* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    202    303     594
    1     0 S   NP   _N1_     1    29.13805    98.44293   -20.29688
    2     1 S   H    _HN1     2     1.02780    78.62423   -73.12334
    3     1 S   H    _H1_     3     1.02943    71.79754    40.73821
    4     1 S   H    _H2_     4     1.02831    56.84280   166.50526
    5     1 S   CT   _CA1     5     1.50169   166.51053   142.39977
    6     5 S   HC   _HA1     6     1.09579   105.12816    80.71814
    7     5 S   CO3  _C1_     7     1.53781   112.29916   -39.29216
    8     7 S   O2Z  _O11     8     1.26428   115.01466   -43.65883
    9     7 S   O2Z  _O12     9     1.26212   114.91264   135.25419
   10     5 S   CT   _CB1    10     1.53085   107.37515  -161.48253
   11    10 S   HC   HB11    11     1.09824   109.22582   -49.52586
   12    10 S   HC   HB12    12     1.09802   110.51853    67.01729
   13    10 S   CT   _CG1    13     1.52987   112.68989  -170.54564
   14    13 S   HC   HG11    14     1.09487   110.55841   -64.90976
   15    13 S   HC   HG12    15     1.09674   109.90252    54.08152
   16    13 S   C    _CD1    16     1.51897   112.31993   173.95749
   17    16 S   O    _OE1    17     1.22739   123.25575    -4.69219
   18    16 S   N    _N2_    18     1.38594   111.64779   176.53638
   19    18 S   H    _HN2    19     1.01583   118.87471    -0.85843
   20    18 S   CT1  _CA2    20     1.46326   123.57844   176.14004
   21    20 S   HC   _HA2    21     1.09735   109.45044    -4.79428
   22    20 S   C    _C2_    22     1.53512   108.10946  -120.04797
   23    22 S   O    _O2_    23     1.23033   122.48844  -147.48563
   24    20 S   CT   _CB2    32     1.53279   111.44660   117.64033
   25    24 S   HC   HB21    33     1.09476   109.48037    53.11153
   26    24 S   HC   HB22    34     1.09488   110.63594   171.82500
   27    22 S   N    _N3_    24     1.38406   113.49494    40.03621
   28    27 S   H    _HN3    25     1.01623   119.45586    -3.73958
   29    24 S   S    _SG2    35     1.82797   111.10479   -69.15825
   30    27 S   CT   _CA3    26     1.45277   123.18408   177.01325
   31    30 S   HC   HA31    27     1.09552   107.53414   -63.75308
   32    30 S   HC   HA32    28     1.09559   107.94352    52.66302
   33    29 S   CT   _C13    36     1.86160   100.82191   152.53943
   34    33 S   OM   _O36    37     1.32338   109.06766  -178.87326
   35    30 S   CO3  _C3_    29     1.52945   114.11341   174.63422
   36    35 S   O2Z  _O31    30     1.26371   116.05904    -0.77329
   37    35 S   O2Z  _O32    31     1.26430   114.41279   179.28893
   38    33 S   CT   _C14    38     1.59021   110.40112    62.10288
   39    38 S   HC   _H6_    39     1.09852   107.18707   -63.93449
   40    33 S   OS   _O33    52     1.45757   111.97441   -53.48137
   41    38 S   CT   _C15    40     1.55246   116.13803    56.69869
   42    41 S   HC   _H15    41     1.09520   109.90879   -51.41015
   43    41 S   HC   _H16    42     1.09769   110.18760    65.56620
   44    38 S   NT   _N8_    49     1.48368   110.96493  -177.67973
   45    44 S   H    _H19    50     1.01828   109.49729   163.77123
   46    44 S   H    _H20    51     1.01949   108.76617    47.82950
   47    40 S   CA   _C11    53     1.38685   121.65208   -65.33556
   48    41 S   CT   _C16    43     1.53224   113.41778  -172.01967
   49    48 S   HC   _H17    44     1.09715   109.26661    51.70309
   50    48 S   HC   _H18    45     1.09613   110.20069   -66.26842
   51    47 S   CA   _C10    54     1.38214   115.89896  -170.88555
   52    48 S   CO3  _C17    46     1.53290   115.32279   172.98810
   53    52 S   O2Z  _O35    47     1.26568   114.00763  -171.12358
   54    52 S   O2Z  _O34    48     1.26118   116.77394     9.24437
   55    51 S   CA   _C9_    55     1.38502   114.88801   176.33697
   56    55 S   NB   _N6_    56     1.34970   123.50468     1.90382
   57    55 S   NI   _N4_    62     1.40445   121.30028  -177.80438
