* LIGAND DATABASE FILE (OPLS2005)
*
001     102   105    195    314     586
    1     0 S   NP   _N1_     1    28.41499    97.59428   -20.42830
    2     1 S   H    _HN1     2     1.02768    82.73835   -79.80528
    3     1 S   H    _H1_     3     1.02960    79.03200    30.64054
    4     1 S   H    _H2_     4     1.02833    46.52021   156.78975
    5     1 S   CT   _CA1     5     1.50184   156.92355   147.25337
    6     5 S   HC   _HA1     6     1.09572   105.14138    66.61236
    7     5 S   CO3  _C1_     7     1.53896   112.84001   -53.18239
    8     7 S   O2Z  _O11     8     1.26338   115.01666   -28.53920
    9     7 S   O2Z  _O12     9     1.26334   115.07682   150.99482
   10     5 S   CT   _CB1    10     1.53170   107.37731  -175.35691
   11    10 S   HC   HB11    11     1.09811   109.38513   -48.37844
   12    10 S   HC   HB12    12     1.09820   110.29068    68.24869
   13    10 S   CT   _CG1    13     1.52885   112.71804  -169.51870
   14    13 S   HC   HG11    14     1.09380   110.38288   -64.61346
   15    13 S   HC   HG12    15     1.09655   110.06148    54.55498
   16    13 S   C    _CD1    16     1.51636   112.80662   174.97063
   17    16 S   O    _OE1    17     1.22656   123.39679    -7.86607
   18    16 S   N    _N2_    18     1.38629   111.27255   173.08324
   19    18 S   H    _HN2    19     1.01563   118.94289     1.10127
   20    18 S   CT1  _CA2    20     1.45998   123.52786   178.02851
   21    20 S   HC   _HA2    21     1.09733   109.65241    -5.04508
   22    20 S   C    _C2_    22     1.53538   107.58263  -120.49549
   23    22 S   O    _O2_    23     1.23001   122.38221  -140.72911
   24    20 S   CT   _CB2    32     1.53520   111.54271   117.43940
   25    24 S   HC   HB21    33     1.09333   109.63904    54.36878
   26    24 S   HC   HB22    34     1.09299   108.65623   172.51444
   27    22 S   N    _N3_    24     1.38545   113.31557    46.03066
   28    27 S   H    _HN3    25     1.01513   118.98354     0.00000
   29    24 S   S    _SG2    35     1.83656   111.25977   -68.40936
   30    27 S   CT   _CA3    26     1.45466   123.49660   175.67351
   31    30 S   HC   HA31    27     1.09516   109.34229    22.33201
   32    30 S   HC   HA32    28     1.09499   107.08562   139.33564
   33    29 S   CT   _C19    36     1.87604   104.24228   168.86845
   34    30 S   CO3  _C3_    29     1.52917   113.06751  -101.23442
   35    34 S   O2Z  _O31    30     1.26404   115.37268   -45.10186
   36    34 S   O2Z  _O32    31     1.26349   115.00097   135.83331
   37    33 S   CO4  _C20    37     1.53485   105.91033    39.52995
   38    37 S   O    _O33    38     1.22257   127.53668    44.26424
   39    33 S   CT   _C11    62     1.63103   116.57421   159.85479
   40    39 S   HC   _H4_    63     1.10111   103.84615   154.96494
   41    37 S   OS   _O34    39     1.35666   109.93927  -139.23311
   42    39 S   CT   _C10    64     1.59320   113.38156   -95.68530
   43    42 S   HC   _H3_    65     1.09286   109.96486   -47.91927
   44    41 S   CO4  _C21    40     1.35235   110.98689    12.43998
   45    44 S   O    _O35    41     1.22110   123.50327  -176.09766
   46    42 S   CT   _C9_    66     1.53590   115.18097    76.91796
   47    46 S   HC   _H21    67     1.09626   109.98751    72.22270
   48    46 S   HC   _H22    68     1.09337   110.86751   -46.83011
   49    42 S   OH   _O43    85     1.43728   110.21552  -161.39934
   50    49 S   HO   _H32    86     0.97187   107.79428    52.12480
   51    33 S   CT   _C18    42     1.56299   109.57892   -66.30653
   52    51 S   HC   _H7_    43     1.09419   110.55259    29.22926
   53    46 S   CT   _C8_    69     1.53486   111.68509  -168.41590
   54    53 S   HC   _H19    70     1.09646   109.92190   -59.58919
   55    53 S   HC   _H20    71     1.09674   109.51966    57.93603
