* LIGAND DATABASE FILE (OPLS2005)
*
001     109   108    192    282     564
    1     0 S   NP   _N1_     1    30.23892    98.63553   -20.29610
    2     1 S   H    _HN1     2     1.03378   131.15011  -123.68358
    3     1 S   H    _H1_     3     1.02713    29.45939   -79.45351
    4     1 S   H    _H2_     4     1.03340    81.89639   130.95287
    5     1 S   CT   _CA1     5     1.50109   108.44532    22.31839
    6     5 S   HC   _HA1     6     1.09463   104.45041   143.84909
    7     5 S   CO3  _C1_     7     1.54631   112.76414    26.66343
    8     7 S   O2Z  _O11     8     1.26166   116.05127  -166.05311
    9     7 S   O2Z  _O12     9     1.26598   115.15168    15.48323
   10     5 S   CT   _CB1    10     1.53546   107.76931   -97.95852
   11    10 S   HC   HB11    11     1.09745   110.80266   -26.55049
   12    10 S   HC   HB12    12     1.09791   108.91794    89.86549
   13    10 S   CT   _CG1    13     1.53419   113.39774  -149.49905
   14    13 S   HC   HG11    14     1.09694   109.36417  -150.20330
   15    13 S   HC   HG12    15     1.09443   112.61826   -31.75764
   16    13 S   C    _CD1    16     1.51581   111.08836    92.41149
   17    16 S   O    _OE1    17     1.22924   121.43578    83.82098
   18    16 S   N    _N2_    18     1.38258   113.57610   -94.37712
   19    18 S   H    _HN2    19     1.01568   119.31831     0.61580
   20    18 S   CT1  _CA2    20     1.46325   123.30164   179.28646
   21    20 S   HC   _HA2    21     1.09738   109.24700    11.39802
   22    20 S   C    _C2_    22     1.53603   109.26341  -104.55271
   23    22 S   O    _O2_    23     1.23120   122.20065  -143.82504
   24    20 S   CT   _CB2    32     1.53296   111.38018   133.14575
   25    24 S   HC   HB21    33     1.09482   109.52926    57.73155
   26    24 S   HC   HB22    34     1.09536   110.52948   176.03355
   27    22 S   N    _N3_    24     1.38366   114.06748    43.92732
   28    27 S   H    _HN3    25     1.01509   119.75312    -3.42657
   29    24 S   S    _SG2    35     1.82871   112.05310   -64.46764
   30    27 S   CT   _CA3    26     1.45374   122.55447   176.71610
   31    30 S   HC   HA31    27     1.09573   107.54759   -58.99551
   32    30 S   HC   HA32    28     1.09558   107.87444    57.29396
   33    29 S   CT   _C4_    36     1.84241    99.18730   161.69765
   34    33 S   HC   _H5_    37     1.09842   105.57580   129.04212
   35    33 S   HC   _H6_    38     1.09962   107.76695    17.78959
   36    30 S   CO3  _C3_    29     1.52759   114.17756   178.69704
   37    36 S   O2Z  _O31    30     1.26442   115.81595   -19.44478
   38    36 S   O2Z  _O32    31     1.26345   114.73997   161.03732
   39    33 S   CT   _C5_    39     1.55898   116.68121  -107.69623
   40    39 S   OM   _O33    40     1.31852   107.63428   177.06442
   41    39 S   S    _S1_    41     1.85654   111.82924   -60.77877
   42    39 S   S    _S2_    75     1.86801   109.49271    58.53114
   43    41 S   CT   _C6_    42     1.83399   102.55288   -58.72139
   44    43 S   HC   _H7_    43     1.09434   107.90936    80.90326
   45    43 S   HC   _H8_    44     1.09408   109.80817   -36.69529
   46    42 S   CT   _C16    76     1.83990   102.75218   171.40033
   47    46 S   HC   _H19    77     1.09299   111.23598    11.96617
   48    46 S   HC   _H20    78     1.09527   106.30696  -104.10457
   49    43 S   CT1  _C7_    45     1.53864   111.86651  -157.41549
   50    49 S   HC   _H3_    46     1.09794   108.07371   178.67441
   51    46 S   CT1  _C17    79     1.53771   112.84809   135.66057
   52    51 S   HC   _H21    80     1.09766   108.47071   170.04456
   53    49 S   C    _C8_    47     1.52983   112.93413   -62.84927
   54    53 S   O    _O34    48     1.22918   123.15833   109.31737
   55    49 S   N    _N5_    57     1.45843   111.57904    60.97732
   56    55 S   H    _H12    58     1.01939   117.88285   -90.80155
   57    51 S   C    _C18    81     1.53175   112.10241   -71.10377
