* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    204    305     602
    1     0 S   NP   _N1_     1    30.42606    90.78560   -27.85103
    2     1 S   H    _HN1     2     1.02949   102.98629    11.00704
    3     1 S   H    _H1_     3     1.02833    17.54395   -94.62088
    4     1 S   H    _H2_     4     1.02792   124.67586  -112.55658
    5     1 S   CT   _CA1     5     1.50121    97.24910   123.99919
    6     5 S   HC   _HA1     6     1.09555   105.24878    70.97173
    7     5 S   CO3  _C1_     7     1.53862   112.37942   -49.49697
    8     7 S   O2Z  _O11     8     1.26407   115.03417   -41.72132
    9     7 S   O2Z  _O12     9     1.26226   114.98274   137.54808
   10     5 S   CT   _CB1    10     1.53073   107.44580  -170.76967
   11    10 S   HC   HB11    11     1.09835   109.72163   -46.63583
   12    10 S   HC   HB12    12     1.09786   110.21688    69.90497
   13    10 S   CT   _CG1    13     1.53055   112.63850  -167.41959
   14    13 S   HC   HG11    14     1.09492   110.90971   -59.45453
   15    13 S   HC   HG12    15     1.09661   109.70659    59.64770
   16    13 S   C    _CD1    16     1.51822   112.09494  -179.88465
   17    16 S   O    _OE1    17     1.22757   123.20685     5.38998
   18    16 S   N    _N2_    18     1.38700   111.84486  -174.74022
   19    18 S   H    _HN2    19     1.01582   119.03053     1.41513
   20    18 S   CT1  _CA2    20     1.46162   123.14606   176.73637
   21    20 S   HC   _HA2    21     1.09747   109.21543     2.78811
   22    20 S   C    _C2_    22     1.53581   108.74555  -112.56616
   23    22 S   O    _O2_    23     1.23064   122.22743  -148.76850
   24    20 S   CT   _CB2    32     1.53364   112.15691   124.60479
   25    24 S   HC   HB21    33     1.09580   110.57764    58.44233
   26    24 S   HC   HB22    34     1.09460   109.60899   177.08000
   27    22 S   N    _N3_    24     1.38306   113.75909    38.67978
   28    27 S   H    _HN3    25     1.01578   119.61408    -3.35334
   29    24 S   S    _SG2    35     1.82781   111.80297   -62.10069
   30    27 S   CT   _CA3    26     1.45294   123.23432   177.13454
   31    30 S   HC   HA31    27     1.09549   107.51911   -64.51862
   32    30 S   HC   HA32    28     1.09556   107.98277    51.93057
   33    29 S   CT   _C15    36     1.84292    99.68104  -161.76434
   34    33 S   HC   _H5_    37     1.09677   106.14687   -36.09492
   35    30 S   CO3  _C3_    29     1.52967   114.05145   173.92691
   36    35 S   O2Z  _O31    30     1.26379   116.05253    -0.38461
   37    35 S   O2Z  _O32    31     1.26424   114.42400   179.67374
   38    33 S   CT   _C16    38     1.54379   110.24247  -152.70572
   39    38 S   HC   _H21    39     1.09217   109.65221   -54.57802
   40    38 S   HC   _H22    40     1.09733   108.71879  -170.55850
   41    33 S   CT   _C14    80     1.55812   110.16314    82.04817
   42    41 S   HC   _H4_    81     1.09831   110.37608   -34.63608
   43    38 S   CT   _C17    41     1.53721   114.79518    69.16138
   44    43 S   HC   _H23    42     1.09502   111.05836   -57.02556
   45    43 S   HC   _H24    43     1.09685   108.16483    58.08196
   46    41 S   CT   _C30    82     1.53554   109.74757  -150.86428
   47    46 S   HC   _H42    83     1.09503   111.75419   -62.17365
   48    46 S   HC   _H43    84     1.09574   110.79728   177.90146
   49    46 S   HC   _H44    85     1.09515   110.81311    58.55972
   50    43 S   CT   _C18    44     1.54791   111.72920   179.81025
   51    50 S   HC   _H6_    45     1.09791   111.43791   -20.91120
   52    50 S   CT   _C19    46     1.55209   114.11559   103.11642
   53    52 S   HC   _H7_    47     1.09790   108.01957    73.53364