   56    51 S   CT   _C17    44     1.53725   123.20581  -100.13815
   57    56 S   HC   _H25    45     1.09932   108.01647  -157.66723
   58    56 S   HC   _H26    46     1.09372   110.44832   -46.75115
   59    53 S   CT   _C7_    72     1.53004   111.22626   179.03207
   60    59 S   HC   _H17    73     1.09679   109.56852    58.79575
   61    59 S   HC   _H18    74     1.09684   109.55944   -58.49783
   62    56 S   CT   _C16    47     1.54916   118.90082    83.60989
   63    62 S   HC   _H6_    48     1.10124   105.55311   168.17968
   64    59 S   CT   _C6_    75     1.52947   111.32707  -179.82983
   65    64 S   HC   _H15    76     1.09684   109.57796   -58.66973
   66    64 S   HC   _H16    77     1.09685   109.57421    58.60244
   67    62 S   CT   _C15    49     1.54222   112.95539   -77.25138
   68    67 S   HC   _H23    50     1.09737   110.33850  -173.03168
   69    67 S   HC   _H24    51     1.08931   110.22016    71.65720
   70    64 S   CT   _C5_    78     1.52844   111.32269   179.96044
   71    70 S   HC   _H13    79     1.09623   109.86597   -58.85635
   72    70 S   HC   _H14    80     1.09623   109.86619    58.87220
   73    62 S   CT   _C22    87     1.55390   115.49104    51.35707
   74    73 S   HC   _H8_    88     1.09564   109.47553   -72.92064
   75    67 S   CM   _C14    52     1.48686   111.53664   -52.74217
   76    70 S   CT   _C4_    81     1.52036   111.49297  -180.00000
   77    76 S   HC   _H10    82     1.09469   111.00124   -60.25891
   78    76 S   HC   _H11    83     1.09468   111.00103    60.26122
   79    76 S   HC   _H12    84     1.09449   110.26127  -180.00000
   80    73 S   CT   _C23    89     1.54399   114.56135    50.43626
   81    80 S   HC   _H9_    90     1.09692   108.80984   -61.29968
   82    73 S   OH   _O38   101     1.43249   106.58906   171.39485
   83    82 S   HO   _H31   102     0.97265   109.25144   165.76678
   84    75 S   CM   _C13    53     1.33495   130.25722   100.74820
   85    80 S   CT   _C24    91     1.52833   113.16782   177.70979
   86    85 S   HC   _H27    92     1.09544   109.76058    64.91640
   87    85 S   HC   _H28    93     1.09480   112.52874   -55.58112
   88    84 S   CO4  _C29    54     1.47678   106.22456  -178.06842
   89    88 S   O    _O41    55     1.21826   126.91072   178.22590
   90    84 S   CT   _C12    59     1.51145   133.13077     2.46744
   91    90 S   OM   _O42    60     1.31725   107.83729    56.28677
   92    90 S   HC   _H5_    61     1.09823   101.72572   177.01063
   93    85 S   CM   _C25    94     1.49281   108.54962  -174.62801
   94    93 S   HC   _H29    95     1.08542   118.60097  -152.67754
   95    88 S   OS   _O40    56     1.35349   107.92966    -1.26764
   96    93 S   CM   _C26    96     1.33709   121.42011    27.83764
   97    96 S   HC   _H30    97     1.08355   121.45393   179.01265
   98    75 S   CO4  _C28    57     1.46401   121.16223   -78.67834
   99    98 S   O    _O39    58     1.21739   126.64672    -1.30026
  100    96 S   CO4  _C27    98     1.47558   120.66740     3.62617
  101   100 S   O    _O36    99     1.22567   120.79926   167.90806
  102    80 S   OS   _O37   100     1.44691   109.33760    55.03193
  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  12   5   4   3
  21   2   1   1  11   4  20   9   5  15   7   7   3  12   6   5
   3   1   9   4   9   5   4  12   5   4   9   5   4  15   8   9
   5   4  13   5   4   6   5   4  12   6   9   3   2   1   1  12
   7   3   1   8   8   5   4   7   3   4   1   1   6   3   2   4
   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    51    52    56    90    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    45    51    52    56    57    58    62    84    90    91    92    39    40    42    43    46    49  
   35    36  
   36  
    0  
   38    41    44    45    51    52    56    90    39    40    42  
