* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    196    278     557
    1     0 S   NP   _N1_     1    30.02259    90.96388   -20.21394
    2     1 S   H    _HN1     2     1.02972   102.64614   -40.35870
    3     1 S   H    _H1_     3     1.03325   118.32126    76.11208
    4     1 S   H    _H2_     4     1.02740    11.23692    78.69672
    5     1 S   CT   _CA1     5     1.49925   105.62859  -158.04121
    6     5 S   HC   _HA1     6     1.09572   105.07713    53.53193
    7     5 S   CO3  _C1_     7     1.53668   113.00533   -66.87807
    8     7 S   O2Z  _O11     8     1.26321   115.29981   -45.06906
    9     7 S   O2Z  _O12     9     1.26291   114.83106   134.27931
   10     5 S   CT   _CB1    10     1.52868   107.39044   171.49860
   11    10 S   HC   HB11    11     1.09561   109.17532   -47.02369
   12    10 S   HC   HB12    12     1.09804   110.59739    69.31496
   13    10 S   CT   _CG1    13     1.52878   113.14270  -167.63190
   14    13 S   HC   HG11    14     1.09511   111.17860   -65.35595
   15    13 S   HC   HG12    15     1.09599   110.86973    53.99868
   16    13 S   C    _CD1    16     1.51448   109.28606   172.77542
   17    16 S   O    _OE1    17     1.22889   121.57111   -82.69672
   18    16 S   N    _N2_    18     1.38401   113.25148    95.07259
   19    18 S   H    _HN2    19     1.01560   119.25906     5.63861
   20    18 S   CT1  _CA2    20     1.46163   123.16488  -175.94938
   21    20 S   HC   _HA2    21     1.09586   108.94191     8.97785
   22    20 S   C    _C2_    22     1.53562   109.92316  -106.59325
   23    22 S   O    _O2_    23     1.23128   121.95759  -149.63290
   24    20 S   CT   _CB2    32     1.53572   111.74011   130.68998
   25    24 S   HC   HB21    33     1.09674   109.35122    67.81237
   26    24 S   HC   HB22    34     1.09517   110.85861  -175.25612
   27    22 S   N    _N3_    24     1.38232   114.17242    37.95204
   28    27 S   H    _HN3    25     1.01568   119.81983    -3.45417
   29    24 S   S    _SG2    35     1.82832   114.75163   -51.16554
   30    27 S   CT   _CA3    26     1.45327   122.91710   176.81678
   31    30 S   HC   HA31    27     1.09558   107.58964   -62.06270
   32    30 S   HC   HA32    28     1.09564   107.84793    54.29818
   33    29 S   CT   _C18    36     1.83846   100.92568   -69.58256
   34    33 S   HC   _H10    37     1.09266   108.59086    43.89975
   35    30 S   CO3  _C3_    29     1.52898   114.26965   176.29276
   36    35 S   O2Z  _O31    30     1.26337   116.07749     0.86185
   37    35 S   O2Z  _O32    31     1.26440   114.39450  -179.12151
   38    33 S   CT   _C19    38     1.51871   110.89123   -80.24948
   39    38 S   HC   _H29    39     1.09455   115.50957    33.56662
   40    38 S   HC   _H30    40     1.09758   108.53806   152.32805
   41    38 S   CT   _C20    41     1.52856   104.65622   -92.23493
   42    41 S   HC   _H11    42     1.09574   110.05143  -127.98320
   43    41 S   OS   _O47    43     1.43749   107.31422   -10.66848
   44    41 S   CT   _C21    99     1.51957   113.68036   109.67795
   45    44 S   HC   _H31   100     1.09446   111.52373   -61.27387
   46    44 S   HC   _H32   101     1.09541   110.19661  -179.24957
   47    44 S   HC   _H33   102     1.09407   111.21894    60.32093
   48    33 S   CT   _C17    44     1.53128   113.62719   166.51389
   49    48 S   HC   _H9_    45     1.09901   109.35963  -165.16699
   50    48 S   CT   _C16    46     1.52293   116.59639   -40.85857
   51    50 S   HC   _H27    47     1.09413   111.58110    74.95759
   52    50 S   HC   _H28    48     1.09265   110.00905   -47.35048
   53    50 S   OS   _O46    49     1.42571   109.31477  -166.50496
   54    53 S   P2   _P3_    50     1.63491   118.38651   169.11425
   55    54 S   O2Z  _O45    51     1.51140   108.79006   177.21702
   56    54 S   O2Z  _O44    52     1.51442   109.18596    43.83499
   57    54 S   OS   _O43    53     1.63428    99.87705   -68.68728
   58    57 S   CT   _C12    54     1.42841   119.85993   -66.06346