   54    50 S   OS   _O38   107     1.44395   108.06955  -139.55958
   55    52 S   CM   _C20    48     1.52051   115.91258   -51.14229
   56    52 S   OH   _O37   105     1.43429   107.91916  -173.00190
   57    56 S   HO   _H38   106     0.97272   107.29581  -177.27207
   58    54 S   CT   _C29   108     1.42252   112.88634    86.63300
   59    58 S   HC   _H39   109     1.09328   108.23175  -177.15229
   60    58 S   HC   _H40   110     1.09422   110.19633    64.41950
   61    58 S   HC   _H41   111     1.09356   111.27211   -57.91117
   62    55 S   CM   _C21    49     1.35006   119.20674   114.25069
   63    62 S   HC   _H25    50     1.09074   117.30852     2.03548
   64    55 S   CT   _C28   101     1.50637   116.29307   -67.44357
   65    64 S   HC   _H35   102     1.09504   109.79695   -77.06660
   66    64 S   HC   _H36   103     1.09148   113.17812   162.26340
   67    64 S   HC   _H37   104     1.09323   111.55614    41.97912
   68    62 S   CT   _C22    51     1.51755   128.46407  -175.76955
   69    68 S   HC   _H8_    52     1.09357   108.28386    26.26364
   70    68 S   CT   _C23    53     1.55070   112.45952   -95.21340
   71    70 S   HC   _H9_    54     1.09691   108.05852   -58.00120
   72    68 S   CT   _C27    97     1.53479   107.60062   141.98677
   73    72 S   HC   _H32    98     1.09575   111.15193    69.69701
   74    72 S   HC   _H33    99     1.09344   111.28705   -49.94818
   75    72 S   HC   _H34   100     1.09251   111.93102  -169.65892
   76    70 S   CT   _C24    55     1.55596   114.89996  -178.26145
   77    76 S   HC   _H10    56     1.09861   107.42210    71.13334
   78    70 S   OH   _O36    95     1.42973   111.10865    56.35945
   79    78 S   HO   _H31    96     0.96844   108.99891    42.35608
   80    76 S   CT   _C25    57     1.54791   117.11834   -46.39314
   81    80 S   HC   _H26    58     1.09926   107.56351  -178.95676
   82    80 S   HC   _H27    59     1.09618   107.89148    67.40424
   83    76 S   OS   _O35    90     1.43511   112.04119  -171.71878
   84    80 S   CT   _C5_    60     1.54357   119.36453   -56.11442
   85    84 S   HC   _H3_    61     1.09216   108.65580    53.75891
   86    83 S   CT   _C26    91     1.42084   114.07637   -69.84643
   87    86 S   HC   _H28    92     1.09354   108.05237  -172.81799
   88    86 S   HC   _H29    93     1.09289   110.98676    68.96102
   89    86 S   HC   _H30    94     1.09409   110.92413   -54.14446
   90    84 S   CT   _C6_    62     1.55339   109.69323   171.83345
   91    90 S   HC   _H14    63     1.09762   111.16973   116.40711
   92    90 S   HC   _H15    64     1.09776   111.54642    -0.48939
   93    84 S   CT   _C4_    86     1.52962   112.80366   -65.03930
   94    93 S   HC   _H11    87     1.09504   111.29341   -55.14495
   95    93 S   HC   _H12    88     1.09557   110.68940  -175.27101
   96    93 S   HC   _H13    89     1.09331   111.46549    65.91541
   97    90 S   CA   _C7_    65     1.51212   111.45202  -121.34053
   98    97 S   CA   _C8_    66     1.40556   120.37527    79.66725
   99    98 S   HA   _H16    67     1.08904   118.87934     1.93087
  100    98 S   CA   _C9_    68     1.40482   121.26708  -176.15855
  101   100 S   CA   _C10    69     1.39699   118.86282    -1.33002
  102   101 S   HA   _H17    70     1.08329   121.80086  -179.21341
  103   100 S   N    _N4_    76     1.41543   116.89544   177.35484
  104   103 S   H    _H20    77     1.01772   115.43616     3.05191
  105   101 S   CA   _C11    71     1.39694   119.79645     0.70388
  106   103 S   C    _C13    78     1.38964   127.59576  -172.38800