   58    56 S   CQ   _C12    57     1.34646   117.16532    -0.73061
   59    57 S   CD   _C8_    63     1.29659   117.50058     7.82747
   60    59 S   HC   _H12    64     1.10278   117.64034  -179.86878
   61    47 S   NB   _N5_    58     1.34865   120.77179     7.17586
   62    58 S   NE   _N7_    59     1.38108   118.42880   178.71002
   63    62 S   H    _H13    60     1.01218   119.36457    -6.60747
   64    62 S   H    _H14    61     1.00947   119.29932  -177.56458
   65    59 S   CT   _C7_    65     1.51771   125.73254     1.19091
   66    65 S   HC   _H5_    66     1.09619   106.52878  -133.75554
   67    51 S   NE   _N9_    67     1.38040   123.77777    -1.80548
   68    67 S   H    _H21    68     1.01378   118.97824    -2.84352
   69    65 S   CT   _C6_    69     1.54881   112.43416   106.79041
   70    69 S   HC   _H4_    70     1.09864   106.98349   174.25833
   71    69 S   CT   _C5_    71     1.54181   113.96868    55.19435
   72    71 S   HC   _H3_    72     1.09722   109.53324   -68.15735
   73    69 S   OS   _O37    95     1.44958   109.13207   -66.05587
   74    71 S   CT   _C4_    73     1.52949   111.15967   171.84539
   75    74 S   HC   _H9_    74     1.09569   110.77920   -61.59549
   76    74 S   HC   _H10    75     1.09307   111.85487    59.79950
   77    74 S   HC   _H11    76     1.09506   110.72213  -179.52358
   78    71 S   OS   _O41    77     1.44306   108.41510    52.78035
   79    73 S   CO4  _C18    96     1.36456   117.69995  -103.80904
   80    79 S   O    _O38    97     1.22475   125.79863    -6.71650
   81    78 S   CO4  _C23    78     1.36370   117.51224  -155.00898
   82    81 S   O    _O42    79     1.22423   125.85294     2.79379
   83    79 S   CT1  _C19    98     1.51814   110.27166   171.80161
   84    83 S   HC   _H7_    99     1.09458   110.09791   -44.09793
   85    81 S   CT1  _C24    80     1.51724   110.02232  -178.67160
   86    85 S   HC   _H8_    81     1.09558   107.97440   -65.20497
   87    83 S   CTJ  _C20   100     1.52929   112.50150    82.32348
   88    87 S   HC   _H22   101     1.09794   109.99792    43.96943
   89    87 S   HC   _H23   102     1.09808   109.64022   160.87527
   90    83 S   NP   _N10   109     1.49951   108.81046  -158.66286
   91    90 S   H    _H26   110     1.02879   111.94283   -58.00987
   92    90 S   H    _H27   111     1.02803   112.09729  -179.56479
   93    90 S   H    _H28   112     1.03498   111.72094    61.36232
   94    85 S   CTJ  _C25    82     1.53164   113.39511    57.29583
   95    94 S   HC   _H29    83     1.09809   108.90695  -176.15830
   96    94 S   HC   _H30    84     1.09767   109.01329   -61.05965
   97    85 S   NP   _N11    91     1.49509   110.27765  -179.61948
   98    97 S   H    _H33    92     1.02853   111.74475  -178.63542
   99    97 S   H    _H34    93     1.02891   111.04663    61.28299
  100    97 S   H    _H35    94     1.02904   111.67996   -57.80079
  101    87 S   CTI  _C21   103     1.52773   112.77688   -78.45815
  102   101 S   HC   _H24   104     1.09706   109.41344   -55.27057
  103   101 S   HC   _H25   105     1.09451   110.31727    62.68163
  104    94 S   CTI  _C26    85     1.52936   114.60958    61.35920
  105   104 S   HC   _H31    86     1.09646   109.92368   -55.53710
  106   104 S   HC   _H32    87     1.09604   110.18208    62.80271
  107   101 S   CO3  _C22   106     1.53240   114.85642  -176.42554
  108   107 S   O2Z  _O40   107     1.26464   113.99782   176.67339
  109   107 S   O2Z  _O39   108     1.26116   116.56529    -3.51864
  110   104 S   CO3  _C27    88     1.53294   114.66644  -176.55974
  111   110 S   O2Z  _O44    89     1.26452   113.94306   175.27918
  112   110 S   O2Z  _O43    90     1.26089   116.54321    -4.96972
  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  13   8   8  11   6   5   3   1   1  10   5
   4   3  11   2   1   1  10   8   7   4   9   4   4   2   1   1
