* LIGAND DATABASE FILE (OPLS2005)
*
001     104   106    192    290     560
    1     0 S   NP   _N1_     1    28.74695    95.69676   -22.84451
    2     1 S   H    _HN1     2     1.02947    80.26495    -0.24549
    3     1 S   H    _H1_     3     1.02831    32.90454   144.56513
    4     1 S   H    _H2_     4     1.02791    99.58791  -107.32788
    5     1 S   CT   _CA1     5     1.50108   139.95399   110.11492
    6     5 S   HC   _HA1     6     1.09578   105.23267    78.66645
    7     5 S   CO3  _C1_     7     1.53872   112.11045   -41.51834
    8     7 S   O2Z  _O11     8     1.26368   115.06831   -51.16168
    9     7 S   O2Z  _O12     9     1.26222   114.94653   127.70749
   10     5 S   CT   _CB1    10     1.53090   107.36232  -163.54032
   11    10 S   HC   HB11    11     1.09830   109.61054   -50.09691
   12    10 S   HC   HB12    12     1.09808   110.39216    66.55458
   13    10 S   CT   _CG1    13     1.52949   112.42214  -171.01585
   14    13 S   HC   HG11    14     1.09472   110.31276   -62.13984
   15    13 S   HC   HG12    15     1.09638   109.92443    57.09275
   16    13 S   C    _CD1    16     1.51732   112.24756   178.12143
   17    16 S   O    _OE1    17     1.22755   123.16293     7.97324
   18    16 S   N    _N2_    18     1.38697   111.86008  -172.63036
   19    18 S   H    _HN2    19     1.01584   119.04485     3.41679
   20    18 S   CT1  _CA2    20     1.46326   123.21082  -178.63901
   21    20 S   HC   _HA2    21     1.09743   109.07149     7.72273
   22    20 S   C    _C2_    22     1.53563   109.22169  -108.08180
   23    22 S   O    _O2_    23     1.23088   122.18198  -148.71330
   24    20 S   CT   _CB2    32     1.53704   111.77105   129.17241
   25    24 S   HC   HB21    33     1.09297   109.36841    63.68525
   26    24 S   HC   HB22    34     1.09412   109.30480  -177.95512
   27    22 S   N    _N3_    24     1.38299   113.92297    38.67733
   28    27 S   H    _HN3    25     1.01557   119.63849    -3.16644
   29    24 S   S    _SG2    35     1.82865   110.92730   -58.00585
   30    27 S   CT   _CA3    26     1.45283   123.14888   177.14008
   31    30 S   HC   HA31    27     1.09551   107.50641   -64.42213
   32    30 S   HC   HA32    28     1.09559   107.97547    51.99400
   33    29 S   CT   _C16    36     1.91227   102.99320   171.09045
   34    30 S   CO3  _C3_    29     1.52948   114.14490   173.99714
   35    34 S   O2Z  _O31    30     1.26367   116.09531    -0.73675
   36    34 S   O2Z  _O32    31     1.26438   114.39509   179.32218
   37    33 S   CT   _C15    37     1.55993   102.18708   178.57976
   38    37 S   HC   _H22    38     1.09555   109.65115    69.59570
   39    37 S   HC   _H23    39     1.10098   109.45448   -42.52459
   40    33 S   CT   _C17    57     1.57975   108.86891   -62.18445
   41    40 S   HC   _H4_    58     1.10461   104.41827    76.42317
   42    33 S   CT   _C30   101     1.59138   109.13662    57.10326
   43    42 S   OM   _O42   102     1.32569   110.83389    65.40920
   44    42 S   HC   _H33   103     1.10138   105.89783   -62.69554
   45    42 S   HC   _H34   104     1.09630   106.32119  -166.60824
   46    37 S   CT   _C14    40     1.53813   120.62762  -164.20386
   47    46 S   HC   _H3_    41     1.09741   110.26614    85.65318
   48    46 S   CT   _C23    42     1.52888   115.70174   -37.72960
   49    48 S   HC   _H8_    43     1.09354   109.80594    78.90778
   50    46 S   OS   _O37    73     1.45685   106.18000  -156.98089
   51    48 S   CM   _C24    44     1.49527   116.48481  -161.85786
   52    50 S   CO4  _C13    74     1.35756   118.92473   -81.78199
   53    52 S   O    _O36    75     1.22142   126.51139    -0.96185
   54    51 S   CO4  _C26    45     1.47193   108.63488   143.27256
