00000  109.50000
   82    94    96    35.00000  109.50000
   82    94    97    35.00000  109.50000
   94    82    83    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    77    78    83.00000  123.40000
   73    77    84    81.00000  111.40000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   84    77    78    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    52    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    64   0.14700  1.0 1.0
   29    33    40    64  -1.16150 -1.0 2.0
   29    33    40    64   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    58   0.56750  1.0 1.0
   33    38    41    58  -0.07550 -1.0 2.0
   33    38    41    58   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    64   0.37050  1.0 3.0
   38    33    40    64   0.06250  1.0 1.0
   38    33    40    64  -0.01100 -1.0 2.0
   38    33    40    64   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   38    41    58    56   0.56750  1.0 1.0
   38    41    58    56  -0.07550 -1.0 2.0
   38    41    58    56   0.20000  1.0 3.0
   38    41    58    59   0.15000  1.0 3.0
   38    41   -58    64   3.97050  1.0 1.0
   38    43    48    52   1.63150  1.0 1.0
   38    43    48    52   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    58   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45   -49    56   0.56750  1.0 1.0
   41    45   -49    56  -0.07550 -1.0 2.0
   41    45   -49    56   0.20000  1.0 3.0
   41    58    64    65   0.15000  1.0 3.0
   41    58    64    40   0.62750  1.0 1.0
   41    58    64    40  -0.30950 -1.0 2.0
   41    58    64    40   0.27300  1.0 3.0
   41    58    64    66   0.62750  1.0 1.0
   41    58    64    66  -0.30950 -1.0 2.0
   41    58    64    66   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    58    56   0.15000  1.0 3.0
   42    41    58    59   0.15000  1.0 3.0
   42    41    58    64   0.15000  1.0 3.0
   45    41   -58    56   0.56750  1.0 1.0
   45    41   -58    56  -0.07550 -1.0 2.0
   45    41   -58    56   0.20000  1.0 3.0
   45    41    58    59   0.15000  1.0 3.0
   45    41    58    64   3.97050  1.0 1.0
   45    49    56    57   0.15000  1.0 3.0
   45    49   -56    58   0.56750  1.0 1.0
   45    49   -56    58  -0.07550 -1.0 2.0
   45    49   -56    58   0.20000  1.0 3.0
   45    49    56    60   0.56750  1.0 1.0
   45    49    56    60  -0.07550 -1.0 2.0
   45    49    56    60   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    56   0.15000  1.0 3.0
   49    56   -58    41   0.56750  1.0 1.0
   49    56   -58    41  -0.07550 -1.0 2.0
   49    56   -58    41   0.20000  1.0 3.0
   49    56    58    59   0.15000  1.0 3.0
   49    56    58    64   3.97050  1.0 1.0
   49    56    60    61   0.15000  1.0 3.0
   49    56    60    62   0.15000  1.0 3.0
   49    56    60    63   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    60   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    60   0.15000  1.0 3.0
   56    58    64    65   0.15000  1.0 3.0
   56    58    64    40   0.62750  1.0 1.0
   56    58    64    40  -0.30950 -1.0 2.0
   56    58    64    40   0.27300  1.0 3.0
   56    58    64    66   0.62750  1.0 1.0
   56    58    64    66  -0.30950 -1.0 2.0
   56    58    64    66   0.27300  1.0 3.0
   57    56    58    41   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    41    45    46   0.15000  1.0 3.0
   58    41    45    47   0.15000  1.0 3.0
   58    41   -45    49   0.56750  1.0 1.0
   58    41   -45    49  -0.07550 -1.0 2.0
   58    41   -45    49   0.20000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64   -40    33   0.06250  1.0 1.0
   58    64   -40    33  -0.01100 -1.0 2.0
   58    64   -40    33   0.28050  1.0 3.0
   58    64    66    67   0.06250  1.0 1.0
   58    64    66    67  -0.01100 -1.0 2.0