  11   6   5   1  13   6  11   7   8   5   3   2   1   6  11   4
  11   4  12   8  12   8  12   6   5   4   2   1   1  12   6   5
   4   2   1   1   5   4   3   5   4   3   2   1   1   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    44    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    44    45    46    40    47    51    61  
   38    39    41    44    40    47  
   36    37  
   37  
    0  
   39    41    42    43    48    49    50    52    44    45    46    40    47  
   41    42    43    48    44    45    46    40  
   47    51    55    58    61    67    41    44  
   42    43    48    49    50    52    53    54    44    45    46  
   43    48    49    50    52    44  
   48    49    50    52    44  
   45    46    48  
   46  
    0  
   51    55    56    58    61    62    57    65    67    68  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    58    61    57    59    65    66    67    68    69  
   53    54  
   54  
    0  
   56    58    61    62    57    59    60    65    67    68  
   58    61    62    63    64    57    59    67  
   59    60    65    66    67    69    58  
   61    62    63    64  
   60    65    66    67    68    69    70    71    73  
   65    66    67    69  
   62    63    64    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74    78    73    79  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69  
   70    71    72    74    75    76    77    78    81    73    79    80    83  
   71    72    74    78    73    79  
   72    74    75    76    77    78    81    82    85    73    79  
   74    75    76    77    78    81    73  
   79    80    83    84    87    90    74    78  
   75    76    77    78    81  
   76    77    78  
   77    78  
   78  
   81    82    85    86    94    97  
   80    83    84    87    88    89   101    90    91    92    93  
   83    84    87    90  
   82    85    86    94    95    96   104    97    98    99   100  
   85    86    94    97  
   84    87    88    89   101   102   103   107    90    91    92    93  
   87    88    89   101    90    91    92    93  
   86    94    95    96   104   105   106   110    97    98    99   100  
   94    95    96   104    97    98    99   100  
   88    89   101   102   103   107   108   109    90    91    92    93  
   89   101   102   103   107    90  
  101   102   103   107    90  
   91    92    93   101  
   92    93  
   93  
    0  
   95    96   104   105   106   110   111   112    97    98    99   100  
   96   104   105   106   110    97  
  104   105   106   110    97  
   98    99   100   104  
   99   100  
  100  
    0  
  102   103   107   108   109  
  103   107   108   109  
  107   108   109  
  105   106   110   111   112  
  106   110   111   112  
  110   111   112  
  108   109  
  109  
    0  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.764000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700   0.694800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2800   0.1700  -0.420500   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   91   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   98   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   99   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  100   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  110   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   570.000  1.307
   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    44   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   44    45   434.000  1.010
   44    46   434.000  1.010
   40    47   450.000  1.364
   47    51   469.000  1.400
   47    61   483.000  1.339
   51    55   469.000  1.400
   51    67   481.000  1.340
   55    56   483.000  1.339
   55    57   400.000  1.385
   56    58   502.000  1.324
   58    61   502.000  1.324
   58    62   410.000  1.375
   62    63   434.000  1.010
   62    64   434.000  1.010
   57    59   500.000  1.261