   59    58 S   HC   _H7_    55     1.09308   109.91068    27.10275
   60    58 S   CT   _C13    56     1.51115   107.66646   150.36556
   61    60 S   HC   _H22    57     1.09508   110.04981  -164.64955
   62    60 S   HC   _H23    58     1.09325   113.88977   -42.76774
   63    60 S   CT   _C14    59     1.52233   101.86345    77.63690
   64    63 S   HC   _H8_    60     1.09633   110.34287   -85.28691
   65    63 S   OS   _O42    61     1.43920   106.77187    30.69405
   66    63 S   CT   _C15    95     1.51673   113.26208   151.63706
   67    66 S   HC   _H24    96     1.09554   111.03422   -60.88186
   68    66 S   HC   _H25    97     1.09516   110.33726  -178.81436
   69    66 S   HC   _H26    98     1.09403   111.21842    60.44077
   70    58 S   CT   _C11    62     1.52586   109.18116   -99.58269
   71    70 S   HC   _H6_    63     1.09528   111.19782    35.50980
   72    70 S   CT   _C10    64     1.52852   113.99017   160.19263
   73    72 S   HC   _H20    65     1.09575   109.54451  -175.72717
   74    72 S   HC   _H21    66     1.09503   110.85356    66.84558
   75    72 S   OS   _O41    67     1.41833   110.33122   -55.28066
   76    75 S   P2   _P2_    68     1.63464   119.07636   174.34449
   77    76 S   O2Z  _O40    69     1.51223   108.44074  -176.81795
   78    76 S   O2Z  _O39    70     1.51339   108.80845    50.48368
   79    76 S   OS   _O38    71     1.63360   100.22133   -62.65290
   80    79 S   CT   _C7_    72     1.42763   120.23158   -64.91337
   81    80 S   HC   _H4_    73     1.09332   109.93928    28.36939
   82    80 S   CT   _C6_    74     1.51288   107.34165   151.47953
   83    82 S   HC   _H15    75     1.09607   110.06100  -163.34945
   84    82 S   HC   _H16    76     1.09417   113.90805   -41.15346
   85    82 S   CT   _C5_    77     1.52192   101.91753    78.79771
   86    85 S   HC   _H3_    78     1.09656   110.29287   -84.59719
   87    85 S   OS   _O33    79     1.43708   106.70901    31.41174
   88    85 S   CT   _C4_    91     1.51686   113.31917   152.25011
   89    88 S   HC   _H12    92     1.09553   111.02398   -60.96774
   90    88 S   HC   _H13    93     1.09520   110.33609  -178.86962
   91    88 S   HC   _H14    94     1.09398   111.25404    60.37186
   92    80 S   CT   _C8_    80     1.52665   109.72394   -98.26519
   93    92 S   HC   _H5_    81     1.09517   111.37572    34.22130
   94    92 S   CT   _C9_    82     1.52776   113.46406   158.91954
   95    94 S   HC   _H17    83     1.09578   109.58169   176.11274
   96    94 S   HC   _H18    84     1.09544   110.90483    58.43537
   97    94 S   OS   _O34    85     1.41904   110.35372   -63.33075
   98    97 S   P2   _P1_    86     1.63248   118.57647   178.64016
   99    98 S   O2Z  _O37    87     1.51087   108.74774  -179.98022
  100    98 S   O2Z  _O35    88     1.51173   109.94058   -45.58823
  101    98 S   OS   _O36    89     1.63121    99.20634    68.07701
  102   101 S   HO   _H19    90     0.97890   115.83802    81.12036
  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
  14   8   2   1   1  12   6   5   9   6  10   4   2   1   1   6
   4   7   3   2   5   7   3   2  10  14   8  12   6   5   9   6
  10   4   2   1   1   6   4   7   3   2   5   7   3   2  10  14
   8  12   6   5   9   6  10   4   2   1   1   6   4   7   3   2
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    51    52    53    44  
   38    39    40    41    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    50    44    45    46    47  
   40    41    42    43    48    44  
   41    42    43    48    44  
   42    43    48    49    50    44    45    46    47  
   43    48    44    45    46    47  
   48    49    50    51    52    53    44    45    46    47  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    53    54  
   50    51    52    53  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54    55    56    57    58  
   55    56    57    58    59    60    70  
   56    57    58  
   57    58  
