* LIGAND DATABASE FILE (OPLS2005)
*
001     102   103    184    268     533
    1     0 S   NP   _N1_     1    28.26246    95.92870   -23.97982
    2     1 S   H    _HN1     2     1.02957    80.51522    -1.30716
    3     1 S   H    _H1_     3     1.02835    27.99842   160.04960
    4     1 S   H    _H2_     4     1.02776   109.08653  -107.55212
    5     1 S   CT   _CA1     5     1.50134   130.33027   107.43850
    6     5 S   HC   _HA1     6     1.09575   105.20866    82.70674
    7     5 S   CO3  _C1_     7     1.53784   112.36542   -37.46108
    8     7 S   O2Z  _O11     8     1.26365   115.00098   -43.73387
    9     7 S   O2Z  _O12     9     1.26237   114.93098   135.33728
   10     5 S   CT   _CB1    10     1.53092   107.41370  -159.40042
   11    10 S   HC   HB11    11     1.09827   109.31005   -50.56479
   12    10 S   HC   HB12    12     1.09816   110.43220    65.98207
   13    10 S   CT   _CG1    13     1.53018   112.68671  -171.64610
   14    13 S   HC   HG11    14     1.09594   110.48123   -64.62346
   15    13 S   HC   HG12    15     1.09656   109.93091    54.58533
   16    13 S   C    _CD1    16     1.51834   112.30465   174.92526
   17    16 S   O    _OE1    17     1.22762   123.28925    -0.00000
   18    16 S   N    _N2_    18     1.38583   111.72216  -179.95154
   19    18 S   H    _HN2    19     1.01556   119.07341     4.50502
   20    18 S   CT1  _CA2    20     1.45683   122.74984   177.93474
   21    20 S   HC   _HA2    21     1.09668   108.73964    22.61686
   22    20 S   C    _C2_    22     1.52991   107.74139   -93.80148
   23    22 S   O    _O2_    23     1.22924   123.26951   -21.73110
   24    20 S   CT   _CB2    32     1.53142   112.30684   145.51846
   25    24 S   HC   HB21    33     1.09579   110.76275    51.53567
   26    24 S   HC   HB22    34     1.09365   109.62676   170.26169
   27    22 S   N    _N3_    24     1.38563   112.25475   160.60847
   28    27 S   H    _HN3    25     1.01634   120.24244    -1.55154
   29    24 S   S    _SG2    35     1.82767   110.99861   -69.10522
   30    27 S   CT   _CA3    26     1.45297   122.85116   178.52701
   31    30 S   HC   HA31    27     1.09558   107.93272   -53.28104
   32    30 S   HC   HA32    28     1.09548   107.55518    63.15036
   33    29 S   CT   _C13    36     1.84815    99.90376  -167.53887
   34    33 S   HC   _H7_    37     1.10144   101.59269   -48.54995
   35    30 S   CO3  _C3_    29     1.52962   114.09608  -175.22726
   36    35 S   O2Z  _O31    30     1.26358   116.05666    -0.52934
   37    35 S   O2Z  _O32    31     1.26427   114.41588   179.43421
   38    33 S   CM   _C12    38     1.52860   111.52858    63.32244
   39    38 S   HC   _H14    39     1.09291   110.14457  -129.41612
   40    33 S   CT   _C14    56     1.58735   111.87269  -161.51673
   41    40 S   OM   _O33    57     1.32705   108.41361   157.51970
   42    40 S   HC   _H8_    58     1.10187   105.10580    33.10429
   43    38 S   CM   _C11    40     1.35401   132.81379    48.38188
   44    43 S   CT   _C10    41     1.52004   128.43033     4.94681
   45    44 S   HC   _H6_    42     1.09021   110.22185     6.16561
   46    43 S   CO4  _C15    96     1.49524   113.30703  -177.39301
   47    46 S   O    _O34    97     1.22272   124.26597   -41.36493
   48    44 S   CT   _C9_    43     1.56587   115.76047   128.62503
   49    48 S   HC   _H5_    44     1.09702   108.71545    76.43835
   50    44 S   OS   _O36    89     1.45631   107.01943  -111.43280
   51    46 S   OS   _O35    98     1.35765   109.51631   138.23514
   52    48 S   CT   _C8_    45     1.54929   115.51427   -45.96053