   59    60   370.000  1.093
   59    65   270.000  1.508
   65    66   340.000  1.090
   65    67   382.000  1.448
   65    69   268.000  1.529
   67    68   434.000  1.010
   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    78   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    85   255.000  1.522
   85    86   340.000  1.090
   85    94   268.000  1.529
   85    97   367.000  1.471
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   110   317.000  1.522
  110   111   656.000  1.250
  110   112   656.000  1.250
   97    98   434.000  1.010
   97    99   434.000  1.010
   97   100   434.000  1.010
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    83   255.000  1.522
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   107   317.000  1.522
  107   108   656.000  1.250
  107   109   656.000  1.250
   90    91   434.000  1.010
   90    92   434.000  1.010
   90    93   434.000  1.010
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    85.00000  114.68000
   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    44    56.20000  109.47000
   33    40    47    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    70.00000  109.69300
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    52    53    70.00000  117.00000
   48    52    54    70.00000  117.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   54    52    53    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    41    56.20000  109.47000
   46    44    45    43.60000  106.40000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    47    51    70.00000  120.00000
   40    47    61    95.00000  115.10700
   47    51    55    63.00000  120.00000
   47    51    67    70.00000  120.10000
   47    61    58    70.00000  118.60000
   51    55    56    70.00000  124.00000
   51    55    57    70.00000  120.44500
   51    67    65    50.00000  120.00000
   51    67    68    35.00000  113.50000
   55    56    58    70.00000  118.60000
   55    57    59    70.00000  113.96500
   56    58    61    70.00000  129.10000
   56    58    62    85.00000  116.09700
   58    62    63    50.00000  113.31100
   58    62    64    50.00000  113.31100
   61    47    51    70.00000  124.00000
   62    58    61    85.00000  116.09700
   64    62    63    35.00000  109.00000
   57    55    56    75.00000  118.65000
   57    59    60    45.00000  120.55300
   57    59    65    65.00000  122.10100
   59    65    66    45.00000  109.49600
   59    65    67    80.00000  112.42400
   59    65    69    70.00000  111.76100
   65    59    60    40.00000  113.58700
   65    67    68    35.00000  112.50000
   65    69    70    37.50000  110.70000
   65    69    71    58.35000  112.70000
   65    69    73    50.00000  109.50000
   67    51    55    70.00000  120.10000
   67    65    66    35.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    80.00000  111.61500
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    78    50.00000  109.50000
   69    73    79    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    81    83.00000  116.90000
   74    71    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    74    50.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    85    90.00000  109.72300
   81    85    86    45.00000  110.09800
   81    85    94    65.00000  117.82000
   81    85    97    85.00000  107.27000
   85    81    82    75.00000  123.42600
   85    94    95    37.50000  110.70000
   85    94    96    37.50000  110.70000
   85    94   104    58.35000  112.70000
   85    97    98    35.00000  109.50000
   85    97    99    35.00000  109.50000
   85    97   100    35.00000  109.50000
   94    85    86    37.50000  110.70000
   94   104   105    37.50000  110.70000
   94   104   106    37.50000  110.70000
   94   104   110    63.00000  111.10000
   96    94    95    33.00000  107.80000
  104    94    95    37.50000  110.70000
  104    94    96    37.50000  110.70000