   58    57 S   O    _O40    82     1.23028   122.72406   108.29345
   59    51 S   N    _N8_    91     1.45824   113.37262    51.56893
   60    59 S   H    _H25    92     1.01838   117.33371  -109.96944
   61    53 S   N    _N4_    49     1.38543   112.60364   -70.20093
   62    61 S   H    _H9_    50     1.01617   120.36577    -0.66969
   63    55 S   C    _C11    59     1.38326   122.60487    83.47604
   64    63 S   O    _O37    60     1.22912   125.04575     5.95206
   65    57 S   N    _N7_    83     1.38525   113.12902   -71.20147
   66    65 S   H    _H22    84     1.01602   120.29333     2.26779
   67    59 S   C    _C21    93     1.38544   123.69275    68.73701
   68    67 S   O    _O43    94     1.22667   125.35445     4.06871
   69    61 S   CT   _C9_    51     1.45328   122.44288   179.16749
   70    69 S   HC   _H10    52     1.09563   107.55189   -62.05878
   71    69 S   HC   _H11    53     1.09568   107.87504    54.27846
   72    63 S   CT   _C12    61     1.51498   113.17423  -172.70725
   73    72 S   HC   _H13    62     1.09491   108.73157  -158.99442
   74    72 S   HC   _H14    63     1.09634   108.41428   -43.40891
   75    65 S   CT   _C19    85     1.45461   122.05519   179.57479
   76    75 S   HC   _H23    86     1.09538   108.06077   -57.95399
   77    75 S   HC   _H24    87     1.09585   107.46190    58.06205
   78    67 S   CT   _C22    95     1.51615   111.14334  -176.59688
   79    78 S   HC   _H26    96     1.09533   107.70848    45.96517
   80    78 S   HC   _H27    97     1.09530   107.04518   -70.51094
   81    69 S   CO3  _C10    54     1.52880   114.33007   176.28474
   82    81 S   O2Z  _O36    55     1.26346   116.10875     1.20268
   83    81 S   O2Z  _O35    56     1.26452   114.42757  -178.69929
   84    72 S   CT   _C13    64     1.53241   111.52489    77.29906
   85    84 S   HC   _H15    65     1.09752   108.46459  -165.67030
   86    84 S   HC   _H16    66     1.09764   109.26119   -50.16665
   87    75 S   CO3  _C20    88     1.52742   113.92203  -179.25087
   88    87 S   O2Z  _O42    89     1.26354   115.63827    34.15955
   89    87 S   O2Z  _O41    90     1.26405   114.84791  -145.81589
   90    78 S   CT   _C23    98     1.52800   113.46849   167.59151
   91    90 S   HC   _H28    99     1.09802   109.10341    65.00268
   92    90 S   HC   _H29   100     1.09756   109.28317   -50.09287
   93    84 S   CT1  _C14    67     1.53362   112.97093    71.98152
   94    93 S   HC   _H4_    68     1.09626   109.86979   -53.11983
   95    90 S   CT   _C24   101     1.53517   113.59348  -172.55155
   96    95 S   HC   _H30   102     1.09688   108.17865  -176.15432
   97    93 S   CO3  _C15    69     1.54680   115.91487    70.20437
   98    97 S   O2Z  _O39    70     1.26311   116.61771    16.81977
   99    97 S   O2Z  _O38    71     1.26716   114.43999  -162.96167
  100    93 S   NT   _N6_    72     1.47222   109.09534  -171.45183
  101   100 S   H    _H17    73     1.02075   108.67499   177.19397
  102   100 S   H    _H18    74     1.02149   108.65681    63.02836
  103    95 S   CO3  _C25   103     1.54430   114.72031    65.47851
  104   103 S   O2Z  _O45   104     1.26158   115.91408    34.37094
  105   103 S   O2Z  _O44   105     1.26581   114.84570  -145.99936
  106    95 S   NP   _N9_   106     1.50032   108.91263   -63.06323
  107   106 S   H    _H31   107     1.02710   112.80871   -50.09276
  108   106 S   H    _H32   108     1.02857   110.08936  -171.05455
  109   106 S   H    _H33   109     1.03412   111.30087    71.96418
  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   7   5   4   3
   8   5   4   2   1   1  11   4   9   8  10   5   4  10   5   4
  11   6  11   6  10   4   8   3  10   4   8   3   7   4   8   4
   7   4   8   4   5   4   3   9   5   4   5   4   3   9   5   4
   2   1   1  10   5   4   2   1   1  11   5   4   7   6   8   7