   55    54 S   O    _O38    46     1.21719   127.29198   172.06741
   56    51 S   CM   _C25    70     1.33622   129.81545   -36.92410
   57    56 S   HC   _H25    71     1.08475   121.05918    -0.28186
   58    56 S   HC   _H26    72     1.08520   121.69586   179.88986
   59    52 S   CM   _C10    76     1.49339   108.83864   178.46813
   60    54 S   OS   _O39    47     1.35888   106.81306    -6.45725
   61    59 S   CM   _C11    77     1.34584   115.71610  -150.60067
   62    61 S   HC   _H18    78     1.08950   119.23719     1.12987
   63    59 S   CT   _C9_    83     1.50303   117.93925    32.11424
   64    63 S   HC   _H16    84     1.09368   112.44447   162.31829
   65    63 S   HC   _H17    85     1.09715   109.32623    43.22561
   66    48 S   CT   _C22    48     1.52133   113.60421   -44.20241
   67    66 S   HC   _H7_    49     1.09645   112.52770   -34.76269
   68    61 S   CT   _C12    79     1.49530   127.11743   179.65850
   69    68 S   HC   _H19    80     1.09491   109.42284  -128.18165
   70    68 S   HC   _H20    81     1.09419   109.85173   113.30621
   71    68 S   HC   _H21    82     1.09194   113.59741    -8.37548
   72    63 S   OS   _O35    86     1.43647   108.74017   -77.47276
   73    66 S   CT   _C21    50     1.53933   112.69092    91.46140
   74    73 S   HC   _H6_    51     1.09854   109.36636    56.63109
   75    72 S   CO4  _C8_    87     1.35914   116.11110   163.49129
   76    75 S   O    _O34    88     1.22287   125.52718     3.49474
   77    73 S   CM   _C20    52     1.51975   111.44031   175.96478
   78    75 S   CM   _C6_    89     1.49685   109.79689  -175.67093
   79    77 S   CM   _C19    53     1.33739   111.88851   106.34164
   80    79 S   HC   _H24    54     1.08116   124.74065  -179.46551
   81    77 S   CT   _C27    66     1.48898   122.82842   -75.43948
   82    81 S   HC   _H27    67     1.09443   110.36507   -49.28656
   83    81 S   HC   _H28    68     1.09535   111.36238  -168.59530
   84    81 S   HC   _H29    69     1.09242   111.34019    71.54967
   85    78 S   CM   _C5_    90     1.34718   115.52652   164.83175
   86    85 S   HC   _H12    91     1.08961   119.30216     0.03956
   87    78 S   CT   _C7_    96     1.50121   118.71143   -13.85355
   88    87 S   HC   _H13    97     1.09188   113.14766   170.97215
   89    87 S   HC   _H14    98     1.09513   110.94116    51.12632
   90    79 S   CT   _C18    55     1.49358   112.10988     2.01217
   91    90 S   HC   _H5_    56     1.09594   109.97669   133.01541
   92    85 S   CT   _C4_    92     1.49543   127.80014   179.98022
   93    92 S   HC   _H9_    93     1.09476   109.45274  -123.16436
   94    92 S   HC   _H10    94     1.09421   109.63120   118.56834
   95    92 S   HC   _H11    95     1.09102   114.02628    -2.68817
   96    87 S   OH   _O33    99     1.42209   109.05420   -68.85120
   97    96 S   HO   _H15   100     0.97224   107.09501   178.46724
   98    90 S   OS   _O40    59     1.42875   109.30638  -104.36975
   99    98 S   CO4  _C28    60     1.36394   116.28433   -91.05607
  100    99 S   O    _O41    61     1.22374   126.22709     4.42815
  101    99 S   CT   _C29    62     1.49796   109.93418  -177.03786
  102   101 S   HC   _H30    63     1.09155   109.63063   -83.94640
  103   101 S   HC   _H31    64     1.09354   109.22537   155.88599
  104   101 S   HC   _H32    65     1.09367   110.31509    37.70996
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  18   7   6  20   9   6   2   1   1  14   6  15
   8   7   9   9   3   8   3   4   1   1  11   5   9   5   7   3
   2   7   3   3   2   1   1   5  11   4   9   3   9  11   9   4
   4   2   1   1   9   5   5   3   2   5   2   3   2   1   1   1