  104   110   111    70.00000  117.00000
  104   110   112    70.00000  117.00000
  106   104   105    33.00000  107.80000
  110   104   105    35.00000  109.50000
  110   104   106    35.00000  109.50000
  112   110   111    80.00000  126.00000
   97    85    86    35.00000  109.50000
   97    85    94    80.00000  111.20000
   99    97    98    35.00000  109.50000
  100    97    98    35.00000  109.50000
  100    97    99    35.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    83    90.00000  109.72300
   79    83    84    45.00000  110.09800
   79    83    87    65.00000  117.82000
   79    83    90    85.00000  107.27000
   83    79    80    75.00000  123.42600
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87   101    58.35000  112.70000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   87    83    84    37.50000  110.70000
   87   101   102    37.50000  110.70000
   87   101   103    37.50000  110.70000
   87   101   107    63.00000  111.10000
   89    87    88    33.00000  107.80000
  101    87    88    37.50000  110.70000
  101    87    89    37.50000  110.70000
  101   107   108    70.00000  117.00000
  101   107   109    70.00000  117.00000
  103   101   102    33.00000  107.80000
  107   101   102    35.00000  109.50000
  107   101   103    35.00000  109.50000
  109   107   108    80.00000  126.00000
   90    83    84    35.00000  109.50000
   90    83    87    80.00000  111.20000
   92    90    91    35.00000  109.50000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    47   0.14700  1.0 1.0
   29    33    40    47  -1.16150 -1.0 2.0
   29    33    40    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    48   0.56750  1.0 1.0
   33    38    41    48  -0.07550 -1.0 2.0
   33    38    41    48   0.20000  1.0 3.0
   33    38    44    45  -0.05950  1.0 1.0
   33    38    44    45   0.08850 -1.0 2.0
   33    38    44    45   0.11750  1.0 3.0
   33    38    44    46  -0.05950  1.0 1.0
   33    38    44    46   0.08850 -1.0 2.0
   33    38    44    46   0.11750  1.0 3.0
   33    40    47    51   1.63200 -1.0 2.0
   33    40    47    61  -0.24600  1.0 1.0
   33    40    47    61   2.11300 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.74050  1.0 1.0
   34    33    40    47  -0.25600  1.0 1.0
   34    33    40    47  -0.40050 -1.0 2.0
   34    33    40    47   0.34700  1.0 3.0
   38    33    40    47  -0.32850  1.0 1.0
   38    33    40    47  -0.35800 -1.0 2.0
   38    33    40    47   0.33950  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52  -1.63150  1.0 1.0
   38    41    48    52  -0.43550 -1.0 2.0
   38    41    48    52   0.24500  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   41    38    44    45  -0.05950  1.0 1.0
   41    38    44    45   0.08850 -1.0 2.0
   41    38    44    45   0.11750  1.0 3.0
   41    38    44    46  -0.05950  1.0 1.0
   41    38    44    46   0.08850 -1.0 2.0
   41    38    44    46   0.11750  1.0 3.0
   41    48    52    53   0.41150 -1.0 2.0
   41    48    52    54   0.41150 -1.0 2.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52  -0.11250  1.0 3.0
   43    41    48    49   0.15000  1.0 3.0
   43    41    48    50   0.15000  1.0 3.0
   43    41    48    52  -0.11250  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    54   0.00000  1.0 1.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    48   1.53400  1.0 1.0
   44    38    41    48  -0.09950 -1.0 2.0
   44    38    41    48   0.05700  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    44   1.74050  1.0 1.0
   40    47    51    55   3.62500 -1.0 2.0
   40    47    51    67   3.62500 -1.0 2.0
   40    47    61    58   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    57   3.62500 -1.0 2.0
   47    51    67    65  -1.00000  1.0 1.0
   47    51    67    65   1.25000 -1.0 2.0
   47    51    67    68   1.00000 -1.0 2.0
   51    47    61    58   3.62500 -1.0 2.0
   51    55   -56    58   3.62500 -1.0 2.0