   58    59    60    61    62    63    65    70    71    72  
   59    60    61    62    63    64    65    70    71    72    73    74    75    66  
   60    61    62    63    65    70    71    72  
   61    62    63    64    65    70    71    72    66    67    68    69  
   62    63    64    65    70    66  
   63    64    65    70    66  
   64    65    70    71    72    66    67    68    69  
   65    70    66    67    68    69  
   70    71    72    73    74    75    66    67    68    69  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    76  
   72    73    74    75  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76    77    78    79    80  
   77    78    79    80    81    82    92  
   78    79    80  
   79    80  
   80    81    82    83    84    85    87    92    93    94  
   81    82    83    84    85    86    87    92    93    94    95    96    97    88  
   82    83    84    85    87    92    93    94  
   83    84    85    86    87    92    93    94    88    89    90    91  
   84    85    86    87    92    88  
   85    86    87    92    88  
   86    87    92    93    94    88    89    90    91  
   87    92    88    89    90    91  
   92    93    94    95    96    97    88    89    90    91  
   89    90    91    92  
   90    91  
   91  
    0  
   93    94    95    96    97    98  
   94    95    96    97  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   77   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   78   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   79   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   99   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
  100   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
  101   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.380000   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   320.000  1.410
   41    44   268.000  1.529
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   320.000  1.410
   53    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    57   230.000  1.697
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    70   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   320.000  1.410
   63    66   268.000  1.529
   65    70   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   230.000  1.697
   76    77   525.000  1.480
   76    78   525.000  1.480
   76    79   230.000  1.697
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    92   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   320.000  1.410
   85    88   268.000  1.529
   87    92   320.000  1.410
   92    93   340.000  1.090
   92    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   320.000  1.410
   97    98   230.000  1.697
   98    99   525.000  1.480
   98   100   525.000  1.480
   98   101   230.000  1.697
  101   102   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    48    43    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    50.00000  109.50000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    48    60.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   43    41    42    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54   100.00000  120.50000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55   100.00000  108.23000
   53    54    56   100.00000  108.23000
   53    54    57    45.00000  102.60000
   54    57    58   100.00000  120.50000
   56    54    55   140.00000  119.90000
   57    54    55   100.00000  108.23000
   57    54    56   100.00000  108.23000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   57    58    70    50.00000  109.50000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    58.35000  112.70000
   58    70    65    50.00000  109.50000
   58    70    71    37.50000  110.70000
   58    70    72    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    50.00000  109.50000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    70    60.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    50.00000  109.50000
   70    58    59    37.50000  110.70000