  107   106 S   O    _O34    79     1.22849   126.28770    -3.71341
  108    97 S   CA   _C12    72     1.39692   120.46699   -97.40962
  109   108 S   HA   _H18    73     1.08689   120.46279    -2.31562
  110   105 S   OH   _O33    74     1.36792   120.85068   179.77883
  111   110 S   HO   _H19    75     0.97245   108.63875     0.26020
  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  10   5   4   3
  17   8   2   1   1  13   6   5  11   7  10   5   4   6   3   2
   1  13   6  13   6   6  12   3   1   3   2   1   1  15   5   4
   2   1   1  13   8  15   7   5   2   1   1  15   7   3   1  14
   6   5   5  11   8   3   2   1   1  13   5   4   4   2   1   1
   9  10   4   9   9   4   4   2   4   1   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43   106    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50   103   106   107    41    42    46    47    48    49  
   38    39    40    43   106    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52   106    41    42    46    54  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43   100   103   104   106   107  
   46    47    48    49   103   106   107  
   44    45    50    51    52    53    55    56    54    58  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49   103   106   107  
   48    49   106  
   49   106  
  106  
   51    52    53    55    62    64    56    57    54    58    59    60    61  
   52    53    55    56    54    58  
   53    55    62    63    68    64    65    66    67    56    57    54    58  
   55    62    64    56    57    54  
   58    59    60    61    55    56  
   62    63    68    69    70    72    64    65    66    67    56    57  
   57    62    64  
    0  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    70    71    76    78    72    73    74    75    64    65    66    67  
   68    69    70    72    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    76    77    80    83    78    79    72    73    74    75  
   70    71    76    78    72    73    74    75  
   71    76    77    80    81    82    84    83    86    78    79    72    73    74    75  
   76    77    80    83    78    79    72  
   73    74    75    76    78  
   74    75  
   75  
    0  
   77    80    81    82    84    85    90    93    83    86    87    88    89    78    79  
   80    81    82    84    83    86    78  
   79    80    83  
    0  
   81    82    84    85    90    91    92    97    93    94    95    96    83    86  
   82    84    85    90    93    83  
   84    85    90    93    83  
   86    87    88    89    84  
   85    90    91    92    97    98   108    93    94    95    96  
   90    91    92    97    93    94    95    96  
   87    88    89  
   88    89  
   89  
    0  
   91    92    97    98    99   100   105   108   109    93    94    95    96  
   92    97    98   108    93  
   97    98   108    93  
   94    95    96    97  
   95    96  
   96  
    0  
   98    99   100   101   105   108   109   110   103  
   99   100   101   102   105   108   109   103   104   106  
  100   101   108   103  
  101   102   105   108   110   103   104   106   107  
  102   105   108   109   110   111   103   104   106  
  105   108   110   103  
  104   106   107   105  
  106   107  
  108   109   110   111  
  107  
    0  
  109   110   111  
  110  
  111  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
  104   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  110   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    56   320.000  1.410
   55    62   549.000  1.340
   55    64   317.000  1.510
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   268.000  1.529