   53    52 S   HC   _H4_    46     1.09833   108.75965    58.25703
   54    48 S   OS   _O38    66     1.45863   107.68309  -165.34158
   55    50 S   CO4  _C17    90     1.35969   119.42400   131.88766
   56    55 S   O    _O37    91     1.22240   126.61269    -0.33455
   57    51 S   CT   _C16    99     1.43000   115.55691  -178.52594
   58    57 S   HC   _H15   100     1.09326   108.09058   179.28783
   59    57 S   HC   _H16   101     1.09421   110.31241    60.58739
   60    57 S   HC   _H17   102     1.09417   110.22968   -62.02787
   61    52 S   CM   _C26    47     1.49507   117.86863   177.10376
   62    54 S   CO4  _C19    67     1.36202   119.19564  -100.32280
   63    62 S   O    _O39    68     1.22570   125.33456     0.81685
   64    55 S   CT   _C18    92     1.49827   109.53213   178.17780
   65    64 S   HC   _H18    93     1.09243   109.68741   -73.10795
   66    64 S   HC   _H19    94     1.09373   109.30499   167.12350
   67    64 S   HC   _H20    95     1.09278   110.12043    48.64128
   68    61 S   CO4  _C28    48     1.48060   108.13262   150.98971
   69    68 S   O    _O43    49     1.21757   126.97290   168.43283
   70    61 S   CM   _C27    63     1.33516   130.33936   -29.39584
   71    70 S   HC   _H31    64     1.08439   121.34128    -0.22985
   72    70 S   HC   _H32    65     1.08536   121.59520  -179.95154
   73    62 S   CT   _C20    69     1.53375   111.27748  -177.82516
   74    68 S   OS   _O44    50     1.36497   107.16554   -10.26481
   75    73 S   CT   _C21    70     1.53131   110.97603   -50.11873
   76    75 S   HC   _H21    71     1.09625   110.66415  -178.23065
   77    75 S   HC   _H22    72     1.09463   112.76307    60.38382
   78    75 S   HC   _H23    73     1.09479   110.69779   -60.94218
   79    73 S   CT   _C22    74     1.54715   112.70246    75.09216
   80    79 S   HC   _H9_    75     1.09886   107.33071   174.57317
   81    73 S   OH   _O42    87     1.43180   107.10297  -165.31423
   82    81 S   HO   _H30    88     0.97280   108.28942   -51.27707
   83    52 S   CT   _C7_    51     1.53334   115.68866   -66.26502
   84    83 S   HC   _H3_    52     1.09335   111.87715   -42.88760
   85    79 S   CT   _C23    76     1.52879   114.12486    55.96957
   86    85 S   HC   _H24    77     1.09286   111.49576   -60.99806
   87    85 S   HC   _H25    78     1.09361   111.69884    60.75324
   88    85 S   HC   _H26    79     1.09534   110.51209  -179.03612
   89    79 S   OS   _O40    80     1.44465   109.51690   -66.49097
   90    83 S   CM   _C6_    53     1.49695   109.74262    82.99558
   91    90 S   HC   _H13    54     1.09014   113.39691    53.14734
   92    89 S   CO4  _C24    81     1.36312   117.32317  -146.38468
   93    92 S   O    _O41    82     1.22341   126.39662    -2.03413
   94    90 S   CM   _C5_    55     1.35178   127.61927  -116.03913
   95    92 S   CT   _C25    83     1.49789   109.81317   179.01921
   96    95 S   HC   _H27    84     1.09313   110.15110   -46.59237
   97    95 S   HC   _H28    85     1.09379   109.26861  -164.89978
   98    95 S   HC   _H29    86     1.09146   109.67864    75.47916
   99    94 S   CT   _C4_    59     1.51018   123.03319   -14.50821
  100    99 S   HC   _H10    60     1.09309   111.04722   106.15392
  101    99 S   HC   _H11    61     1.09263   113.15435   -15.61931
  102    99 S   HC   _H12    62     1.09563   109.98798  -133.89928
  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   9   5   4   3
  12   7   2   1   1  13   4  11   4   3  12  16   7   8   2  16
   7   8   4  15   8   8   5   4   3   2   1   1   9  12   4   3