   70    58    60    58.35000  112.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    50.00000  109.50000
   72    70    71    37.50000  110.70000
   72    75    76   100.00000  120.50000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77   100.00000  108.23000
   75    76    78   100.00000  108.23000
   75    76    79    45.00000  102.60000
   76    79    80   100.00000  120.50000
   78    76    77   140.00000  119.90000
   79    76    77   100.00000  108.23000
   79    76    78   100.00000  108.23000
   79    80    81    35.00000  109.50000
   79    80    82    50.00000  109.50000
   79    80    92    50.00000  109.50000
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    58.35000  112.70000
   80    92    87    50.00000  109.50000
   80    92    93    37.50000  110.70000
   80    92    94    58.35000  112.70000
   82    80    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    50.00000  109.50000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    87    92    60.00000  109.50000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   87    85    86    35.00000  109.50000
   87    92    93    35.00000  109.50000
   87    92    94    50.00000  109.50000
   92    80    81    37.50000  110.70000
   92    80    82    58.35000  112.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    50.00000  109.50000
   94    92    93    37.50000  110.70000
   94    97    98   100.00000  120.50000
   96    94    95    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    35.00000  109.50000
   97    98    99   100.00000  108.23000
   97    98   100   100.00000  108.23000
   97    98   101    45.00000  102.60000
   98   101   102    45.00000  108.50000
  100    98    99   140.00000  119.90000
  101    98    99   100.00000  108.23000
  101    98   100   100.00000  108.23000
   88    85    86    37.50000  110.70000
   88    85    87    50.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    53   0.62750  1.0 1.0
   33    48    50    53  -0.30950 -1.0 2.0
   33    48    50    53   0.27300  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    41   0.15000  1.0 3.0
   34    33    48    43   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33   -48    43   0.62750  1.0 1.0
   38    33   -48    43  -0.30950 -1.0 2.0
   38    33   -48    43   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.56750  1.0 1.0
   38    33    48    50  -0.07550 -1.0 2.0
   38    33    48    50   0.20000  1.0 3.0
   38    41   -43    48   0.06250  1.0 1.0
   38    41   -43    48  -0.01100 -1.0 2.0
   38    41   -43    48   0.28050  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    43   -48    33   0.06250  1.0 1.0
   41    43   -48    33  -0.01100 -1.0 2.0
   41    43   -48    33   0.28050  1.0 3.0
   41    43    48    49   0.37050  1.0 3.0
   41    43    48    50   0.06250  1.0 1.0
   41    43    48    50  -0.01100 -1.0 2.0
   41    43    48    50   0.28050  1.0 3.0
   42    41    43    48   0.37050  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.23400  1.0 3.0
   43    41    44    46   0.23400  1.0 3.0
   43    41    44    47   0.23400  1.0 3.0
   43    48    50    51   0.23400  1.0 3.0
   43    48    50    52   0.23400  1.0 3.0
   43    48    50    53   1.11900  1.0 1.0
   43    48    50    53  -1.16350 -1.0 2.0
   43    48    50    53  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.56750  1.0 1.0
   48    33   -38    41  -0.07550 -1.0 2.0
   48    33   -38    41   0.20000  1.0 3.0
   48    50    53    54  -2.65550  1.0 1.0
   48    50    53    54  -0.22350 -1.0 2.0
   48    50    53    54   0.24150  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.23400  1.0 3.0
   50    53    54    55   0.00000  1.0 1.0
   50    53    54    56   0.00000  1.0 1.0
   50    53    54    57   0.05050  1.0 1.0
   50    53    54    57  -1.30700 -1.0 2.0
   50    53    54    57   0.91550  1.0 3.0
   51    50    53    54   0.03000  1.0 3.0
   52    50    53    54   0.03000  1.0 3.0
   53    54    57    58   0.05050  1.0 1.0