   41    44    51    39  
   40    42    43    46    47    48    53    49    50    41    44    51    52    56    75    84    88    90    91    92  
   42    43    46    49    51    84    90    91    92  
   44    45    51    52    56  
   43    46    47    48    53    54    55    59    49    50    51    84    90    91    92  
   46    47    48    53    49    50    90  
   45    51    52    56    57    58    62  
   51    52    56  
   47    48    53    54    55    59    60    61    64    49    50    90  
   48    53    54    55    59    49  
   53    54    55    59    49  
   50    53    90  
    0  
   52    56    57    58    62    63    67    90    73  
   56    57    58    62  
   54    55    59    60    61    64    65    66    70  
   55    59    60    61    64  
   59    60    61    64  
   57    58    62    63    67    68    69    75    73    74    80    82  
   58    62    63    67    73  
   62    63    67    73  
   60    61    64    65    66    70    71    72    76  
   61    64    65    66    70  
   64    65    66    70  
   63    67    68    69    75    84    98    73    74    80    81    85   102    82    83  
   67    68    69    75    73    74    80    82  
   65    66    70    71    72    76    77    78    79  
   66    70    71    72    76  
   70    71    72    76  
   68    69    75    84    88    95    98    99    90    73    74    80    82  
   69    75    84    98    73  
   75    84    98    73  
   71    72    76    77    78    79  
   72    76    77    78    79  
   76    77    78    79  
   74    80    81    85    86    87    93   100   102    82    83    75  
   80    81    85   102    82    83  
   84    88    89    95    98    99    90    91    92  
   77    78    79  
   78    79  
   79  
    0  
   81    85    86    87    93    94    96   100   101   102    82    83  
   85    86    87    93   100   102    82  
   83    85   102  
    0  
   88    89    95    98    99    90    91    92  
   86    87    93    94    96    97   100   102  
   87    93    94    96   102  
   93    94    96   102  
   89    95    98    99    90    91    92  
   95    98    90  
   91    92    95    98  
   92  
    0  
   94    96    97   100   101   102  
   96    97   100  
   98    99  
   97   100   101   102  
  100   101   102  
   99  
    0  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   92   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    73   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   317.000  1.510
   75    84   549.000  1.340
   75    98   320.000  1.462
   84    88   320.000  1.462
   84    90   317.000  1.510
   88    89   570.000  1.229
   88    95   214.000  1.327
   95    98   214.000  1.327
   98    99   570.000  1.229
   90    91   570.000  1.307
   90    92   340.000  1.090
   90    39   268.000  1.529
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   49    50   553.000  0.945
   73    74   340.000  1.090
   73    80   268.000  1.529
   73    82   320.000  1.410
   80    81   340.000  1.090
   80    85   268.000  1.529
   80   102   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   317.000  1.510
   93    94   340.000  1.080
   93    96   549.000  1.340
   96    97   340.000  1.080
   96   100   320.000  1.462
  100   101   570.000  1.229
  100   102   214.000  1.327
   82    83   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    51    44    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    56    58.35000  112.70000
   33    39    90    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    44   105.00000  110.06700
   41    37    38    83.00000  123.40000
   41    44    45    83.00000  123.40000
   41    44    51    81.00000  111.40000
   44    51    52    35.00000  109.50000
   44    51    56    63.00000  111.10000
   51    33    37    63.00000  111.10000