   5   2   1   2   1   1   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    42    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    43    44    45    49    42    46    47    48    51  
   41    43    42    46  
   43    44    45    49    50    53    55    42    46  
   46    47    48    51    52    57    59    43  
   44    45    49    50    53    54    61    55    56    63  
   45    49    50    53    55  
   49    50    53    55  
   47    48    51    52    57    58    65    59    60    67  
   48    51    52    57    59  
   51    52    57    59  
   50    53    54    61    62    69    55    56    63    64    72  
   53    54    61    55    56    63  
   52    57    58    65    66    75    59    60    67    68    78  
   57    58    65    59    60    67  
   54    61    62    69    70    71    81    55    56    63  
   61    62    69    55  
   56    63    64    72    73    74    84    61  
   63    64    72  
   58    65    66    75    76    77    87    59    60    67  
   65    66    75    59  
   60    67    68    78    79    80    90    65  
   67    68    78  
   62    69    70    71    81    82    83  
   69    70    71    81  
   64    72    73    74    84    85    86    93  
   72    73    74    84  
   66    75    76    77    87    88    89  
   75    76    77    87  
   68    78    79    80    90    91    92    95  
   78    79    80    90  
   70    71    81    82    83  
   71    81    82    83  
   81    82    83  
   73    74    84    85    86    93    94    97   100  
   74    84    85    86    93  
   84    85    86    93  
   76    77    87    88    89  
   77    87    88    89  
   87    88    89  
   79    80    90    91    92    95    96   103   106  
   80    90    91    92    95  
   90    91    92    95  
   82    83  
   83  
    0  
   85    86    93    94    97    98    99   100   101   102  
   86    93    94    97   100  
   93    94    97   100  
   88    89  
   89  
    0  
   91    92    95    96   103   104   105   106   107   108   109  
   92    95    96   103   106  
   95    96   103   106  
   94    97    98    99   100   101   102  
   97    98    99   100   101   102  
   96   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
   98    99   100   101   102  
   99   100  
  100  
  101   102  
  102  
    0  
  104   105   106   107   108   109  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
  101   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  102   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
  104   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
  105   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
  106   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
  107   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
  108   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
  109   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   222.000  1.810
   39    42   222.000  1.810
   41    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    53   317.000  1.522
   49    55   337.000  1.449
   53    54   570.000  1.229
   53    61   490.000  1.335
   61    62   434.000  1.010
   61    69   337.000  1.449
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
   55    56   434.000  1.010
   55    63   490.000  1.335
   63    64   570.000  1.229
   63    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   268.000  1.529
   93    94   340.000  1.090
   93    97   317.000  1.522
   93   100   305.000  1.457
   97    98   656.000  1.250
   97    99   656.000  1.250
  100   101   434.000  1.010
  100   102   434.000  1.010
   42    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    59   337.000  1.449
   57    58   570.000  1.229
   57    65   490.000  1.335
   65    66   434.000  1.010
   65    75   337.000  1.449
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   59    60   434.000  1.010
   59    67   490.000  1.335
   67    68   570.000  1.229