   53    54    57    58  -1.30700 -1.0 2.0
   53    54    57    58   0.91550  1.0 3.0
   54    57    58    59   0.03000  1.0 3.0
   54    57    58    60  -2.65550  1.0 1.0
   54    57    58    60  -0.22350 -1.0 2.0
   54    57    58    60   0.24150  1.0 3.0
   54    57    58    70  -2.65550  1.0 1.0
   54    57    58    70  -0.22350 -1.0 2.0
   54    57    58    70   0.24150  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   56    54    57    58   0.00000  1.0 1.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.23400  1.0 3.0
   57    58    60    63   0.62750  1.0 1.0
   57    58    60    63  -0.30950 -1.0 2.0
   57    58    60    63   0.27300  1.0 3.0
   57    58    70    65   1.11900  1.0 1.0
   57    58    70    65  -1.16350 -1.0 2.0
   57    58    70    65  -0.34150  1.0 3.0
   57    58    70    71   0.23400  1.0 3.0
   57    58    70    72   0.62750  1.0 1.0
   57    58    70    72  -0.30950 -1.0 2.0
   57    58    70    72   0.27300  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60   -63    65   0.62750  1.0 1.0
   58    60   -63    65  -0.30950 -1.0 2.0
   58    60   -63    65   0.27300  1.0 3.0
   58    60    63    66   0.56750  1.0 1.0
   58    60    63    66  -0.07550 -1.0 2.0
   58    60    63    66   0.20000  1.0 3.0
   58    70    72    73   0.15000  1.0 3.0
   58    70    72    74   0.15000  1.0 3.0
   58    70    72    75   0.62750  1.0 1.0
   58    70    72    75  -0.30950 -1.0 2.0
   58    70    72    75   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    70    65   0.23400  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   59    58    70    72   0.15000  1.0 3.0
   60    58   -70    65   0.62750  1.0 1.0
   60    58   -70    65  -0.30950 -1.0 2.0
   60    58   -70    65   0.27300  1.0 3.0
   60    58    70    71   0.15000  1.0 3.0
   60    58    70    72   0.56750  1.0 1.0
   60    58    70    72  -0.07550 -1.0 2.0
   60    58    70    72   0.20000  1.0 3.0
   60    63   -65    70   0.06250  1.0 1.0
   60    63   -65    70  -0.01100 -1.0 2.0
   60    63   -65    70   0.28050  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.23400  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.23400  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    65   -70    58   0.06250  1.0 1.0
   63    65   -70    58  -0.01100 -1.0 2.0
   63    65   -70    58   0.28050  1.0 3.0
   63    65    70    71   0.37050  1.0 3.0
   63    65    70    72   0.06250  1.0 1.0
   63    65    70    72  -0.01100 -1.0 2.0
   63    65    70    72   0.28050  1.0 3.0
   64    63    65    70   0.37050  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.23400  1.0 3.0
   65    63    66    68   0.23400  1.0 3.0
   65    63    66    69   0.23400  1.0 3.0
   65    70    72    73   0.23400  1.0 3.0
   65    70    72    74   0.23400  1.0 3.0
   65    70    72    75   1.11900  1.0 1.0
   65    70    72    75  -1.16350 -1.0 2.0
   65    70    72    75  -0.34150  1.0 3.0
   70    58    60    61   0.15000  1.0 3.0
   70    58    60    62   0.15000  1.0 3.0
   70    58   -60    63   0.56750  1.0 1.0
   70    58   -60    63  -0.07550 -1.0 2.0
   70    58   -60    63   0.20000  1.0 3.0
   70    72    75    76  -2.65550  1.0 1.0
   70    72    75    76  -0.22350 -1.0 2.0
   70    72    75    76   0.24150  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   72    75    76    77   0.00000  1.0 1.0
   72    75    76    78   0.00000  1.0 1.0
   72    75    76    79   0.05050  1.0 1.0
   72    75    76    79  -1.30700 -1.0 2.0
   72    75    76    79   0.91550  1.0 3.0
   73    72    75    76   0.03000  1.0 3.0
   74    72    75    76   0.03000  1.0 3.0
   75    76    79    80   0.05050  1.0 1.0
   75    76    79    80  -1.30700 -1.0 2.0
   75    76    79    80   0.91550  1.0 3.0
   76    79    80    81   0.03000  1.0 3.0
   76    79    80    82  -2.65550  1.0 1.0
   76    79    80    82  -0.22350 -1.0 2.0
   76    79    80    82   0.24150  1.0 3.0
   76    79    80    92  -2.65550  1.0 1.0
   76    79    80    92  -0.22350 -1.0 2.0