   2   1   1   8   3   4   1   1  14   5   9   4   3   2  11   7
   3   1   5   3   5   3   2   1   6   6   2   5   4   4   3   2
   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    94    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    90    94    40    41    42    99    46  
   38    39    43    94    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    48    94    40    41    42    50    46    47    51  
   43    44    40    46  
   41    42    99   100   101   102    43    83    90    91    94  
   42    99    90    94  
   99    90    94  
   44    45    48    49    52    54    50    55    46    47    51    57  
   45    48    49    52    53    61    83    54    62    50    55    56    64    46    47    51  
   48    49    52    54    50    55    46  
   47    51    57    58    59    60    48    50  
   51    57  
   49    52    53    61    68    74    83    84    90    70    54    62    63    73    50    55  
   52    53    61    83    54    62    50  
   55    56    64    65    66    67    52    54  
   57    58    59    60  
   53    61    68    69    74    83    84    90    91    94    70    71    72    54    62  
   61    68    74    83    84    90    70    54  
   62    63    73    75    79    81    61    83  
   56    64    65    66    67  
   64    65    66    67  
   58    59    60  
   59    60  
   60  
    0  
   68    69    74    83    84    90    70    71    72  
   63    73    75    76    77    78    79    80    85    89    81    82  
   73    75    79    81  
   65    66    67  
   66    67  
   67  
    0  
   69    74    83    84    90    70    71    72  
   74    83    70  
   71    72    74    83  
   72  
    0  
   75    76    77    78    79    80    85    86    87    88    89    92    81    82  
   83    84    90    91    94  
   76    77    78    79    80    85    89    81    82  
   77    78    79    81  
   78    79    81  
   79    81  
   80    85    86    87    88    89    92    93    95    81    82  
   85    86    87    88    89    92    81  
   82    85    89  
    0  
   84    90    91    94    99  
   90    91    94  
   86    87    88    89    92  
   87    88    89  
   88    89  
   89  
   92    93    95    96    97    98  
   91    94    99   100   101   102  
   94    99  
   93    95    96    97    98  
   95    96    97    98  
   99   100   101   102  
   96    97    98  
   97    98  
   98  
    0  
  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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   317.000  1.510
   43    46   320.000  1.462
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    61   317.000  1.510
   52    83   268.000  1.529
   61    68   320.000  1.462
   61    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    83   320.000  1.410
   83    84   340.000  1.090
   83    90   317.000  1.510
   90    91   340.000  1.080
   90    94   549.000  1.340
   94    40   317.000  1.510
   94    99   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   54    62   214.000  1.327
   62    63   570.000  1.229
   62    73   317.000  1.522
   73    75   268.000  1.529
   73    79   268.000  1.529
   73    81   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    85   268.000  1.529
   79    89   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    92   214.000  1.327
   92    93   570.000  1.229
   92    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   81    82   553.000  0.945
   50    55   214.000  1.327
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   570.000  1.229
   46    51   214.000  1.327