   67    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95   103   317.000  1.522
   95   106   367.000  1.471
  103   104   656.000  1.250
  103   105   656.000  1.250
  106   107   434.000  1.010
  106   108   434.000  1.010
  106   109   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    75.00000  111.63000
   33    39    42    75.00000  111.63000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    43    62.00000   98.90000
   39    42    46    62.00000   98.90000
   41    39    40    85.00000  114.68000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    49    75.00000  108.68000
   43    49    50    37.50000  110.70000
   43    49    53    63.00000  111.10000
   43    49    55    80.00000  109.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    53    54    80.00000  120.40000
   49    53    61    70.00000  116.60000
   49    55    56    38.00000  118.40000
   49    55    63    50.00000  121.90000
   53    49    50    35.00000  109.50000
   53    61    62    35.00000  119.80000
   53    61    69    50.00000  121.90000
   61    53    54    80.00000  122.90000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    81    63.00000  110.10000
   69    61    62    38.00000  118.40000
   69    81    82    70.00000  117.00000
   69    81    83    70.00000  117.00000
   71    69    70    33.00000  107.80000
   81    69    70    35.00000  109.50000
   81    69    71    35.00000  109.50000
   83    81    82    80.00000  126.00000
   55    49    50    35.00000  109.50000
   55    49    53    63.00000  110.10000
   55    63    64    80.00000  122.90000
   55    63    72    70.00000  116.60000
   63    55    56    35.00000  119.80000
   63    72    73    35.00000  109.50000
   63    72    74    35.00000  109.50000
   63    72    84    63.00000  111.10000
   72    63    64    80.00000  120.40000
   72    84    85    37.50000  110.70000
   72    84    86    37.50000  110.70000
   72    84    93    58.35000  112.70000
   74    72    73    33.00000  107.80000
   84    72    73    37.50000  110.70000
   84    72    74    37.50000  110.70000
   84    93    94    37.50000  110.70000
   84    93    97    63.00000  111.10000
   84    93   100    80.00000  111.22000
   86    84    85    33.00000  107.80000
   93    84    85    37.50000  110.70000
   93    84    86    37.50000  110.70000
   93    97    98    70.00000  117.00000
   93    97    99    70.00000  117.00000
   93   100   101    50.00000  111.55300
   93   100   102    50.00000  111.55300
   97    93    94    35.00000  109.50000
   99    97    98    80.00000  126.00000
  100    93    94    50.00000  109.55000
  100    93    97    75.00000  111.54000
  102   100   101    43.60000  106.40000
   42    39    40    85.00000  114.68000
   42    39    41    75.00000  118.28000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    75.00000  108.68000
   46    51    52    37.50000  110.70000
   46    51    57    63.00000  111.10000
   46    51    59    80.00000  109.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    57    58    80.00000  120.40000
   51    57    65    70.00000  116.60000
   51    59    60    38.00000  118.40000
   51    59    67    50.00000  121.90000
   57    51    52    35.00000  109.50000
   57    65    66    35.00000  119.80000
   57    65    75    50.00000  121.90000
   65    57    58    80.00000  122.90000
   65    75    76    35.00000  109.50000
   65    75    77    35.00000  109.50000
   65    75    87    63.00000  110.10000
   75    65    66    38.00000  118.40000
   75    87    88    70.00000  117.00000
   75    87    89    70.00000  117.00000
   77    75    76    33.00000  107.80000
   87    75    76    35.00000  109.50000
   87    75    77    35.00000  109.50000
   89    87    88    80.00000  126.00000
   59    51    52    35.00000  109.50000
   59    51    57    63.00000  110.10000
   59    67    68    80.00000  122.90000
   59    67    78    70.00000  116.60000