   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    73    90    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    66    73    74    77    79    90    91    40    41    98    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    51    66    73    90    40    41    50    52    42    43    44    45  
   39    46    47    48    40    50    42  
   46    47    48    40    50    42  
   41    98    99    81    42    43    44    45    46    48    60    66    67    73    74    77    79    80    90    91  
   98    42    66    73    74    77    79    90    91  
   43    44    45    46    73    90  
   44    45  
   45  
    0  
   47    48    49    51    54    60    66    67    73    56    50    52    53    59  
   48    49    51    66    50    52  
   49    51    54    55    60    66    67    73    74    77    56    57    58    50    52  
   51    54    60    66    67    73    56    50  
   52    53    59    61    63    51    66  
   54    55    60    66    67    73    56    57    58  
   53    59    61    62    68    63    64    65    72  
   59    61    63  
   55    60    66    67    73    56    57    58  
   60    66    56  
   57    58    60    66  
   58  
    0  
   61    62    68    69    70    71    63    64    65    72    75  
   66    67    73    74    77  
   62    68    69    70    71    63    64    65    72  
   68    69    70    71    63  
   64    65    72    75    76    78    68  
   65    72    75  
   72    75  
   67    73    74    77    79    90    81  
   73    74    77  
   69    70    71  
   70    71  
   71  
    0  
   75    76    78    85    87  
   74    77    79    80    90    91    98    81    82    83    84  
   77    79    90    81  
   76    78    85    86    92    87    88    89    96  
   78    85    87  
   79    80    90    91    98    81    82    83    84  
   85    86    92    93    94    95    87    88    89    96    97  
   80    90    91    98    99    81    82    83    84  
   90    91    98    81  
   82    83    84    90  
   83    84  
   84  
    0  
   86    92    93    94    95    87    88    89    96  
   92    93    94    95    87  
   88    89    96    97    92  
   89    96    97  
   96    97  
   91    98    99   100   101  
   98    99  
   93    94    95  
   94    95  
   95  
    0  
   97  
    0  
   99   100   101   102   103   104  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    66   268.000  1.529
   51    54   320.000  1.462
   51    56   549.000  1.340
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    77   317.000  1.510
   73    40   268.000  1.529
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    90   317.000  1.510
   90    91   340.000  1.090
   90    40   268.000  1.529
   90    98   320.000  1.410
   40    41   340.000  1.090
   98    99   214.000  1.327
   99   100   570.000  1.229
   99   101   317.000  1.522
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   56    57   340.000  1.080
   56    58   340.000  1.080
   50    52   214.000  1.327
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    61   549.000  1.340
   59    63   317.000  1.510
   61    62   340.000  1.080
   61    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    78   320.000  1.462
   78    85   549.000  1.340
   78    87   317.000  1.510
   85    86   340.000  1.080
   85    92   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    96   320.000  1.410
   96    97   553.000  0.945
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    51    70.00000  112.02700
   46    48    66    58.35000  112.70000
   46    50    52    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    51    54    65.00000  116.34900
   48    51    56    70.00000  124.00000
   48    66    60    50.00000  109.50000
   48    66    67    37.50000  110.70000
   48    66    73    58.35000  112.70000
   51    48    49    35.00000  109.50000