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   320.000  1.410
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    93   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    97   317.000  1.510
   97    98   469.000  1.400
   97   108   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   469.000  1.400
  100   103   360.000  1.404
  101   102   367.000  1.080
  101   105   469.000  1.400
  105   108   469.000  1.400
  105   110   450.000  1.364
  108   109   367.000  1.080
  110   111   553.000  0.945
  103   104   434.000  1.010
  103   106   490.000  1.335
  106   107   570.000  1.229
  106    41   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   56    57   553.000  0.945
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41   106    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    50.00000  109.50000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    56    50.00000  109.50000
   50    54    58    60.00000  109.50000
   52    50    51    37.50000  110.70000
   52    55    62    70.00000  124.00000
   52    55    64    65.00000  117.92700
   52    56    57    55.00000  108.50000
   55    52    53    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    68    70.00000  124.00000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    70.00000  112.02700
   62    68    72    70.00000  112.02700
   68    62    63    35.00000  117.00000
   68    70    71    37.50000  110.70000
   68    70    76    58.35000  112.70000
   68    70    78    50.00000  109.50000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    37.50000  110.70000
   70    68    69    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    80    58.35000  112.70000
   70    76    83    50.00000  109.50000
   70    78    79    55.00000  108.50000
   76    70    71    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   76    83    86    60.00000  109.50000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    90    58.35000  112.70000
   80    84    93    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    97    70.00000  112.17500
   84    93    94    37.50000  110.70000
   84    93    95    37.50000  110.70000
   84    93    96    37.50000  110.70000
   90    84    85    37.50000  110.70000
   90    97    98    70.00000  120.00000
   90    97   108    70.00000  120.00000
   92    90    91    33.00000  107.80000
   97    90    91    35.00000  109.50000
   97    90    92    35.00000  109.50000
   97    98    99    35.00000  120.00000
   97    98   100    63.00000  120.00000
   97   108   105    63.00000  120.00000
   97   108   109    35.00000  120.00000
   98   100   101    63.00000  120.00000
   98   100   103    70.00000  119.01900
  100    98    99    35.00000  120.00000
  100   101   102    35.00000  120.00000
  100   101   105    63.00000  120.00000
  100   103   104    45.00000  118.23600
  100   103   106    65.00000  121.96500
  101   105   108    63.00000  120.00000
  101   105   110    70.00000  120.00000
  105   101   102    35.00000  120.00000
  105   108   109    35.00000  120.00000
  105   110   111    35.00000  113.00000
  108    97    98    63.00000  120.00000
  110   105   108    70.00000  120.00000
  103   100   101    70.00000  119.01900
  103   106   107    80.00000  122.90000
  103   106    41    70.00000  116.60000
  106   103   104    35.00000  119.80000
  106    41    42    35.00000  109.50000
  106    41    46    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41   106   107    80.00000  120.40000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   93    84    85    37.50000  110.70000
   93    84    90    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   83    76    77    35.00000  109.50000