   67    59    60    35.00000  119.80000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    90    63.00000  111.10000
   78    67    68    80.00000  120.40000
   78    90    91    37.50000  110.70000
   78    90    92    37.50000  110.70000
   78    90    95    58.35000  112.70000
   80    78    79    33.00000  107.80000
   90    78    79    37.50000  110.70000
   90    78    80    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95   103    70.00000  109.69300
   90    95   106    80.00000  111.20000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95   103   104    70.00000  117.00000
   95   103   105    70.00000  117.00000
   95   106   107    35.00000  109.50000
   95   106   108    35.00000  109.50000
   95   106   109    35.00000  109.50000
  103    95    96    35.00000  109.50000
  105   103   104    80.00000  126.00000
  106    95    96    35.00000  109.50000
  106    95   103    80.00000  109.26000
  108   106   107    35.00000  109.50000
  109   106   107    35.00000  109.50000
  109   106   108    35.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    43   0.01700  1.0 1.0
   33    39    41    43  -0.23550 -1.0 2.0
   33    39    41    43   0.21350  1.0 3.0
   33    39    42    46   0.01700  1.0 1.0
   33    39    42    46  -0.23550 -1.0 2.0
   33    39    42    46   0.21350  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    41    43    44   0.32350  1.0 3.0
   39    41    43    45   0.32350  1.0 3.0
   39    41    43    49   0.01700  1.0 1.0
   39    41    43    49  -0.23550 -1.0 2.0
   39    41    43    49   0.21350  1.0 3.0
   39    42    46    47   0.32350  1.0 3.0
   39    42    46    48   0.32350  1.0 3.0
   39    42    46    51   0.01700  1.0 1.0
   39    42    46    51  -0.23550 -1.0 2.0
   39    42    46    51   0.21350  1.0 3.0
   40    39    41    43   0.13850  1.0 1.0
   40    39    41    43  -1.34450 -1.0 2.0
   40    39    41    43   0.57400  1.0 3.0
   40    39    42    46   0.13850  1.0 1.0
   40    39    42    46  -1.34450 -1.0 2.0
   40    39    42    46   0.57400  1.0 3.0
   41    39    42    46   0.08500  1.0 1.0
   41    39    42    46  -0.53150 -1.0 2.0
   41    39    42    46   0.48050  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    53  -2.17200  1.0 1.0
   41    43    49    53  -0.85700 -1.0 2.0
   41    43    49    55   0.71400  1.0 1.0
   41    43    49    55   0.04300 -1.0 2.0
   41    43    49    55   0.01450  1.0 3.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    61   0.93250  1.0 1.0
   43    49    53    61   0.04450 -1.0 2.0
   43    49    53    61   0.17550  1.0 3.0
   43    49    55    56   0.00000  1.0 1.0
   43    49    55    63   0.25950  1.0 1.0
   43    49    55    63   0.43850 -1.0 2.0
   43    49    55    63   2.61650  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    53  -0.03800  1.0 3.0
   44    43    49    55   0.23200  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    53  -0.03800  1.0 3.0
   45    43    49    55   0.23200  1.0 3.0
   49    53    61    62   2.45000 -1.0 2.0
   49    53    61    69   1.15000  1.0 1.0
   49    53    61    69   3.04450 -1.0 2.0
   49    55    63    64   3.04450 -1.0 2.0
   49    55    63    72   1.15000  1.0 1.0
   49    55    63    72   3.04450 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    61   0.00000  1.0 1.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    63   0.00000  1.0 1.0
   53    49    55    56   0.00000  1.0 1.0
   53    49    55    63  -0.29800  1.0 1.0
   53    49    55    63   0.13950 -1.0 2.0
   53    49    55    63  -2.45650  1.0 3.0
   53    61    69    70   0.00000  1.0 1.0
   53    61    69    71   0.00000  1.0 1.0
   53    61    69    81  -0.29800  1.0 1.0
   53    61    69    81   0.13950 -1.0 2.0
   53    61    69    81  -2.45650  1.0 3.0
   54    53    61    62   2.45000 -1.0 2.0
   54    53    61    69   3.04450 -1.0 2.0
   61    69    81    82   0.00000  1.0 1.0