   51    54    55    80.00000  123.72100
   51    54    60    90.00000  111.29400
   51    56    57    35.00000  120.00000
   51    56    58    35.00000  120.00000
   54    60    66    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    66    67    35.00000  109.50000
   60    66    73    50.00000  109.50000
   66    48    49    37.50000  110.70000
   66    48    51    70.00000  112.02700
   66    73    74    37.50000  110.70000
   66    73    77    70.00000  112.02700
   66    73    40    58.35000  112.70000
   73    66    67    37.50000  110.70000
   73    77    79    70.00000  124.00000
   73    77    81    65.00000  117.92700
   73    40    90    58.35000  112.70000
   73    40    41    37.50000  110.70000
   77    73    74    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    90    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    90    91    35.00000  109.50000
   79    90    40    70.00000  112.02700
   79    90    98    85.00000  110.90400
   90    79    80    35.00000  117.00000
   90    40    41    37.50000  110.70000
   90    98    99    83.00000  116.90000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    77    70.00000  112.02700
   40    90    91    37.50000  110.70000
   98    90    91    35.00000  109.50000
   98    90    40    50.00000  109.50000
   98    99   100    83.00000  123.40000
   98    99   101    81.00000  111.40000
   99   101   102    35.00000  109.50000
   99   101   103    35.00000  109.50000
   99   101   104    35.00000  109.50000
  101    99   100    80.00000  120.40000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   56    51    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   50    52    53    83.00000  123.40000
   50    52    59    90.00000  111.29400
   52    59    61    65.00000  118.96000
   52    59    63    65.00000  116.34900
   59    52    53    80.00000  123.72100
   59    61    62    35.00000  120.00000
   59    61    68    70.00000  124.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    72    85.00000  110.90400
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   68    61    62    35.00000  117.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    59    61    70.00000  124.00000
   63    72    75    83.00000  116.90000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    78    90.00000  111.29400
   75    78    85    65.00000  118.96000
   75    78    87    65.00000  116.34900
   78    75    76    80.00000  123.72100
   78    85    86    35.00000  120.00000
   78    85    92    70.00000  124.00000
   78    87    88    35.00000  109.50000
   78    87    89    35.00000  109.50000
   78    87    96    90.00000  110.39200
   85    92    93    35.00000  109.50000
   85    92    94    35.00000  109.50000
   85    92    95    35.00000  109.50000
   92    85    86    35.00000  117.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   87    78    85    70.00000  124.00000
   87    96    97    55.00000  108.50000
   89    87    88    33.00000  107.80000
   96    87    88    35.00000  109.50000
   96    87    89    35.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    90   0.44750  1.0 1.0
   29    33    40    90  -0.17800 -1.0 2.0
   29    33    40    90   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    50   0.62750  1.0 1.0
   33    37    46    50  -0.30950 -1.0 2.0
   33    37    46    50   0.27300  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    90   0.56750  1.0 1.0
   37    33    40    90  -0.07550 -1.0 2.0
   37    33    40    90   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.62750  1.0 1.0
   37    33    42    43  -0.30950 -1.0 2.0
   37    33    42    43   0.27300  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    51   0.34400  1.0 1.0
   37    46    48    51   0.09450 -1.0 2.0