   83    76    80    50.00000  109.50000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    76    50.00000  109.50000
   72    68    69    37.50000  110.70000
   72    68    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   64    55    62    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    55    90.00000  110.39200
   54    50    51    35.00000  109.50000
   54    50    52    50.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41   106   0.56750  1.0 1.0
   29    33    41   106  -0.07550 -1.0 2.0
   29    33    41   106   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41   106  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41   106  -0.95700  1.0 1.0
   38    33    41   106  -0.18200 -1.0 2.0
   38    33    41   106   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.56750  1.0 1.0
   38    43    50    52  -0.07550 -1.0 2.0
   38    43    50    52   0.20000  1.0 3.0
   38    43    50    54   0.62750  1.0 1.0
   38    43    50    54  -0.30950 -1.0 2.0
   38    43    50    54   0.27300  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.34400  1.0 1.0
   43    50    52    55   0.09450 -1.0 2.0
   43    50    52    55   0.11100  1.0 3.0
   43    50    52    56   0.86500  1.0 1.0
   43    50    52    56  -0.17500 -1.0 2.0
   43    50    52    56   0.20800  1.0 3.0
   43    50    54    58   0.06250  1.0 1.0
   43    50    54    58  -0.01100 -1.0 2.0
   43    50    54    58   0.28050  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.23400  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.23400  1.0 3.0
   50    52    55    62   0.09850  1.0 1.0
   50    52    55    62   0.15250 -1.0 2.0
   50    52    55    62  -0.50650  1.0 3.0
   50    52    55    64   0.46850  1.0 1.0
   50    52    55    64   0.08550 -1.0 2.0
   50    52    55    64   0.09800  1.0 3.0
   50    52    56    57  -0.11600  1.0 1.0
   50    52    56    57  -0.09450 -1.0 2.0
   50    52    56    57   0.21250  1.0 3.0
   50    54    58    59   0.37050  1.0 3.0
   50    54    58    60   0.37050  1.0 3.0
   50    54    58    61   0.37050  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    56   0.23400  1.0 3.0
   51    50    54    58   0.37050  1.0 3.0
   52    50    54    58   0.06250  1.0 1.0
   52    50    54    58  -0.01100 -1.0 2.0
   52    50    54    58   0.28050  1.0 3.0
   52    55    62    63   7.00000 -1.0 2.0
   52    55    62    68   7.00000 -1.0 2.0
   52    55    64    65   0.34800  1.0 3.0
   52    55    64    66   0.34800  1.0 3.0
   52    55    64    67   0.34800  1.0 3.0
   53    52    55    62   0.00000  1.0 1.0
   53    52    55    64   0.34800  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   55    52    56    57  -0.07800  1.0 1.0
   55    52    56    57  -0.21500 -1.0 2.0
   55    52    56    57  -0.03150  1.0 3.0
   55    62    68    69   0.00000  1.0 1.0
   55    62    68    70   0.09850  1.0 1.0
   55    62    68    70   0.15250 -1.0 2.0
   55    62    68    70  -0.50650  1.0 3.0
   55    62    68    72   0.09850  1.0 1.0
   55    62    68    72   0.15250 -1.0 2.0
   55    62    68    72  -0.50650  1.0 3.0
   62    55    64    65   0.00000  1.0 1.0
   62    55    64    66   0.00000  1.0 1.0
   62    55    64    67   0.00000  1.0 1.0
   62    68    70    71   0.15000  1.0 3.0
   62    68    70    76   0.34400  1.0 1.0
   62    68    70    76   0.09450 -1.0 2.0
   62    68    70    76   0.11100  1.0 3.0
   62    68    70    78   1.05650  1.0 1.0
   62    68    70    78   0.15600 -1.0 2.0
   62    68    70    78   0.53150  1.0 3.0
   62    68    72    73   0.15000  1.0 3.0