   61    69    81    83   0.00000  1.0 1.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    71   0.00000  1.0 1.0
   62    61    69    81   0.00000  1.0 1.0
   70    69    81    82   0.00000  1.0 1.0
   70    69    81    83   0.00000  1.0 1.0
   71    69    81    82   0.00000  1.0 1.0
   71    69    81    83   0.00000  1.0 1.0
   55    49    53    54   0.00000  1.0 1.0
   55    49    53    61   0.37150  1.0 1.0
   55    49    53    61   1.25400 -1.0 2.0
   55    49    53    61  -0.40250  1.0 3.0
   55    63    72    73   0.00000  1.0 1.0
   55    63    72    74   0.00000  1.0 1.0
   55    63    72    84   1.39750  1.0 1.0
   55    63    72    84  -0.07950 -1.0 2.0
   55    63    72    84  -0.18750  1.0 3.0
   56    55    63    64   2.45000 -1.0 2.0
   56    55    63    72   2.45000 -1.0 2.0
   63    72    84    85  -0.11250  1.0 3.0
   63    72    84    86  -0.11250  1.0 3.0
   63    72    84    93  -0.84850  1.0 1.0
   63    72    84    93  -0.22800 -1.0 2.0
   63    72    84    93   0.29250  1.0 3.0
   64    63    72    73   0.00000  1.0 1.0
   64    63    72    74   0.00000  1.0 1.0
   64    63    72    84   0.30150 -1.0 2.0
   72    84    93    94   0.15000  1.0 3.0
   72    84    93    97  -0.84850  1.0 1.0
   72    84    93    97  -0.22800 -1.0 2.0
   72    84    93    97   0.29250  1.0 3.0
   72    84    93   100   1.53400  1.0 1.0
   72    84    93   100  -0.09950 -1.0 2.0
   72    84    93   100   0.05700  1.0 3.0
   73    72    84    85   0.15000  1.0 3.0
   73    72    84    86   0.15000  1.0 3.0
   73    72    84    93   0.15000  1.0 3.0
   74    72    84    85   0.15000  1.0 3.0
   74    72    84    86   0.15000  1.0 3.0
   74    72    84    93   0.15000  1.0 3.0
   84    93    97    98   0.00000  1.0 1.0
   84    93    97    99   0.00000  1.0 1.0
   84    93   100   101  -0.05950  1.0 1.0
   84    93   100   101   0.08850 -1.0 2.0
   84    93   100   101   0.11750  1.0 3.0
   84    93   100   102  -0.05950  1.0 1.0
   84    93   100   102   0.08850 -1.0 2.0
   84    93   100   102   0.11750  1.0 3.0
   85    84    93    94   0.15000  1.0 3.0
   85    84    93    97  -0.03800  1.0 3.0
   85    84    93   100   0.15000  1.0 3.0
   86    84    93    94   0.15000  1.0 3.0
   86    84    93    97  -0.03800  1.0 3.0
   86    84    93   100   0.15000  1.0 3.0
   94    93    97    98   0.00000  1.0 1.0
   94    93    97    99   0.00000  1.0 1.0
   94    93   100   101   0.20000  1.0 3.0
   94    93   100   102   0.20000  1.0 3.0
   97    93   100   101   0.21900  1.0 1.0
   97    93   100   101  -0.24900 -1.0 2.0
   97    93   100   101   0.15200  1.0 3.0
   97    93   100   102   0.21900  1.0 1.0
   97    93   100   102  -0.24900 -1.0 2.0
   97    93   100   102   0.15200  1.0 3.0
  100    93    97    98   0.30150 -1.0 2.0
  100    93    97    99   0.30150 -1.0 2.0
   42    39    41    43   0.08500  1.0 1.0
   42    39    41    43  -0.53150 -1.0 2.0
   42    39    41    43   0.48050  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    57  -2.17200  1.0 1.0
   42    46    51    57  -0.85700 -1.0 2.0
   42    46    51    59   0.71400  1.0 1.0
   42    46    51    59   0.04300 -1.0 2.0
   42    46    51    59   0.01450  1.0 3.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    65   0.93250  1.0 1.0
   46    51    57    65   0.04450 -1.0 2.0
   46    51    57    65   0.17550  1.0 3.0
   46    51    59    60   0.00000  1.0 1.0
   46    51    59    67   0.25950  1.0 1.0
   46    51    59    67   0.43850 -1.0 2.0
   46    51    59    67   2.61650  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57  -0.03800  1.0 3.0
   47    46    51    59   0.23200  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    57  -0.03800  1.0 3.0
   48    46    51    59   0.23200  1.0 3.0
   51    57    65    66   2.45000 -1.0 2.0
   51    57    65    75   1.15000  1.0 1.0
   51    57    65    75   3.04450 -1.0 2.0
   51    59    67    68   3.04450 -1.0 2.0
   51    59    67    78   1.15000  1.0 1.0