   51    44    45    80.00000  120.40000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   56    51    52    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    62    73    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    75    70.00000  112.02700
   62    73    74    37.50000  110.70000
   62    73    80    58.35000  112.70000
   62    73    82    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    75    84    70.00000  124.00000
   67    75    98    65.00000  116.34900
   69    67    68    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    69    35.00000  109.50000
   75    84    88    65.00000  118.96000
   75    84    90    70.00000  124.00000
   75    98    95    90.00000  111.29400
   75    98    99    80.00000  123.72100
   84    88    89    80.00000  123.72100
   84    88    95    90.00000  111.29400
   84    90    91    85.00000  110.90400
   84    90    92    35.00000  109.50000
   84    90    39    70.00000  112.02700
   88    95    98   105.00000  110.06700
   95    88    89    83.00000  123.40000
   95    98    99    83.00000  123.40000
   98    75    84    65.00000  118.96000
   90    84    88    65.00000  116.34900
   90    39    40    37.50000  110.70000
   90    39    42    58.35000  112.70000
   92    90    91    45.00000  125.66300
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    90    91    50.00000  109.50000
   39    90    92    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    46    58.35000  112.70000
   39    42    49    50.00000  109.50000
   42    39    40    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    53    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
   73    62    63    37.50000  110.70000
   73    62    67    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    85    58.35000  112.70000
   73    80   102    50.00000  109.50000
   73    82    83    55.00000  108.50000
   80    73    74    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    93    70.00000  112.02700
   80   102   100    83.00000  116.90000
   85    80    81    37.50000  110.70000
   85    93    94    35.00000  117.00000
   85    93    96    70.00000  124.00000
   87    85    86    33.00000  107.80000
   93    85    86    35.00000  109.50000
   93    85    87    35.00000  109.50000
   93    96    97    35.00000  120.00000
   93    96   100    65.00000  118.96000
   96    93    94    35.00000  120.00000
   96   100   101    80.00000  123.72100
   96   100   102    90.00000  111.29400
  100    96    97    40.00000  117.72500
  102    80    81    35.00000  109.50000
  102    80    85    50.00000  109.50000
  102   100   101    83.00000  123.40000
   82    73    74    35.00000  109.50000
   82    73    80    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.40000  1.0 3.0
   29    33    51    44   0.56750  1.0 1.0
   29    33    51    44  -0.07550 -1.0 2.0
   29    33    51    44   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    56   0.44750  1.0 1.0
   29    33    51    56  -0.17800 -1.0 2.0
   29    33    51    56   0.20200  1.0 3.0
   29    33    39    90   0.44750  1.0 1.0
   29    33    39    90  -0.17800 -1.0 2.0
   29    33    39    90   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    37   -41    44   2.00000 -1.0 2.0
   33    51    56    57   0.15000  1.0 3.0
   33    51    56    58   0.15000  1.0 3.0
   33    51    56    62   0.56750  1.0 1.0
   33    51    56    62  -0.07550 -1.0 2.0
   33    51    56    62   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    46   0.56750  1.0 1.0
   33    39    42    46  -0.07550 -1.0 2.0
   33    39    42    46   0.20000  1.0 3.0
   33    39    42    49   0.86500  1.0 1.0
   33    39    42    49  -0.17500 -1.0 2.0
   33    39    42    49   0.20800  1.0 3.0
   37    33   -51    44   0.11950  1.0 1.0