   37    46    48    51   0.11100  1.0 3.0
   37    46    48    66   0.56750  1.0 1.0
   37    46    48    66  -0.07550 -1.0 2.0
   37    46    48    66   0.20000  1.0 3.0
   37    46    50    52  -0.25900  1.0 1.0
   37    46    50    52  -0.47000 -1.0 2.0
   37    46    50    52   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    50   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    50   0.23400  1.0 3.0
   46    48    51    54   0.09700  1.0 1.0
   46    48    51    54   0.15600 -1.0 2.0
   46    48    51    54  -0.50800  1.0 3.0
   46    48    51    56   0.09850  1.0 1.0
   46    48    51    56   0.15250 -1.0 2.0
   46    48    51    56  -0.50650  1.0 3.0
   46    48    66    60   0.62750  1.0 1.0
   46    48    66    60  -0.30950 -1.0 2.0
   46    48    66    60   0.27300  1.0 3.0
   46    48    66    67   0.15000  1.0 3.0
   46    48    66    73   0.56750  1.0 1.0
   46    48    66    73  -0.07550 -1.0 2.0
   46    48    66    73   0.20000  1.0 3.0
   46    50    52    53   3.00000 -1.0 2.0
   46    50    52    59   2.00000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    66   0.15000  1.0 3.0
   47    46    50    52   0.08050  1.0 3.0
   48    46    50    52  -0.25900  1.0 1.0
   48    46    50    52  -0.47000 -1.0 2.0
   48    46    50    52   0.11750  1.0 3.0
   48    51    54    55  -0.64400  1.0 1.0
   48    51    54    55   0.26850 -1.0 2.0
   48    51   -54    60  -0.15000  1.0 1.0
   48    51   -54    60   0.89550 -1.0 2.0
   48    51   -54    60  -0.06900  1.0 3.0
   48    51    56    57   7.00000 -1.0 2.0
   48    51    56    58   7.00000 -1.0 2.0
   48    66    73    74   0.15000  1.0 3.0
   48    66    73    77   0.34400  1.0 1.0
   48    66    73    77   0.09450 -1.0 2.0
   48    66    73    77   0.11100  1.0 3.0
   48    66    73    40   0.56750  1.0 1.0
   48    66    73    40  -0.07550 -1.0 2.0
   48    66    73    40   0.20000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   49    48    51    56   0.00000  1.0 1.0
   49    48    66    60   0.23400  1.0 3.0
   49    48    66    67   0.15000  1.0 3.0
   49    48    66    73   0.15000  1.0 3.0
   51    48   -66    60   0.61850  1.0 1.0
   51    48   -66    60  -0.22750 -1.0 2.0
   51    48   -66    60   0.15300  1.0 3.0
   51    48    66    67   0.15000  1.0 3.0
   51    48    66    73   0.34400  1.0 1.0
   51    48    66    73   0.09450 -1.0 2.0
   51    48    66    73   0.11100  1.0 3.0
   51    54   -60    66   2.00000 -1.0 2.0
   54    51    56    57   7.00000 -1.0 2.0
   54    51    56    58   7.00000 -1.0 2.0
   54    60   -66    48  -0.25900  1.0 1.0
   54    60   -66    48  -0.47000 -1.0 2.0
   54    60   -66    48   0.11750  1.0 3.0
   54    60    66    67   0.08050  1.0 3.0
   54    60    66    73  -0.25900  1.0 1.0
   54    60    66    73  -0.47000 -1.0 2.0
   54    60    66    73   0.11750  1.0 3.0
   55    54    60    66   3.00000 -1.0 2.0
   60    66    73    74   0.23400  1.0 3.0
   60    66    73    77   0.61850  1.0 1.0
   60    66    73    77  -0.22750 -1.0 2.0
   60    66    73    77   0.15300  1.0 3.0
   60    66    73    40   0.62750  1.0 1.0
   60    66    73    40  -0.30950 -1.0 2.0
   60    66    73    40   0.27300  1.0 3.0
   66    48   -51    54   0.09700  1.0 1.0
   66    48   -51    54   0.15600 -1.0 2.0
   66    48   -51    54  -0.50800  1.0 3.0
   66    48    51    56   0.09850  1.0 1.0
   66    48    51    56   0.15250 -1.0 2.0
   66    48    51    56  -0.50650  1.0 3.0
   66    73    77    79   0.09850  1.0 1.0
   66    73    77    79   0.15250 -1.0 2.0
   66    73    77    79  -0.50650  1.0 3.0
   66    73    77    81   0.46850  1.0 1.0
   66    73    77    81   0.08550 -1.0 2.0
   66    73    77    81   0.09800  1.0 3.0
   66    73    40    33   0.56750  1.0 1.0