   76    79    80    92   0.24150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   79    80    82    83   0.23400  1.0 3.0
   79    80    82    84   0.23400  1.0 3.0
   79    80    82    85   0.62750  1.0 1.0
   79    80    82    85  -0.30950 -1.0 2.0
   79    80    82    85   0.27300  1.0 3.0
   79    80    92    87   1.11900  1.0 1.0
   79    80    92    87  -1.16350 -1.0 2.0
   79    80    92    87  -0.34150  1.0 3.0
   79    80    92    93   0.23400  1.0 3.0
   79    80    92    94   0.62750  1.0 1.0
   79    80    92    94  -0.30950 -1.0 2.0
   79    80    92    94   0.27300  1.0 3.0
   80    82    85    86   0.15000  1.0 3.0
   80    82   -85    87   0.62750  1.0 1.0
   80    82   -85    87  -0.30950 -1.0 2.0
   80    82   -85    87   0.27300  1.0 3.0
   80    82    85    88   0.56750  1.0 1.0
   80    82    85    88  -0.07550 -1.0 2.0
   80    82    85    88   0.20000  1.0 3.0
   80    92    94    95   0.15000  1.0 3.0
   80    92    94    96   0.15000  1.0 3.0
   80    92    94    97   0.62750  1.0 1.0
   80    92    94    97  -0.30950 -1.0 2.0
   80    92    94    97   0.27300  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    92    87   0.23400  1.0 3.0
   81    80    92    93   0.15000  1.0 3.0
   81    80    92    94   0.15000  1.0 3.0
   82    80   -92    87   0.62750  1.0 1.0
   82    80   -92    87  -0.30950 -1.0 2.0
   82    80   -92    87   0.27300  1.0 3.0
   82    80    92    93   0.15000  1.0 3.0
   82    80    92    94   0.56750  1.0 1.0
   82    80    92    94  -0.07550 -1.0 2.0
   82    80    92    94   0.20000  1.0 3.0
   82    85   -87    92   0.06250  1.0 1.0
   82    85   -87    92  -0.01100 -1.0 2.0
   82    85   -87    92   0.28050  1.0 3.0
   82    85    88    89   0.15000  1.0 3.0
   82    85    88    90   0.15000  1.0 3.0
   82    85    88    91   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.23400  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.23400  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   85    87   -92    80   0.06250  1.0 1.0
   85    87   -92    80  -0.01100 -1.0 2.0
   85    87   -92    80   0.28050  1.0 3.0
   85    87    92    93   0.37050  1.0 3.0
   85    87    92    94   0.06250  1.0 1.0
   85    87    92    94  -0.01100 -1.0 2.0
   85    87    92    94   0.28050  1.0 3.0
   86    85    87    92   0.37050  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.23400  1.0 3.0
   87    85    88    90   0.23400  1.0 3.0
   87    85    88    91   0.23400  1.0 3.0
   87    92    94    95   0.23400  1.0 3.0
   87    92    94    96   0.23400  1.0 3.0
   87    92    94    97   1.11900  1.0 1.0
   87    92    94    97  -1.16350 -1.0 2.0
   87    92    94    97  -0.34150  1.0 3.0
   92    80    82    83   0.15000  1.0 3.0
   92    80    82    84   0.15000  1.0 3.0
   92    80   -82    85   0.56750  1.0 1.0
   92    80   -82    85  -0.07550 -1.0 2.0
   92    80   -82    85   0.20000  1.0 3.0
   92    94    97    98  -2.65550  1.0 1.0
   92    94    97    98  -0.22350 -1.0 2.0
   92    94    97    98   0.24150  1.0 3.0
   93    92    94    95   0.15000  1.0 3.0
   93    92    94    96   0.15000  1.0 3.0
   93    92    94    97   0.23400  1.0 3.0
   94    97    98    99   0.00000  1.0 1.0
   94    97    98   100   0.00000  1.0 1.0
   94    97    98   101   0.05050  1.0 1.0
   94    97    98   101  -1.30700 -1.0 2.0
   94    97    98   101   0.91550  1.0 3.0
   95    94    97    98   0.03000  1.0 3.0
   96    94    97    98   0.03000  1.0 3.0
   97    98   101   102   0.00000  1.0 1.0
   99    98   101   102   0.00000  1.0 1.0
  100    98   101   102   0.00000  1.0 1.0
   88    85    87    92   0.06250  1.0 1.0
   88    85    87    92  -0.01100 -1.0 2.0
   88    85    87    92   0.28050  1.0 3.0
   66    63    65    70   0.06250  1.0 1.0
   66    63    65    70  -0.01100 -1.0 2.0
   66    63    65    70   0.28050  1.0 3.0
   44    41    43    48   0.06250  1.0 1.0
   44    41    43    48  -0.01100 -1.0 2.0
   44    41    43    48   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