   51    55    57    59   1.25000 -1.0 2.0
   55    51    67    65  -1.00000  1.0 1.0
   55    51    67    65   1.25000 -1.0 2.0
   55    51    67    68   1.00000 -1.0 2.0
   55    56    58    61   3.62500 -1.0 2.0
   55    56    58    62   3.62500 -1.0 2.0
   55    57    59    60   4.00000 -1.0 2.0
   55    57   -59    65   6.00000 -1.0 2.0
   56    55    57    59   1.25000 -1.0 2.0
   56    58   -61    47   3.62500 -1.0 2.0
   56    58    62    63   1.75000 -1.0 2.0
   56    58    62    64   1.75000 -1.0 2.0
   61    47   -51    55   3.62500 -1.0 2.0
   61    47    51    67   3.62500 -1.0 2.0
   61    58    62    63   1.75000 -1.0 2.0
   61    58    62    64   1.75000 -1.0 2.0
   62    58    61    47   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    59    65    66   0.00000  1.0 1.0
   57    59    65    67   0.00000  1.0 1.0
   57    59    65    69   0.00000  1.0 1.0
   59    65   -67    51  -0.12500  1.0 1.0
   59    65   -67    51  -0.12500 -1.0 2.0
   59    65   -67    51   0.25000  1.0 3.0
   59    65    67    68  -0.12500  1.0 1.0
   59    65    67    68  -0.12500 -1.0 2.0
   59    65    67    68   0.25000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.34400  1.0 1.0
   59    65    69    71   0.09450 -1.0 2.0
   59    65    69    71   0.11100  1.0 3.0
   59    65    69    73   0.61850  1.0 1.0
   59    65    69    73  -0.22750 -1.0 2.0
   59    65    69    73   0.15300  1.0 3.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    74   0.56750  1.0 1.0
   65    69    71    74  -0.07550 -1.0 2.0
   65    69    71    74   0.20000  1.0 3.0
   65    69    71    78   0.62750  1.0 1.0
   65    69    71    78  -0.30950 -1.0 2.0
   65    69    71    78   0.27300  1.0 3.0
   65    69    73    79  -0.25900  1.0 1.0
   65    69    73    79  -0.47000 -1.0 2.0
   65    69    73    79   0.11750  1.0 3.0
   66    65    67    51   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   67    51    55    56   3.62500 -1.0 2.0
   67    51   -55    57   3.62500 -1.0 2.0
   67    65    69    70   0.22950  1.0 3.0
   67    65    69    71   1.26750  1.0 1.0
   67    65    69    71  -0.00950 -1.0 2.0
   67    65    69    71   0.30600  1.0 3.0
   67    65    69    73   2.03850  1.0 1.0
   67    65    69    73  -0.40600 -1.0 2.0
   69    65    67    51  -0.12500  1.0 1.0
   69    65    67    51  -0.12500 -1.0 2.0
   69    65    67    51   0.25000  1.0 3.0
   69    65    67    68   0.00000  1.0 1.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    81  -0.25900  1.0 1.0
   69    71    78    81  -0.47000 -1.0 2.0
   69    71    78    81   0.11750  1.0 3.0
   69    73    79    80   3.00000 -1.0 2.0
   69    73    79    83   1.63150  1.0 1.0
   69    73    79    83   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    78   0.23400  1.0 3.0
   70    69    73    79   0.08050  1.0 3.0
   71    69    73    79  -0.25900  1.0 1.0
   71    69    73    79  -0.47000 -1.0 2.0
   71    69    73    79   0.11750  1.0 3.0
   71    78    81    82   3.00000 -1.0 2.0
   71    78    81    85   1.63150  1.0 1.0
   71    78    81    85   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    81   0.08050  1.0 3.0
   74    71    78    81  -0.25900  1.0 1.0
   74    71    78    81  -0.47000 -1.0 2.0
   74    71    78    81   0.11750  1.0 3.0
   78    71    74    75   0.23400  1.0 3.0
   78    71    74    76   0.23400  1.0 3.0
   78    71    74    77   0.23400  1.0 3.0
   78    81    85    86   0.00000  1.0 1.0
   78    81    85    94   0.36750  1.0 3.0
   78    81    85    97   0.40000  1.0 3.0
   81    85    94    95  -0.03800  1.0 3.0
   81    85    94    96  -0.03800  1.0 3.0
   81    85    94   104  -0.76350  1.0 1.0
   81    85    94   104   1.70300 -1.0 2.0
   81    85    97    98   0.17350  1.0 3.0
   81    85    97    99   0.17350  1.0 3.0
   81    85    97   100   0.17350  1.0 3.0
   82    81    85    86   0.00000  1.0 1.0
   82    81    85    94   0.00000  1.0 1.0