   37    33   -51    44   0.20300 -1.0 2.0
   37    33   -51    44  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    56  -0.95700  1.0 1.0
   37    33    51    56  -0.18200 -1.0 2.0
   37    33    51    56   0.29450  1.0 3.0
   37    33    39    90  -0.95700  1.0 1.0
   37    33    39    90  -0.18200 -1.0 2.0
   37    33    39    90   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    41    44    45   3.00000 -1.0 2.0
   37    41   -44    51   2.00000 -1.0 2.0
   38    37    41    44   3.00000 -1.0 2.0
   41    44   -51    33   0.36750  1.0 3.0
   41    44    51    52   0.00000  1.0 1.0
   41    44    51    56   0.36750  1.0 3.0
   44    51    56    57  -0.11250  1.0 3.0
   44    51    56    58  -0.11250  1.0 3.0
   44    51    56    62  -0.95700  1.0 1.0
   44    51    56    62  -0.18200 -1.0 2.0
   44    51    56    62   0.29450  1.0 3.0
   45    44    51    33   0.30150 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    41   0.36750  1.0 3.0
   51    33    39    90   0.56750  1.0 1.0
   51    33    39    90  -0.07550 -1.0 2.0
   51    33    39    90   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    42   0.56750  1.0 1.0
   51    33    39    42  -0.07550 -1.0 2.0
   51    33    39    42   0.20000  1.0 3.0
   51    56    62    63   0.15000  1.0 3.0
   51    56    62    67   0.56750  1.0 1.0
   51    56    62    67  -0.07550 -1.0 2.0
   51    56    62    67   0.20000  1.0 3.0
   51    56    62    73   0.56750  1.0 1.0
   51    56    62    73  -0.07550 -1.0 2.0
   51    56    62    73   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62    67    75   0.34400  1.0 1.0
   56    62    67    75   0.09450 -1.0 2.0
   56    62    67    75   0.11100  1.0 3.0
   56    62    73    74   0.15000  1.0 3.0
   56    62    73    80   0.56750  1.0 1.0
   56    62    73    80  -0.07550 -1.0 2.0
   56    62    73    80   0.20000  1.0 3.0
   56    62    73    82   0.86500  1.0 1.0
   56    62    73    82  -0.17500 -1.0 2.0
   56    62    73    82   0.20800  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    62    73   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    67   0.15000  1.0 3.0
   58    56    62    73   0.15000  1.0 3.0
   62    67    75    84   0.09850  1.0 1.0
   62    67    75    84   0.15250 -1.0 2.0
   62    67    75    84  -0.50650  1.0 3.0
   62    67    75    98   0.09700  1.0 1.0
   62    67    75    98   0.15600 -1.0 2.0
   62    67    75    98  -0.50800  1.0 3.0
   62    73    80    81   0.15000  1.0 3.0
   62    73    80    85   0.56750  1.0 1.0
   62    73    80    85  -0.07550 -1.0 2.0
   62    73    80    85   0.20000  1.0 3.0
   62    73    80   102   0.62750  1.0 1.0
   62    73    80   102  -0.30950 -1.0 2.0
   62    73    80   102   0.27300  1.0 3.0
   62    73    82    83  -0.11600  1.0 1.0
   62    73    82    83  -0.09450 -1.0 2.0
   62    73    82    83   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    75   0.15000  1.0 3.0
   63    62    73    74   0.15000  1.0 3.0
   63    62    73    80   0.15000  1.0 3.0
   63    62    73    82   0.23400  1.0 3.0
   67    62    73    74   0.15000  1.0 3.0
   67    62    73    80   0.56750  1.0 1.0
   67    62    73    80  -0.07550 -1.0 2.0
   67    62    73    80   0.20000  1.0 3.0
   67    62    73    82   0.86500  1.0 1.0
   67    62    73    82  -0.17500 -1.0 2.0
   67    62    73    82   0.20800  1.0 3.0
   67    75    84    88   7.00000 -1.0 2.0
   67    75    84    90   7.00000 -1.0 2.0
   67    75    98    95  -0.15000  1.0 1.0
   67    75    98    95   0.89550 -1.0 2.0
   67    75    98    95  -0.06900  1.0 3.0
   67    75    98    99  -0.64400  1.0 1.0
   67    75    98    99   0.26850 -1.0 2.0
   68    67    75    84   0.00000  1.0 1.0
   68    67    75    98   0.15000  1.0 3.0
   69    67    75    84   0.00000  1.0 1.0
   69    67    75    98   0.15000  1.0 3.0