   62    68    72    74   0.15000  1.0 3.0
   62    68    72    75   0.15000  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.00000  1.0 1.0
   63    62    68    72   0.00000  1.0 1.0
   68    70    76    77   0.15000  1.0 3.0
   68    70    76    80   0.56750  1.0 1.0
   68    70    76    80  -0.07550 -1.0 2.0
   68    70    76    80   0.20000  1.0 3.0
   68    70    76    83   0.62750  1.0 1.0
   68    70    76    83  -0.30950 -1.0 2.0
   68    70    76    83   0.27300  1.0 3.0
   68    70    78    79  -0.11600  1.0 1.0
   68    70    78    79  -0.09450 -1.0 2.0
   68    70    78    79   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    76   0.15000  1.0 3.0
   69    68    70    78   0.23400  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.15000  1.0 3.0
   70    76    80    81   0.15000  1.0 3.0
   70    76    80    82   0.15000  1.0 3.0
   70    76    80    84   0.56750  1.0 1.0
   70    76    80    84  -0.07550 -1.0 2.0
   70    76    80    84   0.20000  1.0 3.0
   70    76    83    86   0.06250  1.0 1.0
   70    76    83    86  -0.01100 -1.0 2.0
   70    76    83    86   0.28050  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    80   0.15000  1.0 3.0
   71    70    76    83   0.23400  1.0 3.0
   71    70    78    79   0.19450  1.0 3.0
   76    70    78    79  -0.11600  1.0 1.0
   76    70    78    79  -0.09450 -1.0 2.0
   76    70    78    79   0.21250  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   76    80    84    93   0.56750  1.0 1.0
   76    80    84    93  -0.07550 -1.0 2.0
   76    80    84    93   0.20000  1.0 3.0
   76    83    86    87   0.37050  1.0 3.0
   76    83    86    88   0.37050  1.0 3.0
   76    83    86    89   0.37050  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   77    76    83    86   0.37050  1.0 3.0
   80    76    83    86   0.06250  1.0 1.0
   80    76    83    86  -0.01100 -1.0 2.0
   80    76    83    86   0.28050  1.0 3.0
   80    84    90    91   0.15000  1.0 3.0
   80    84    90    92   0.15000  1.0 3.0
   80    84    90    97  -0.03700  1.0 1.0
   80    84    90    97   0.37200 -1.0 2.0
   80    84    90    97  -0.47300  1.0 3.0
   80    84    93    94   0.15000  1.0 3.0
   80    84    93    95   0.15000  1.0 3.0
   80    84    93    96   0.15000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   81    80    84    93   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   82    80    84    93   0.15000  1.0 3.0
   84    90    97    98   0.04150 -1.0 2.0
   84    90    97   108   0.04150 -1.0 2.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    92   0.15000  1.0 3.0
   85    84    90    97   0.43200  1.0 3.0
   85    84    93    94   0.15000  1.0 3.0
   85    84    93    95   0.15000  1.0 3.0
   85    84    93    96   0.15000  1.0 3.0
   90    84    93    94   0.15000  1.0 3.0
   90    84    93    95   0.15000  1.0 3.0
   90    84    93    96   0.15000  1.0 3.0
   90    97    98    99   3.62500 -1.0 2.0
   90    97    98   100   3.62500 -1.0 2.0
   90    97   108   105   3.62500 -1.0 2.0
   90    97   108   109   3.62500 -1.0 2.0
   91    90    97    98   0.00000  1.0 1.0
   91    90    97   108   0.00000  1.0 1.0
   92    90    97    98   0.00000  1.0 1.0
   92    90    97   108   0.00000  1.0 1.0
   97    98   100   101   3.62500 -1.0 2.0
   97    98   100   103   3.62500 -1.0 2.0
   98    97   108   105   3.62500 -1.0 2.0
   98    97   108   109   3.62500 -1.0 2.0
   98   100   101   102   3.62500 -1.0 2.0
   98   100  -101   105   3.62500 -1.0 2.0
   98   100   103   104   0.97800 -1.0 2.0
   98   100   103   106   1.00100  1.0 1.0
   98   100   103   106   0.85050 -1.0 2.0
   99    98   100   101   3.62500 -1.0 2.0