   51    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    94    70.00000  112.02700
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    70.00000  124.00000
   38    43    46    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    44    45    35.00000  109.50000
   43    44    48    70.00000  112.02700
   43    44    50    85.00000  110.90400
   43    46    47    80.00000  123.72100
   43    46    51    90.00000  111.29400
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    55    83.00000  116.90000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    61    70.00000  112.02700
   48    52    83    58.35000  112.70000
   48    54    62    83.00000  116.90000
   52    48    49    37.50000  110.70000
   52    61    68    65.00000  116.34900
   52    61    70    70.00000  124.00000
   52    83    74    50.00000  109.50000
   52    83    84    37.50000  110.70000
   52    83    90    70.00000  112.02700
   61    52    53    35.00000  109.50000
   61    68    69    80.00000  123.72100
   61    68    74    90.00000  111.29400
   61    70    71    35.00000  120.00000
   61    70    72    35.00000  120.00000
   68    74    83    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    83    84    35.00000  109.50000
   74    83    90    85.00000  110.90400
   83    52    53    37.50000  110.70000
   83    52    61    70.00000  112.02700
   83    90    91    35.00000  117.00000
   83    90    94    70.00000  124.00000
   90    83    84    35.00000  109.50000
   90    94    40    70.00000  124.00000
   90    94    99    70.00000  124.00000
   94    90    91    35.00000  120.00000
   94    40    41    85.00000  110.90400
   94    40    42    35.00000  109.50000
   94    99   100    35.00000  109.50000
   94    99   101    35.00000  109.50000
   94    99   102    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
   99    94    40    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   70    61    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    62    63    83.00000  123.40000
   54    62    73    81.00000  111.40000
   62    73    75    63.00000  111.10000
   62    73    79    63.00000  111.10000
   62    73    81    90.00000  109.61100
   73    62    63    80.00000  120.40000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    85    58.35000  112.70000
   73    79    89    50.00000  109.50000
   73    81    82    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    75    58.35000  112.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   79    89    92    83.00000  116.90000
   85    79    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    79    80    35.00000  109.50000
   89    79    85    50.00000  109.50000
   89    92    93    83.00000  123.40000
   89    92    95    81.00000  111.40000
   92    95    96    35.00000  109.50000
   92    95    97    35.00000  109.50000
   92    95    98    35.00000  109.50000
   95    92    93    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   81    73    75    50.00000  109.50000
   81    73    79    50.00000  109.50000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    55    56    83.00000  123.40000
   50    55    64    81.00000  111.40000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   64    55    56    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    43    44    65.00000  116.34900
   46    51    57    83.00000  116.90000
   51    46    47    83.00000  123.40000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    94   0.56750  1.0 1.0
   29    33    40    94  -0.07550 -1.0 2.0