   75    84    88    89   1.00000 -1.0 2.0
   75    84   -88    95  -0.56150  1.0 1.0
   75    84   -88    95   2.19150 -1.0 2.0
   75    84    90    91   0.39000  1.0 1.0
   75    84    90    91  -0.05800 -1.0 2.0
   75    84    90    91  -0.55150  1.0 3.0
   75    84    90    92   0.00000  1.0 1.0
   75    84    90    39   0.09850  1.0 1.0
   75    84    90    39   0.15250 -1.0 2.0
   75    84    90    39  -0.50650  1.0 3.0
   84    75   -98    95  -0.56150  1.0 1.0
   84    75   -98    95   2.19150 -1.0 2.0
   84    75    98    99   1.00000 -1.0 2.0
   84    88   -95    98   2.00000 -1.0 2.0
   84    90    39    33   0.34400  1.0 1.0
   84    90    39    33   0.09450 -1.0 2.0
   84    90    39    33   0.11100  1.0 3.0
   84    90    39    40   0.15000  1.0 3.0
   84    90    39    42   0.34400  1.0 1.0
   84    90    39    42   0.09450 -1.0 2.0
   84    90    39    42   0.11100  1.0 3.0
   88    84    90    91   0.09700  1.0 1.0
   88    84    90    91   0.15600 -1.0 2.0
   88    84    90    91  -0.50800  1.0 3.0
   88    84    90    92   0.15000  1.0 3.0
   88    84    90    39   0.09700  1.0 1.0
   88    84    90    39   0.15600 -1.0 2.0
   88    84    90    39  -0.50800  1.0 3.0
   88    95   -98    75   2.00000 -1.0 2.0
   88    95    98    99   3.00000 -1.0 2.0
   89    88    95    98   3.00000 -1.0 2.0
   98    75   -84    88   7.00000 -1.0 2.0
   98    75    84    90   7.00000 -1.0 2.0
   90    84    88    89  -0.64400  1.0 1.0
   90    84    88    89   0.26850 -1.0 2.0
   90    84    88    95  -0.15000  1.0 1.0
   90    84    88    95   0.89550 -1.0 2.0
   90    84    88    95  -0.06900  1.0 3.0
   90    39    42    43   0.15000  1.0 3.0
   90    39    42    46   0.56750  1.0 1.0
   90    39    42    46  -0.07550 -1.0 2.0
   90    39    42    46   0.20000  1.0 3.0
   90    39    42    49   0.86500  1.0 1.0
   90    39    42    49  -0.17500 -1.0 2.0
   90    39    42    49   0.20800  1.0 3.0
   91    90    39    33   0.62750  1.0 1.0
   91    90    39    33  -0.30950 -1.0 2.0
   91    90    39    33   0.27300  1.0 3.0
   91    90    39    40   0.23400  1.0 3.0
   91    90    39    42   0.62750  1.0 1.0
   91    90    39    42  -0.30950 -1.0 2.0
   91    90    39    42   0.27300  1.0 3.0
   92    90    39    33   0.15000  1.0 3.0
   92    90    39    40   0.15000  1.0 3.0
   92    90    39    42   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    51    44  -0.95700  1.0 1.0
   39    33    51    44  -0.18200 -1.0 2.0
   39    33    51    44   0.29450  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    56   0.56750  1.0 1.0
   39    33    51    56  -0.07550 -1.0 2.0
   39    33    51    56   0.20000  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    53   0.56750  1.0 1.0
   39    42    46    53  -0.07550 -1.0 2.0
   39    42    46    53   0.20000  1.0 3.0
   39    42    49    50  -0.11600  1.0 1.0
   39    42    49    50  -0.09450 -1.0 2.0
   39    42    49    50   0.21250  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    46   0.15000  1.0 3.0
   40    39    42    49   0.23400  1.0 3.0
   42    46    53    54   0.15000  1.0 3.0
   42    46    53    55   0.15000  1.0 3.0
   42    46    53    59   0.56750  1.0 1.0
   42    46    53    59  -0.07550 -1.0 2.0
   42    46    53    59   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    53   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   46    42    49    50  -0.11600  1.0 1.0
   46    42    49    50  -0.09450 -1.0 2.0
   46    42    49    50   0.21250  1.0 3.0
   46    53    59    60   0.15000  1.0 3.0
   46    53    59    61   0.15000  1.0 3.0
   46    53    59    64   0.56750  1.0 1.0
   46    53    59    64  -0.07550 -1.0 2.0
   46    53    59    64   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    59   0.15000  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    55   0.15000  1.0 3.0
