* LIGAND DATABASE FILE (OPLS2005)
*
001     106   106    190    281     554
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078    51.92635    93.73068
    3     1 S   H    _H1_     3     1.02086    60.30438  -109.92067
    4     1 S   H    _H2_     4     1.02091   106.37865    -7.43867
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.86846   100.40479   179.96574
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C10    37     1.53241   106.76063   -59.97966
   38    37 S   HC   _H10    38     1.09265   114.15018   -58.79702
   39    33 S   CT   _C12    54     1.55568   109.73624  -178.30200
   40    39 S   HC   _H11    55     1.09866   109.58350    56.75266
   41    39 S   HC   _H12    56     1.10006   108.55039   -56.70057
   42    33 S   OS   _O35   102     1.44081   110.98154    58.58601
   43    37 S   CMA  _C9_    39     1.35229   129.02232   121.40338
   44    43 S   OM   _O36    40     1.25828   133.29433  -179.65850
   45    39 S   CT   _C13    57     1.53216   117.23304  -179.91377
   46    45 S   HC   _H13    58     1.09440   111.38314    60.00906
   47    45 S   HC   _H14    59     1.09244   111.98401   -61.98130
   48    42 S   CT   _C30   103     1.42026   117.58718    62.70440
   49    48 S   HC   _H37   104     1.09254   109.46925   179.96574
   50    48 S   HC   _H38   105     1.09316   109.48751    59.26394
   51    48 S   HC   _H39   106     1.09256   109.01961   -60.37555
   52    43 S   N    _N4_    41     1.37361   116.64374    -0.01978
   53    45 S   N    _N5_    60     1.44322   111.18398   178.64477
   54    53 S   H    _H15    61     1.01639   118.57622    90.01680
   55    52 S   C    _C8_    42     1.38842   123.96598   -89.97579
   56    55 S   O    _O33    43     1.22075   129.88824    -2.63953
   57    53 S   C    _C14    62     1.38708   122.88006   -89.99360
   58    57 S   O    _O34    63     1.22784   125.16189     0.05234
   59    55 S   CM   _C7_    44     1.47524   106.53944   176.47463
   60    59 S   HC   _H9_    45     1.07633   125.14310  -178.98741
   61    57 S   CT   _C15    64     1.52158   111.63847  -178.71032
   62    61 S   HC   _H16    65     1.09645   109.33002   -56.28433
   63    61 S   HC   _H17    66     1.09712   106.98317    59.77405
   64    59 S   CM   _C6_    46     1.33466   106.89254     0.30774
   65    64 S   HC   _H8_    47     1.08208   123.48452  -179.14339
   66    61 S   CT   _C16    67     1.52853   113.54538  -179.98022
   67    66 S   HC   _H18    68     1.09694   108.81539  -177.76122
   68    66 S   HC   _H19    69     1.09731   110.27147   -61.18763
   69    52 S   CT   _C5_    48     1.44331   123.19069    87.65307
   70    69 S   HC   _H3_    49     1.09595   109.37384   -59.98275
   71    66 S   CM   _C17    70     1.50331   111.97510    63.10865
   72    71 S   HC   _H20    71     1.08639   116.03878    59.85970
   73    69 S   CT   _C4_    50     1.52395   113.62806    64.91611
   74    73 S   HC   _H5_    51     1.08986   109.98963    56.07173
   75    73 S   HC   _H6_    52     1.08980   109.92686   -63.87155
   76    73 S   HC   _H7_    53     1.08951   109.97399   176.10157
   77    71 S   CM   _C18    72     1.34242   123.65963  -120.34637
   78    77 S   HC   _H21    73     1.08952   117.82994    -0.19782
   79    77 S   CT   _C19    74     1.51288   127.34055   179.96574
   80    79 S   HC   _H4_    75     1.09899   105.70805    -0.01978
   81    79 S   CT   _C20    76     1.53269   115.95516   117.61010
   82    81 S   HC   _H22    77     1.09399   112.40014    62.74235
   83    81 S   HC   _H23    78     1.09572   110.56161   -57.74252
   84    81 S   HC   _H24    79     1.09564   110.76062  -176.55031
   85    79 S   CT   _C21    80     1.54600   111.11317  -115.12458
   86    85 S   HC   _H25    81     1.09805   108.45695   180.00000
   87    85 S   HC   _H26    82     1.09829   108.61742   -65.45129
   88    85 S   CT   _C22    83     1.53691   114.98883    57.36094
   89    88 S   HC   _H27    84     1.09503   110.33634  -176.14100
   90    88 S   HC   _H28    85     1.09460   110.14254   -60.38822
   91    88 S   CM   _C23    86     1.51591   111.54187    62.22041
   92    91 S   CM   _C24    87     1.34254   123.87967  -117.69512
   93    92 S   Cl   Cl1_    88     1.71344   125.81189   178.86616
   94    92 S   HC   _H29    89     1.08262   123.16553    -1.64853
   95    91 S   CT   _C25    90     1.51561   116.47661    61.17258
   96    95 S   HC   _H30    91     1.09688   108.95231   -58.89920
   97    95 S   HC   _H31    92     1.09842   110.29082  -173.99247
   98    95 S   CT   _C26    93     1.53509   114.52733    63.07633
   99    98 S   HC   _H32    94     1.09768   107.95050   179.98022
  100    98 S   HC   _H33    95     1.09643   110.36762   -64.53609
  101    98 S   CT   _C27    96     1.53052   113.19840    58.91198
  102   101 S   HC   _H34    97     1.09614   109.83893    59.31854
  103   101 S   HC   _H35    98     1.09579   110.21085   -58.54593
  104   101 S   CZ   _C28    99     1.46951   111.17556  -179.67797
  105   104 S   CZ   _C29   100     1.20044   179.80820  -157.38274
  106   105 S   HC   _H36   101     1.06481   179.91153  -101.73334
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  12   5  11   6   5   6   9   3   7   4   3   3
   2   1   1  12   7   3   8   4   8   4   6   3   8   5   4   7
   3   7   4   3   5   4   7   3   3   2   1   1  11   4  12   8
   7   3   2   1   8   5   4  10   4   3  10   6   2   1   9   5
   4   7   5   4   5   3   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    41    45    42    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    52    39    40    41    45    46    47    53    42    48    49    50    51  
   35    36  
   36  
    0  