   66    73    40    33  -0.07550 -1.0 2.0
   66    73    40    33   0.20000  1.0 3.0
   66    73    40    90   0.56750  1.0 1.0
   66    73    40    90  -0.07550 -1.0 2.0
   66    73    40    90   0.20000  1.0 3.0
   66    73    40    41   0.15000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    77   0.15000  1.0 3.0
   67    66    73    40   0.15000  1.0 3.0
   73    77    79    80   7.00000 -1.0 2.0
   73    77   -79    90   7.00000 -1.0 2.0
   73    77    81    82   0.34800  1.0 3.0
   73    77    81    83   0.34800  1.0 3.0
   73    77    81    84   0.34800  1.0 3.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    81   0.34800  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    90   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   77    73    40    33   0.34400  1.0 1.0
   77    73    40    33   0.09450 -1.0 2.0
   77    73    40    33   0.11100  1.0 3.0
   77    73   -40    90   0.34400  1.0 1.0
   77    73   -40    90   0.09450 -1.0 2.0
   77    73   -40    90   0.11100  1.0 3.0
   77    73    40    41   0.15000  1.0 3.0
   77    79    90    91   0.00000  1.0 1.0
   77    79   -90    40   0.09850  1.0 1.0
   77    79   -90    40   0.15250 -1.0 2.0
   77    79   -90    40  -0.50650  1.0 3.0
   77    79    90    98   0.39000  1.0 1.0
   77    79    90    98  -0.05800 -1.0 2.0
   77    79    90    98  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    90    40    33   0.34400  1.0 1.0
   79    90    40    33   0.09450 -1.0 2.0
   79    90    40    33   0.11100  1.0 3.0
   79    90   -40    73   0.34400  1.0 1.0
   79    90   -40    73   0.09450 -1.0 2.0
   79    90   -40    73   0.11100  1.0 3.0
   79    90    40    41   0.15000  1.0 3.0
   79    90    98    99  -0.82050  1.0 1.0
   79    90    98    99   0.00600 -1.0 2.0
   79    90    98    99   0.04400  1.0 3.0
   80    79    90    91   0.33100  1.0 3.0
   80    79    90    40   0.00000  1.0 1.0
   80    79    90    98   0.00000  1.0 1.0
   90    98    99   100   3.00000 -1.0 2.0
   90    98    99   101   1.63150  1.0 1.0
   90    98    99   101   2.92000 -1.0 2.0
   91    90    40    33   0.15000  1.0 3.0
   91    90    40    73   0.15000  1.0 3.0
   91    90    40    41   0.15000  1.0 3.0
   91    90    98    99   0.08050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.62750  1.0 1.0
   40    33    42    43  -0.30950 -1.0 2.0
   40    33    42    43   0.27300  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    73   -77    79   0.09850  1.0 1.0
   40    73   -77    79   0.15250 -1.0 2.0
   40    73   -77    79  -0.50650  1.0 3.0
   40    73    77    81   0.46850  1.0 1.0
   40    73    77    81   0.08550 -1.0 2.0
   40    73    77    81   0.09800  1.0 3.0
   40    90    98    99  -0.25900  1.0 1.0
   40    90    98    99  -0.47000 -1.0 2.0
   40    90    98    99   0.11750  1.0 3.0
   98    90    40    33   0.62750  1.0 1.0
   98    90    40    33  -0.30950 -1.0 2.0
   98    90    40    33   0.27300  1.0 3.0
   98    90    40    73   0.62750  1.0 1.0
   98    90    40    73  -0.30950 -1.0 2.0
   98    90    40    73   0.27300  1.0 3.0
   98    90    40    41   0.23400  1.0 3.0
   98    99   101   102   0.00000  1.0 1.0
   98    99   101   103   0.00000  1.0 1.0
   98    99   101   104   0.00000  1.0 1.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.00000  1.0 1.0
  100    99   101   104   0.00000  1.0 1.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    90   7.00000 -1.0 2.0
   56    51    54    55   1.00000 -1.0 2.0
   56    51    54    60  -0.56150  1.0 1.0
   56    51    54    60   2.19150 -1.0 2.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    51   0.61850  1.0 1.0
   50    46    48    51  -0.22750 -1.0 2.0
   50    46    48    51   0.15300  1.0 3.0
   50    46    48    66   0.62750  1.0 1.0