   48    46    53    59   0.15000  1.0 3.0
   53    59    64    65   0.15000  1.0 3.0
   53    59    64    66   0.15000  1.0 3.0
   53    59    64    70   0.56750  1.0 1.0
   53    59    64    70  -0.07550 -1.0 2.0
   53    59    64    70   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    64   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    64   0.15000  1.0 3.0
   59    64    70    71   0.15000  1.0 3.0
   59    64    70    72   0.15000  1.0 3.0
   59    64    70    76   0.56750  1.0 1.0
   59    64    70    76  -0.07550 -1.0 2.0
   59    64    70    76   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    70   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    70   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    79   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   49    42    46    47   0.23400  1.0 3.0
   49    42    46    48   0.23400  1.0 3.0
   49    42    46    53   0.86500  1.0 1.0
   49    42    46    53  -0.17500 -1.0 2.0
   49    42    46    53   0.20800  1.0 3.0
   73    62    67    68   0.15000  1.0 3.0
   73    62    67    69   0.15000  1.0 3.0
   73    62    67    75   0.34400  1.0 1.0
   73    62    67    75   0.09450 -1.0 2.0
   73    62    67    75   0.11100  1.0 3.0
   73    80    85    86   0.15000  1.0 3.0
   73    80    85    87   0.15000  1.0 3.0
   73    80    85    93   0.34400  1.0 1.0
   73    80    85    93   0.09450 -1.0 2.0
   73    80    85    93   0.11100  1.0 3.0
   73    80   102   100  -0.25900  1.0 1.0
   73    80   102   100  -0.47000 -1.0 2.0
   73    80   102   100   0.11750  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    85   0.15000  1.0 3.0
   74    73    80   102   0.23400  1.0 3.0
   74    73    82    83   0.19450  1.0 3.0
   80    73    82    83  -0.11600  1.0 1.0
   80    73    82    83  -0.09450 -1.0 2.0
   80    73    82    83   0.21250  1.0 3.0
   80    85    93    94   0.00000  1.0 1.0
   80    85    93    96   0.09850  1.0 1.0
   80    85    93    96   0.15250 -1.0 2.0
   80    85    93    96  -0.50650  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    93   0.15000  1.0 3.0
   81    80   102   100   0.08050  1.0 3.0
   85    80   102   100  -0.25900  1.0 1.0
   85    80   102   100  -0.47000 -1.0 2.0
   85    80   102   100   0.11750  1.0 3.0
   85    93    96    97   7.00000 -1.0 2.0
   85    93   -96   100   7.00000 -1.0 2.0
   86    85    93    94   0.33100  1.0 3.0
   86    85    93    96   0.00000  1.0 1.0
   87    85    93    94   0.33100  1.0 3.0
   87    85    93    96   0.00000  1.0 1.0
   93    96   100   101   1.00000 -1.0 2.0
   93    96   100   102  -0.56150  1.0 1.0
   93    96   100   102   2.19150 -1.0 2.0
   94    93    96    97   7.00000 -1.0 2.0
   94    93    96   100   7.00000 -1.0 2.0
   96   100  -102    80   2.00000 -1.0 2.0
   97    96   100   101   0.00000  1.0 1.0
   97    96   100   102   1.63100 -1.0 2.0
  101   100   102    80   3.00000 -1.0 2.0
  102    80    85    86   0.23400  1.0 3.0
  102    80    85    87   0.23400  1.0 3.0
  102    80   -85    93   0.61850  1.0 1.0
  102    80   -85    93  -0.22750 -1.0 2.0
  102    80   -85    93   0.15300  1.0 3.0
   82    73    80    81   0.23400  1.0 3.0
   82    73    80    85   0.86500  1.0 1.0
   82    73    80    85  -0.17500 -1.0 2.0
   82    73    80    85   0.20800  1.0 3.0
   82    73    80   102   3.69350  1.0 1.0
   82    73    80   102  -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   41    51    44    45  10.50000 -1.0 2.0
   67    98    75    84   1.10000 -1.0 2.0
   88    90    84    75   1.10000 -1.0 2.0
   84    95    88    89  10.50000 -1.0 2.0
   75    95    98    99  10.50000 -1.0 2.0
   85    94    93    96   1.10000 -1.0 2.0
  100    97    96    93   1.10000 -1.0 2.0
   96   102   100   101  10.50000 -1.0 2.0
END