   82    81    85    97   0.00000  1.0 1.0
   85    94   104   105   0.15000  1.0 3.0
   85    94   104   106   0.15000  1.0 3.0
   85    94   104   110  -1.59250  1.0 1.0
   85    94   104   110  -0.41250 -1.0 2.0
   85    94   104   110   0.24650  1.0 3.0
   86    85    94    95   0.15000  1.0 3.0
   86    85    94    96   0.15000  1.0 3.0
   86    85    94   104   0.15000  1.0 3.0
   86    85    97    98   0.13050  1.0 3.0
   86    85    97    99   0.13050  1.0 3.0
   86    85    97   100   0.13050  1.0 3.0
   94    85    97    98   0.17350  1.0 3.0
   94    85    97    99   0.17350  1.0 3.0
   94    85    97   100   0.17350  1.0 3.0
   94   104   110   111   0.27300 -1.0 2.0
   94   104   110   112   0.27300 -1.0 2.0
   95    94   104   105   0.15000  1.0 3.0
   95    94   104   106   0.15000  1.0 3.0
   95    94   104   110  -0.11250  1.0 3.0
   96    94   104   105   0.15000  1.0 3.0
   96    94   104   106   0.15000  1.0 3.0
   96    94   104   110  -0.11250  1.0 3.0
  105   104   110   111   0.00000  1.0 1.0
  105   104   110   112   0.00000  1.0 1.0
  106   104   110   111   0.00000  1.0 1.0
  106   104   110   112   0.00000  1.0 1.0
   97    85    94    95   0.23200  1.0 3.0
   97    85    94    96   0.23200  1.0 3.0
   97    85    94   104   1.79450  1.0 1.0
   97    85    94   104   1.06000 -1.0 2.0
   97    85    94   104  -0.53000  1.0 3.0
   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    78   1.11900  1.0 1.0
   73    69    71    78  -1.16350 -1.0 2.0
   73    69    71    78  -0.34150  1.0 3.0
   73    79    83    84   0.00000  1.0 1.0
   73    79    83    87   0.36750  1.0 3.0
   73    79    83    90   0.40000  1.0 3.0
   79    83    87    88  -0.03800  1.0 3.0
   79    83    87    89  -0.03800  1.0 3.0
   79    83    87   101  -0.76350  1.0 1.0
   79    83    87   101   1.70300 -1.0 2.0
   79    83    90    91   0.17350  1.0 3.0
   79    83    90    92   0.17350  1.0 3.0
   79    83    90    93   0.17350  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    87   0.00000  1.0 1.0
   80    79    83    90   0.00000  1.0 1.0
   83    87   101   102   0.15000  1.0 3.0
   83    87   101   103   0.15000  1.0 3.0
   83    87   101   107  -1.59250  1.0 1.0
   83    87   101   107  -0.41250 -1.0 2.0
   83    87   101   107   0.24650  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87   101   0.15000  1.0 3.0
   84    83    90    91   0.13050  1.0 3.0
   84    83    90    92   0.13050  1.0 3.0
   84    83    90    93   0.13050  1.0 3.0
   87    83    90    91   0.17350  1.0 3.0
   87    83    90    92   0.17350  1.0 3.0
   87    83    90    93   0.17350  1.0 3.0
   87   101   107   108   0.27300 -1.0 2.0
   87   101   107   109   0.27300 -1.0 2.0
   88    87   101   102   0.15000  1.0 3.0
   88    87   101   103   0.15000  1.0 3.0
   88    87   101   107  -0.11250  1.0 3.0
   89    87   101   102   0.15000  1.0 3.0
   89    87   101   103   0.15000  1.0 3.0
   89    87   101   107  -0.11250  1.0 3.0
  102   101   107   108   0.00000  1.0 1.0
  102   101   107   109   0.00000  1.0 1.0
  103   101   107   108   0.00000  1.0 1.0
  103   101   107   109   0.00000  1.0 1.0
   90    83    87    88   0.23200  1.0 3.0
   90    83    87    89   0.23200  1.0 3.0
   90    83    87   101   1.79450  1.0 1.0
   90    83    87   101   1.06000 -1.0 2.0
   90    83    87   101  -0.53000  1.0 3.0
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
   53    48    52    54  10.50000 -1.0 2.0
   51    61    47    40   4.00000 -1.0 2.0
   55    67    51    47   4.00000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   61    62    58    56   4.00000 -1.0 2.0
   64    58    62    63   1.00000 -1.0 2.0
   65    60    59    57  10.50000 -1.0 2.0
   68    51    67    65   1.00000 -1.0 2.0
   78    85    81    82  10.50000 -1.0 2.0
  111   104   110   112  10.50000 -1.0 2.0
   73    83    79    80  10.50000 -1.0 2.0
  108   101   107   109  10.50000 -1.0 2.0
END