   58    64    66    67   0.28050  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    40   0.23400  1.0 3.0
   59    58    64    66   0.23400  1.0 3.0
   64    66    67    68   0.37050  1.0 3.0
   64    66    67    69   0.06250  1.0 1.0
   64    66    67    69  -0.01100 -1.0 2.0
   64    66    67    69   0.28050  1.0 3.0
   64    66    67    88  -0.53350  1.0 1.0
   64    66    67    88  -0.78350 -1.0 2.0
   64    66    67    88   0.33750  1.0 3.0
   65    64    40    33   0.37050  1.0 3.0
   65    64    66    67   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    64    66    67  -0.53350  1.0 1.0
   40    64    66    67  -0.78350 -1.0 2.0
   40    64    66    67   0.33750  1.0 3.0
   66    64    40    33  -0.81800  1.0 1.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.62750  1.0 1.0
   66    67    69    71  -0.30950 -1.0 2.0
   66    67    69    71   0.27300  1.0 3.0
   66    67    69    73   1.11900  1.0 1.0
   66    67    69    73  -1.16350 -1.0 2.0
   66    67    69    73  -0.34150  1.0 3.0
   66    67    88    79  -0.81800  1.0 1.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    74   3.97050  1.0 1.0
   67    69    71    76   0.62750  1.0 1.0
   67    69    71    76  -0.30950 -1.0 2.0
   67    69    71    76   0.27300  1.0 3.0
   67    69    73    77  -0.25900  1.0 1.0
   67    69    73    77  -0.47000 -1.0 2.0
   67    69    73    77   0.11750  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    88    79   0.37050  1.0 3.0
   69    67    88    79   0.06250  1.0 1.0
   69    67    88    79  -0.01100 -1.0 2.0
   69    67    88    79   0.28050  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71   -74    79   0.56750  1.0 1.0
   69    71   -74    79  -0.07550 -1.0 2.0
   69    71   -74    79   0.20000  1.0 3.0
   69    71    74    81   0.62750  1.0 1.0
   69    71    74    81  -0.30950 -1.0 2.0
   69    71    74    81   0.27300  1.0 3.0
   69    71    76    82  -0.25900  1.0 1.0
   69    71    76    82  -0.47000 -1.0 2.0
   69    71    76    82   0.11750  1.0 3.0
   69    73    77    78   3.00000 -1.0 2.0
   69    73    77    84   1.63150  1.0 1.0
   69    73    77    84   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    76   0.23400  1.0 3.0
   70    69    73    77   0.08050  1.0 3.0
   71    69    73    77  -0.25900  1.0 1.0
   71    69    73    77  -0.47000 -1.0 2.0
   71    69    73    77   0.11750  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    88   0.62750  1.0 1.0
   71    74    79    88  -0.30950 -1.0 2.0
   71    74    79    88   0.27300  1.0 3.0
   71    74    79    89   0.56750  1.0 1.0
   71    74    79    89  -0.07550 -1.0 2.0
   71    74    79    89   0.20000  1.0 3.0
   71    74    81    92  -0.25900  1.0 1.0
   71    74    81    92  -0.47000 -1.0 2.0
   71    74    81    92   0.11750  1.0 3.0
   71    76    82    83   3.00000 -1.0 2.0
   71    76    82    94   1.63150  1.0 1.0
   71    76    82    94   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   72    71    74    81   0.23400  1.0 3.0
   72    71    76    82   0.08050  1.0 3.0
   74    71    76    82  -0.25900  1.0 1.0
   74    71    76    82  -0.47000 -1.0 2.0
   74    71    76    82   0.11750  1.0 3.0
   74    79   -88    67   0.06250  1.0 1.0
   74    79   -88    67  -0.01100 -1.0 2.0
   74    79   -88    67   0.28050  1.0 3.0
   74    79    89    90   0.15000  1.0 3.0
   74    79    89    91   0.15000  1.0 3.0
   74    79    89    98   0.62750  1.0 1.0
   74    79    89    98  -0.30950 -1.0 2.0
   74    79    89    98   0.27300  1.0 3.0
   74    81    92    93   3.00000 -1.0 2.0
   74    81    92    99   1.63150  1.0 1.0
   74    81    92    99   2.92000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    88   0.23400  1.0 3.0
   75    74    79    89   0.15000  1.0 3.0
   75    74    81    92   0.08050  1.0 3.0
   79    74    81    92  -0.25900  1.0 1.0