   29    33    40    94   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    46   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    94   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    94   0.31000  1.0 1.0
   38    33    40    94   0.14700 -1.0 2.0
   38    33    40    94   0.07550  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    45   0.00000  1.0 1.0
   38    43    44    48   0.09850  1.0 1.0
   38    43    44    48   0.15250 -1.0 2.0
   38    43    44    48  -0.50650  1.0 3.0
   38    43    44    50   0.39000  1.0 1.0
   38    43    44    50  -0.05800 -1.0 2.0
   38    43    44    50  -0.55150  1.0 3.0
   38    43    46    47   1.00000 -1.0 2.0
   38    43    46    51  -0.56150  1.0 1.0
   38    43    46    51   2.19150 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    46   7.00000 -1.0 2.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    52   0.34400  1.0 1.0
   43    44    48    52   0.09450 -1.0 2.0
   43    44    48    52   0.11100  1.0 3.0
   43    44    48    54   0.61850  1.0 1.0
   43    44    48    54  -0.22750 -1.0 2.0
   43    44    48    54   0.15300  1.0 3.0
   43    44    50    55  -0.82050  1.0 1.0
   43    44    50    55   0.00600 -1.0 2.0
   43    44    50    55   0.04400  1.0 3.0
   43    46    51    57   2.00000 -1.0 2.0
   44    43    46    47  -0.64400  1.0 1.0
   44    43    46    47   0.26850 -1.0 2.0
   44    43    46    51  -0.15000  1.0 1.0
   44    43    46    51   0.89550 -1.0 2.0
   44    43    46    51  -0.06900  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    61   0.34400  1.0 1.0
   44    48    52    61   0.09450 -1.0 2.0
   44    48    52    61   0.11100  1.0 3.0
   44    48    52    83   0.56750  1.0 1.0
   44    48    52    83  -0.07550 -1.0 2.0
   44    48    52    83   0.20000  1.0 3.0
   44    48    54    62  -0.25900  1.0 1.0
   44    48    54    62  -0.47000 -1.0 2.0
   44    48    54    62   0.11750  1.0 3.0
   44    50    55    56   3.00000 -1.0 2.0
   44    50    55    64   1.63150  1.0 1.0
   44    50    55    64   2.92000 -1.0 2.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    55   0.08050  1.0 3.0
   48    44    50    55  -0.25900  1.0 1.0
   48    44    50    55  -0.47000 -1.0 2.0
   48    44    50    55   0.11750  1.0 3.0
   48    52    61    68   0.09700  1.0 1.0
   48    52    61    68   0.15600 -1.0 2.0
   48    52    61    68  -0.50800  1.0 3.0
   48    52    61    70   0.09850  1.0 1.0
   48    52    61    70   0.15250 -1.0 2.0
   48    52    61    70  -0.50650  1.0 3.0
   48    52    83    74   0.62750  1.0 1.0
   48    52    83    74  -0.30950 -1.0 2.0
   48    52    83    74   0.27300  1.0 3.0
   48    52    83    84   0.15000  1.0 3.0
   48    52    83    90   0.34400  1.0 1.0
   48    52    83    90   0.09450 -1.0 2.0
   48    52    83    90   0.11100  1.0 3.0
   48    54    62    63   3.00000 -1.0 2.0
   48    54    62    73   1.63150  1.0 1.0
   48    54    62    73   2.92000 -1.0 2.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   49    48    52    83   0.15000  1.0 3.0
   49    48    54    62   0.08050  1.0 3.0
   52    48    54    62  -0.25900  1.0 1.0
   52    48    54    62  -0.47000 -1.0 2.0
   52    48    54    62   0.11750  1.0 3.0
   52    61    68    69  -0.64400  1.0 1.0
   52    61    68    69   0.26850 -1.0 2.0
   52    61   -68    74  -0.15000  1.0 1.0
   52    61   -68    74   0.89550 -1.0 2.0
   52    61   -68    74  -0.06900  1.0 3.0
   52    61    70    71   7.00000 -1.0 2.0
   52    61    70    72   7.00000 -1.0 2.0
   52    83    90    91   0.00000  1.0 1.0
   52    83    90    94   0.09850  1.0 1.0
   52    83    90    94   0.15250 -1.0 2.0