   99    98   100   103   3.62500 -1.0 2.0
  100   101   105   108   3.62500 -1.0 2.0
  100   101   105   110   3.62500 -1.0 2.0
  100   103   106   107   0.04000 -1.0 2.0
  100   103   106    41   0.76000  1.0 1.0
  100   103   106    41   4.11600 -1.0 2.0
  101   100   103   104   0.97800 -1.0 2.0
  101   100   103   106   1.00100  1.0 1.0
  101   100   103   106   0.85050 -1.0 2.0
  101   105  -108    97   3.62500 -1.0 2.0
  101   105   108   109   3.62500 -1.0 2.0
  101   105   110   111   0.84100 -1.0 2.0
  102   101   105   108   3.62500 -1.0 2.0
  102   101   105   110   3.62500 -1.0 2.0
  108    97    98    99   3.62500 -1.0 2.0
  108    97   -98   100   3.62500 -1.0 2.0
  108   105   110   111   0.84100 -1.0 2.0
  110   105   108    97   3.62500 -1.0 2.0
  110   105   108   109   3.62500 -1.0 2.0
  103   100   101   102   3.62500 -1.0 2.0
  103   100   101   105   3.62500 -1.0 2.0
  103   106    41    33   1.39750  1.0 1.0
  103   106    41    33  -0.07950 -1.0 2.0
  103   106    41    33  -0.18750  1.0 3.0
  103   106    41    42   0.00000  1.0 1.0
  103   106    41    46   1.39750  1.0 1.0
  103   106    41    46  -0.07950 -1.0 2.0
  103   106    41    46  -0.18750  1.0 3.0
  104   103   106   107   2.45000 -1.0 2.0
  104   103   106    41   2.45000 -1.0 2.0
  106    41    46    47  -0.11250  1.0 3.0
  106    41    46    48  -0.11250  1.0 3.0
  106    41    46    49  -0.11250  1.0 3.0
  107   106    41    33   0.30150 -1.0 2.0
  107   106    41    42   0.00000  1.0 1.0
  107   106    41    46   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   93    84    90    91   0.15000  1.0 3.0
   93    84    90    92   0.15000  1.0 3.0
   93    84    90    97  -0.03700  1.0 1.0
   93    84    90    97   0.37200 -1.0 2.0
   93    84    90    97  -0.47300  1.0 3.0
   83    76    80    81   0.23400  1.0 3.0
   83    76    80    82   0.23400  1.0 3.0
   83    76    80    84   0.62750  1.0 1.0
   83    76    80    84  -0.30950 -1.0 2.0
   83    76    80    84   0.27300  1.0 3.0
   78    70    76    77   0.23400  1.0 3.0
   78    70    76    80   0.86500  1.0 1.0
   78    70    76    80  -0.17500 -1.0 2.0
   78    70    76    80   0.20800  1.0 3.0
   78    70    76    83   3.69350  1.0 1.0
   78    70    76    83  -1.82950 -1.0 2.0
   72    68    70    71   0.15000  1.0 3.0
   72    68    70    76   0.56750  1.0 1.0
   72    68    70    76  -0.07550 -1.0 2.0
   72    68    70    76   0.20000  1.0 3.0
   72    68    70    78   0.86500  1.0 1.0
   72    68    70    78  -0.17500 -1.0 2.0
   72    68    70    78   0.20800  1.0 3.0
   64    55    62    63   7.00000 -1.0 2.0
   64    55    62    68   7.00000 -1.0 2.0
   56    52    55    62   0.67800  1.0 1.0
   56    52    55    62   0.47050 -1.0 2.0
   56    52    55    62  -0.62500  1.0 3.0
   56    52    55    64   0.18000  1.0 1.0
   56    52    55    64   0.16450 -1.0 2.0
   56    52    55    64   0.04450  1.0 3.0
   54    50    52    53   0.23400  1.0 3.0
   54    50    52    55   0.61850  1.0 1.0
   54    50    52    55  -0.22750 -1.0 2.0
   54    50    52    55   0.15300  1.0 3.0
   54    50    52    56   3.69350  1.0 1.0
   54    50    52    56  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   52    64    55    62   1.10000 -1.0 2.0
   68    63    62    55   1.10000 -1.0 2.0
   98   108    97    90   4.00000 -1.0 2.0
  100    99    98    97   1.10000 -1.0 2.0
  101   103   100    98   4.00000 -1.0 2.0
  105   102   101   100   1.10000 -1.0 2.0
  108   110   105   101   4.00000 -1.0 2.0
  105   109   108    97   1.10000 -1.0 2.0
  104   106   103   100   1.00000 -1.0 2.0
  103    41   106   107  10.50000 -1.0 2.0
END