   51    59    67    78   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    65   0.00000  1.0 1.0
   52    51    59    60   0.00000  1.0 1.0
   52    51    59    67   0.00000  1.0 1.0
   57    51    59    60   0.00000  1.0 1.0
   57    51    59    67  -0.29800  1.0 1.0
   57    51    59    67   0.13950 -1.0 2.0
   57    51    59    67  -2.45650  1.0 3.0
   57    65    75    76   0.00000  1.0 1.0
   57    65    75    77   0.00000  1.0 1.0
   57    65    75    87  -0.29800  1.0 1.0
   57    65    75    87   0.13950 -1.0 2.0
   57    65    75    87  -2.45650  1.0 3.0
   58    57    65    66   2.45000 -1.0 2.0
   58    57    65    75   3.04450 -1.0 2.0
   65    75    87    88   0.00000  1.0 1.0
   65    75    87    89   0.00000  1.0 1.0
   66    65    75    76   0.00000  1.0 1.0
   66    65    75    77   0.00000  1.0 1.0
   66    65    75    87   0.00000  1.0 1.0
   76    75    87    88   0.00000  1.0 1.0
   76    75    87    89   0.00000  1.0 1.0
   77    75    87    88   0.00000  1.0 1.0
   77    75    87    89   0.00000  1.0 1.0
   59    51    57    58   0.00000  1.0 1.0
   59    51    57    65   0.37150  1.0 1.0
   59    51    57    65   1.25400 -1.0 2.0
   59    51    57    65  -0.40250  1.0 3.0
   59    67    78    79   0.00000  1.0 1.0
   59    67    78    80   0.00000  1.0 1.0
   59    67    78    90   1.39750  1.0 1.0
   59    67    78    90  -0.07950 -1.0 2.0
   59    67    78    90  -0.18750  1.0 3.0
   60    59    67    68   2.45000 -1.0 2.0
   60    59    67    78   2.45000 -1.0 2.0
   67    78    90    91  -0.11250  1.0 3.0
   67    78    90    92  -0.11250  1.0 3.0
   67    78    90    95  -0.95700  1.0 1.0
   67    78    90    95  -0.18200 -1.0 2.0
   67    78    90    95   0.29450  1.0 3.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    78    80   0.00000  1.0 1.0
   68    67    78    90   0.30150 -1.0 2.0
   78    90    95    96   0.15000  1.0 3.0
   78    90    95   103  -1.63150  1.0 1.0
   78    90    95   103  -0.43550 -1.0 2.0
   78    90    95   103   0.24500  1.0 3.0
   78    90    95   106   1.36600  1.0 1.0
   78    90    95   106  -0.11450 -1.0 2.0
   78    90    95   106   0.24250  1.0 3.0
   79    78    90    91   0.15000  1.0 3.0
   79    78    90    92   0.15000  1.0 3.0
   79    78    90    95   0.15000  1.0 3.0
   80    78    90    91   0.15000  1.0 3.0
   80    78    90    92   0.15000  1.0 3.0
   80    78    90    95   0.15000  1.0 3.0
   90    95   103   104   0.41150 -1.0 2.0
   90    95   103   105   0.41150 -1.0 2.0
   90    95   106   107   0.17350  1.0 3.0
   90    95   106   108   0.17350  1.0 3.0
   90    95   106   109   0.17350  1.0 3.0
   91    90    95    96   0.15000  1.0 3.0
   91    90    95   103  -0.11250  1.0 3.0
   91    90    95   106   0.19200  1.0 3.0
   92    90    95    96   0.15000  1.0 3.0
   92    90    95   103  -0.11250  1.0 3.0
   92    90    95   106   0.19200  1.0 3.0
   96    95   103   104   0.00000  1.0 1.0
   96    95   103   105   0.00000  1.0 1.0
   96    95   106   107   0.13050  1.0 3.0
   96    95   106   108   0.13050  1.0 3.0
   96    95   106   109   0.13050  1.0 3.0
  103    95   106   107   0.17350  1.0 3.0
  103    95   106   108   0.17350  1.0 3.0
  103    95   106   109   0.17350  1.0 3.0
  106    95   103   104   0.30150 -1.0 2.0
  106    95   103   105   0.30150 -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
   37    30    36    38  10.50000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   62    53    61    69   1.00000 -1.0 2.0
   82    69    81    83  10.50000 -1.0 2.0
   56    63    55    49   1.00000 -1.0 2.0
   55    72    63    64  10.50000 -1.0 2.0
   98    93    97    99  10.50000 -1.0 2.0
   51    65    57    58  10.50000 -1.0 2.0
   66    57    65    75   1.00000 -1.0 2.0
   88    75    87    89  10.50000 -1.0 2.0
   60    67    59    51   1.00000 -1.0 2.0
   59    78    67    68  10.50000 -1.0 2.0
  104    95   103   105  10.50000 -1.0 2.0
END