   52    83    90    94  -0.50650  1.0 3.0
   53    52    61    68   0.15000  1.0 3.0
   53    52    61    70   0.00000  1.0 1.0
   53    52    83    74   0.23400  1.0 3.0
   53    52    83    84   0.15000  1.0 3.0
   53    52    83    90   0.15000  1.0 3.0
   61    52   -83    74   0.61850  1.0 1.0
   61    52   -83    74  -0.22750 -1.0 2.0
   61    52   -83    74   0.15300  1.0 3.0
   61    52    83    84   0.15000  1.0 3.0
   61    52    83    90   0.31000  1.0 1.0
   61    52    83    90   0.14700 -1.0 2.0
   61    52    83    90   0.07550  1.0 3.0
   61    68   -74    83   2.00000 -1.0 2.0
   68    61    70    71   7.00000 -1.0 2.0
   68    61    70    72   7.00000 -1.0 2.0
   68    74   -83    52  -0.25900  1.0 1.0
   68    74   -83    52  -0.47000 -1.0 2.0
   68    74   -83    52   0.11750  1.0 3.0
   68    74    83    84   0.08050  1.0 3.0
   68    74    83    90  -0.82050  1.0 1.0
   68    74    83    90   0.00600 -1.0 2.0
   68    74    83    90   0.04400  1.0 3.0
   69    68    74    83   3.00000 -1.0 2.0
   74    83    90    91   0.00000  1.0 1.0
   74    83    90    94   0.39000  1.0 1.0
   74    83    90    94  -0.05800 -1.0 2.0
   74    83    90    94  -0.55150  1.0 3.0
   83    52   -61    68   0.09700  1.0 1.0
   83    52   -61    68   0.15600 -1.0 2.0
   83    52   -61    68  -0.50800  1.0 3.0
   83    52    61    70   0.09850  1.0 1.0
   83    52    61    70   0.15250 -1.0 2.0
   83    52    61    70  -0.50650  1.0 3.0
   83    90    94    40   7.00000 -1.0 2.0
   83    90    94    99   7.00000 -1.0 2.0
   84    83    90    91   0.33100  1.0 3.0
   84    83    90    94   0.00000  1.0 1.0
   90    94    40    33   0.09850  1.0 1.0
   90    94    40    33   0.15250 -1.0 2.0
   90    94    40    33  -0.50650  1.0 3.0
   90    94    40    41   0.39000  1.0 1.0
   90    94    40    41  -0.05800 -1.0 2.0
   90    94    40    41  -0.55150  1.0 3.0
   90    94    40    42   0.00000  1.0 1.0
   90    94    99   100   0.00000  1.0 1.0
   90    94    99   101   0.00000  1.0 1.0
   90    94    99   102   0.00000  1.0 1.0
   91    90    94    40   7.00000 -1.0 2.0
   91    90    94    99   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    94    99   100   0.34800  1.0 3.0
   40    94    99   101   0.34800  1.0 3.0
   40    94    99   102   0.34800  1.0 3.0
   99    94    40    33   0.46850  1.0 1.0
   99    94    40    33   0.08550 -1.0 2.0
   99    94    40    33   0.09800  1.0 3.0
   99    94    40    41   0.09700  1.0 1.0
   99    94    40    41   0.15600 -1.0 2.0
   99    94    40    41  -0.50800  1.0 3.0
   99    94    40    42   0.34800  1.0 3.0
   70    61    68    69   1.00000 -1.0 2.0
   70    61    68    74  -0.56150  1.0 1.0
   70    61    68    74   2.19150 -1.0 2.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    61   0.61850  1.0 1.0
   54    48    52    61  -0.22750 -1.0 2.0
   54    48    52    61   0.15300  1.0 3.0
   54    48    52    83   0.62750  1.0 1.0
   54    48    52    83  -0.30950 -1.0 2.0
   54    48    52    83   0.27300  1.0 3.0
   54    62    73    75   0.36750  1.0 3.0
   54    62    73    79   0.36750  1.0 3.0
   54    62    73    81   0.30750  1.0 1.0
   54    62    73    81   1.13850 -1.0 2.0
   54    62    73    81   0.38850  1.0 3.0
   62    73    75    76  -0.11250  1.0 3.0
   62    73    75    77  -0.11250  1.0 3.0
   62    73    75    78  -0.11250  1.0 3.0
   62    73    79    80  -0.11250  1.0 3.0
   62    73    79    85  -0.95700  1.0 1.0
   62    73    79    85  -0.18200 -1.0 2.0
   62    73    79    85   0.29450  1.0 3.0
   62    73    79    89  -0.09450  1.0 1.0