   79    74    81    92  -0.47000 -1.0 2.0
   79    74    81    92   0.11750  1.0 3.0
   79    89    98   103  -0.25900  1.0 1.0
   79    89    98   103  -0.47000 -1.0 2.0
   79    89    98   103   0.11750  1.0 3.0
   80    79    88    67   0.37050  1.0 3.0
   80    79    89    90   0.15000  1.0 3.0
   80    79    89    91   0.15000  1.0 3.0
   80    79    89    98   0.23400  1.0 3.0
   88    67    69    70   0.23400  1.0 3.0
   88    67   -69    71   0.62750  1.0 1.0
   88    67   -69    71  -0.30950 -1.0 2.0
   88    67   -69    71   0.27300  1.0 3.0
   88    67    69    73   1.11900  1.0 1.0
   88    67    69    73  -1.16350 -1.0 2.0
   88    67    69    73  -0.34150  1.0 3.0
   88    79    89    90   0.23400  1.0 3.0
   88    79    89    91   0.23400  1.0 3.0
   88    79    89    98   1.11900  1.0 1.0
   88    79    89    98  -1.16350 -1.0 2.0
   88    79    89    98  -0.34150  1.0 3.0
   89    79    88    67   0.06250  1.0 1.0
   89    79    88    67  -0.01100 -1.0 2.0
   89    79    88    67   0.28050  1.0 3.0
   89    98   103   104   3.00000 -1.0 2.0
   89    98   103   105   1.63150  1.0 1.0
   89    98   103   105   2.92000 -1.0 2.0
   90    89    98   103   0.08050  1.0 3.0
   91    89    98   103   0.08050  1.0 3.0
   98   103   105   106   0.00000  1.0 1.0
   98   103   105   107   0.00000  1.0 1.0
   98   103   105   108   0.00000  1.0 1.0
  104   103   105   106   0.00000  1.0 1.0
  104   103   105   107   0.00000  1.0 1.0
  104   103   105   108   0.00000  1.0 1.0
   81    74    79    80   0.23400  1.0 3.0
   81    74    79    88   1.11900  1.0 1.0
   81    74    79    88  -1.16350 -1.0 2.0
   81    74    79    88  -0.34150  1.0 3.0
   81    74    79    89   0.62750  1.0 1.0
   81    74    79    89  -0.30950 -1.0 2.0
   81    74    79    89   0.27300  1.0 3.0
   81    92    99   100   0.00000  1.0 1.0
   81    92    99   101   0.00000  1.0 1.0
   81    92    99   102   0.00000  1.0 1.0
   93    92    99   100   0.00000  1.0 1.0
   93    92    99   101   0.00000  1.0 1.0
   93    92    99   102   0.00000  1.0 1.0
   76    71    74    75   0.23400  1.0 3.0
   76    71    74    79   0.62750  1.0 1.0
   76    71    74    79  -0.30950 -1.0 2.0
   76    71    74    79   0.27300  1.0 3.0
   76    71    74    81   1.11900  1.0 1.0
   76    71    74    81  -1.16350 -1.0 2.0
   76    71    74    81  -0.34150  1.0 3.0
   76    82    94    95   0.00000  1.0 1.0
   76    82    94    96   0.00000  1.0 1.0
   76    82    94    97   0.00000  1.0 1.0
   83    82    94    95   0.00000  1.0 1.0
   83    82    94    96   0.00000  1.0 1.0
   83    82    94    97   0.00000  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    76   1.11900  1.0 1.0
   73    69    71    76  -1.16350 -1.0 2.0
   73    69    71    76  -0.34150  1.0 3.0
   73    77    84    85   0.00000  1.0 1.0
   73    77    84    86   0.00000  1.0 1.0
   73    77    84    87   0.00000  1.0 1.0
   78    77    84    85   0.00000  1.0 1.0
   78    77    84    86   0.00000  1.0 1.0
   78    77    84    87   0.00000  1.0 1.0
   60    56    58    41   0.56750  1.0 1.0
   60    56    58    41  -0.07550 -1.0 2.0
   60    56    58    41   0.20000  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   3.97050  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    58  -0.95700  1.0 1.0
   43    38    41    58  -0.18200 -1.0 2.0
   43    38    41    58   0.29450  1.0 3.0
   43    48    52    53   0.08050  1.0 3.0
   43    48    52    54   0.08050  1.0 3.0
   43    48    52    55   0.08050  1.0 3.0
   44    43    48    52   3.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   98   105   103   104  10.50000 -1.0 2.0
   81    99    92    93  10.50000 -1.0 2.0
   76    94    82    83  10.50000 -1.0 2.0
   73    84    77    78  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