   50    46    48    66  -0.30950 -1.0 2.0
   50    46    48    66   0.27300  1.0 3.0
   50    52    59    61  -0.56150  1.0 1.0
   50    52    59    61   2.19150 -1.0 2.0
   50    52    59    63  -0.15000  1.0 1.0
   50    52    59    63   0.89550 -1.0 2.0
   50    52    59    63  -0.06900  1.0 3.0
   52    59    61    62   7.00000 -1.0 2.0
   52    59    61    68   7.00000 -1.0 2.0
   52    59    63    64   0.15000  1.0 3.0
   52    59    63    65   0.15000  1.0 3.0
   52    59    63    72   0.09700  1.0 1.0
   52    59    63    72   0.15600 -1.0 2.0
   52    59    63    72  -0.50800  1.0 3.0
   53    52    59    61   1.00000 -1.0 2.0
   53    52    59    63  -0.64400  1.0 1.0
   53    52    59    63   0.26850 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    63    72    75  -0.82050  1.0 1.0
   59    63    72    75   0.00600 -1.0 2.0
   59    63    72    75   0.04400  1.0 3.0
   61    59    63    64   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   61    59    63    72   0.39000  1.0 1.0
   61    59    63    72  -0.05800 -1.0 2.0
   61    59    63    72  -0.55150  1.0 3.0
   62    61    68    69   0.33100  1.0 3.0
   62    61    68    70   0.33100  1.0 3.0
   62    61    68    71   0.33100  1.0 3.0
   63    59    61    62   7.00000 -1.0 2.0
   63    59    61    68   7.00000 -1.0 2.0
   63    72    75    76   3.00000 -1.0 2.0
   63    72    75    78   2.00000 -1.0 2.0
   64    63    72    75   0.08050  1.0 3.0
   65    63    72    75   0.08050  1.0 3.0
   72    75    78    85  -0.56150  1.0 1.0
   72    75    78    85   2.19150 -1.0 2.0
   72    75    78    87  -0.15000  1.0 1.0
   72    75    78    87   0.89550 -1.0 2.0
   72    75    78    87  -0.06900  1.0 3.0
   75    78    85    86   7.00000 -1.0 2.0
   75    78    85    92   7.00000 -1.0 2.0
   75    78    87    88   0.15000  1.0 3.0
   75    78    87    89   0.15000  1.0 3.0
   75    78    87    96   0.09700  1.0 1.0
   75    78    87    96   0.15600 -1.0 2.0
   75    78    87    96  -0.50800  1.0 3.0
   76    75    78    85   1.00000 -1.0 2.0
   76    75    78    87  -0.64400  1.0 1.0
   76    75    78    87   0.26850 -1.0 2.0
   78    85    92    93   0.00000  1.0 1.0
   78    85    92    94   0.00000  1.0 1.0
   78    85    92    95   0.00000  1.0 1.0
   78    87    96    97  -0.07800  1.0 1.0
   78    87    96    97  -0.21500 -1.0 2.0
   78    87    96    97  -0.03150  1.0 3.0
   85    78    87    88   0.00000  1.0 1.0
   85    78    87    89   0.00000  1.0 1.0
   85    78    87    96   0.67800  1.0 1.0
   85    78    87    96   0.47050 -1.0 2.0
   85    78    87    96  -0.62500  1.0 3.0
   86    85    92    93   0.33100  1.0 3.0
   86    85    92    94   0.33100  1.0 3.0
   86    85    92    95   0.33100  1.0 3.0
   87    78    85    86   7.00000 -1.0 2.0
   87    78    85    92   7.00000 -1.0 2.0
   88    87    96    97   0.19450  1.0 3.0
   89    87    96    97   0.19450  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    73   0.56750  1.0 1.0
   42    33    40    73  -0.07550 -1.0 2.0
   42    33    40    73   0.20000  1.0 3.0
   42    33    40    90   0.56750  1.0 1.0
   42    33    40    90  -0.07550 -1.0 2.0
   42    33    40    90   0.20000  1.0 3.0
   42    33    40    41   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   48    54    51    56   1.10000 -1.0 2.0
   51    60    54    55  10.50000 -1.0 2.0
   73    81    77    79   1.10000 -1.0 2.0
   90    80    79    77   1.10000 -1.0 2.0
   98   101    99   100  10.50000 -1.0 2.0
   57    58    56    51   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
   52    63    59    61  15.00000 -1.0 2.0
   68    62    61    59  15.00000 -1.0 2.0
   72    78    75    76  10.50000 -1.0 2.0
   75    87    78    85  15.00000 -1.0 2.0
   92    86    85    78  15.00000 -1.0 2.0
END