   62    73    79    89  -1.12950 -1.0 2.0
   62    73    79    89   0.54000  1.0 3.0
   62    73    81    82   0.91850  1.0 1.0
   62    73    81    82   0.57950  1.0 3.0
   63    62    73    75   0.30150 -1.0 2.0
   63    62    73    79   0.30150 -1.0 2.0
   63    62    73    81   0.30150 -1.0 2.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   73    79    89    92  -0.25900  1.0 1.0
   73    79    89    92  -0.47000 -1.0 2.0
   73    79    89    92   0.11750  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    85   0.56750  1.0 1.0
   75    73    79    85  -0.07550 -1.0 2.0
   75    73    79    85   0.20000  1.0 3.0
   75    73    79    89   0.62750  1.0 1.0
   75    73    79    89  -0.30950 -1.0 2.0
   75    73    79    89   0.27300  1.0 3.0
   75    73    81    82  -0.11600  1.0 1.0
   75    73    81    82  -0.09450 -1.0 2.0
   75    73    81    82   0.21250  1.0 3.0
   79    73    75    76   0.15000  1.0 3.0
   79    73    75    77   0.15000  1.0 3.0
   79    73    75    78   0.15000  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   79    89    92    93   3.00000 -1.0 2.0
   79    89    92    95   1.63150  1.0 1.0
   79    89    92    95   2.92000 -1.0 2.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   80    79    89    92   0.08050  1.0 3.0
   85    79    89    92  -0.25900  1.0 1.0
   85    79    89    92  -0.47000 -1.0 2.0
   85    79    89    92   0.11750  1.0 3.0
   89    79    85    86   0.23400  1.0 3.0
   89    79    85    87   0.23400  1.0 3.0
   89    79    85    88   0.23400  1.0 3.0
   89    92    95    96   0.00000  1.0 1.0
   89    92    95    97   0.00000  1.0 1.0
   89    92    95    98   0.00000  1.0 1.0
   93    92    95    96   0.00000  1.0 1.0
   93    92    95    97   0.00000  1.0 1.0
   93    92    95    98   0.00000  1.0 1.0
   81    73    75    76   0.23400  1.0 3.0
   81    73    75    77   0.23400  1.0 3.0
   81    73    75    78   0.23400  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    85   0.86500  1.0 1.0
   81    73    79    85  -0.17500 -1.0 2.0
   81    73    79    85   0.20800  1.0 3.0
   81    73    79    89   3.69350  1.0 1.0
   81    73    79    89  -1.82950 -1.0 2.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.62750  1.0 1.0
   50    44    48    52  -0.30950 -1.0 2.0
   50    44    48    52   0.27300  1.0 3.0
   50    44    48    54   1.11900  1.0 1.0
   50    44    48    54  -1.16350 -1.0 2.0
   50    44    48    54  -0.34150  1.0 3.0
   50    55    64    65   0.00000  1.0 1.0
   50    55    64    66   0.00000  1.0 1.0
   50    55    64    67   0.00000  1.0 1.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    67   0.00000  1.0 1.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    48   0.09700  1.0 1.0
   46    43    44    48   0.15600 -1.0 2.0
   46    43    44    48  -0.50800  1.0 3.0
   46    43    44    50   0.09700  1.0 1.0
   46    43    44    50   0.15600 -1.0 2.0
   46    43    44    50  -0.50800  1.0 3.0
   46    51    57    58   0.08050  1.0 3.0
   46    51    57    59   0.08050  1.0 3.0
   46    51    57    60   0.08050  1.0 3.0
   47    46    51    57   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   46    44    43    38   1.10000 -1.0 2.0
   52    68    61    70   1.10000 -1.0 2.0
   61    74    68    69  10.50000 -1.0 2.0
   83    91    90    94   1.10000 -1.0 2.0
   40    99    94    90   1.10000 -1.0 2.0
   71    72    70    61   1.10000 -1.0 2.0
   54    73    62    63  10.50000 -1.0 2.0
   89    95    92    93  10.50000 -1.0 2.0
   50    64    55    56  10.50000 -1.0 2.0
   43    51    46    47  10.50000 -1.0 2.0
END