   38    43    44    52    55    69    39    40    41    45    42    48  
   43    44    52    39    42  
   40    41    45    46    47    53    54    57    42    48    43  
   41    45    46    47    53    42  
   45    46    47    53    42  
   48    49    50    51    43    45  
   44    52    55    56    59    64    69    70    73  
   52    55    69  
   46    47    53    54    57    58    61  
   47    53    54    57  
   53    54    57  
   49    50    51  
   50    51  
   51  
    0  
   55    56    59    60    64    65    69    70    73    74    75    76  
   54    57    58    61    62    63    66  
   57    58    61  
   56    59    60    64    65    69    70    73  
   59    60    64    69  
   58    61    62    63    66    67    68    71  
   61    62    63    66  
   60    64    65    69    70    73  
   64    65    69  
   62    63    66    67    68    71    72    77  
   63    66    67    68    71  
   66    67    68    71  
   65    69    70    73    74    75    76  
   69    70    73  
   67    68    71    72    77    78    79  
   68    71    72    77  
   71    72    77  
   70    73    74    75    76  
   73    74    75    76  
   72    77    78    79    80    81    85  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88  
   79    80    81    85  
   80    81    82    83    84    85    86    87    88    89    90    91  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88    89    90    91    92    95  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    95    96    97    98  
   90    91    92    95  
   91    92    95  
   92    93    94    95    96    97    98    99   100   101  
   93    94    95    96    97    98  
   94    95  
   95  
   96    97    98    99   100   101   102   103   104  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106  
  103   104   105  
  104   105  
  105   106  
  106  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   93   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
  105   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
  106   2.4200   0.0300   0.200000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    52   400.000  1.384
   52    55   490.000  1.335
   52    69   337.000  1.449
   55    56   570.000  1.229
   55    59   410.000  1.444
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    69   317.000  1.510
   69    70   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   337.000  1.449
   53    54   434.000  1.010
   53    57   490.000  1.335
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.510
   71    72   340.000  1.080
   71    77   549.000  1.340
   77    78   340.000  1.080
   77    79   317.000  1.510
   79    80   340.000  1.090
   79    81   268.000  1.529
   79    85   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   317.000  1.510
   91    92   549.000  1.340
   91    95   317.000  1.510
   92    93   300.000  1.725
   92    94   340.000  1.080
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   390.000  1.470
  104   105   985.000  1.221
  105   106   410.000  1.067
   42    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    42    48    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    52    75.00000  120.83300
   43    37    38    40.00000  120.50800
   43    52    55    70.00000  120.89900
   43    52    69    70.00000  119.94800
   52    43    44   110.00000  107.01400
   52    55    56    80.00000  122.90000
   52    55    59    80.00000  111.56200
   52    69    64    75.00000  110.78400
   52    69    70    35.00000  109.50000
   52    69    73    70.00000  110.72300
   55    59    60    35.00000  119.70000
   55    59    64    70.00000  118.70000
   59    55    56    80.00000  125.30000
   59    64    65    35.00000  120.00000
   59    64    69    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    73    70.00000  112.02700
   69    52    55    50.00000  121.90000
   69    64    65    35.00000  117.00000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    70.00000  110.72300
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    53    54    38.00000  118.40000
   45    53    57    50.00000  121.90000
   47    45    46    33.00000  107.80000
   53    45    46    35.00000  109.50000
   53    45    47    35.00000  109.50000
   53    57    58    80.00000  122.90000
   53    57    61    70.00000  116.60000
   57    53    54    35.00000  119.80000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    66    63.00000  111.10000
   61    57    58    80.00000  120.40000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    70.00000  112.02700
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    71    72    35.00000  117.00000
   66    71    77    70.00000  124.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    77    78    35.00000  120.00000
   71    77    79    70.00000  124.00000
   77    71    72    35.00000  120.00000
   77    79    80    35.00000  109.50000
   77    79    81    70.00000  112.02700
   77    79    85    70.00000  112.02700
   79    77    78    35.00000  117.00000
   79    81    82    37.50000  110.70000
   79    81    83    37.50000  110.70000
   79    81    84    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    58.35000  112.70000
   81    79    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    58.35000  112.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    70.00000  112.02700
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    70.00000  124.00000
   88    91    95    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    92    93    75.00000  121.50000
   91    92    94    35.00000  120.00000
   91    95    96    35.00000  109.50000
   91    95    97    35.00000  109.50000
   91    95    98    70.00000  112.02700
   94    92    93    60.00000  114.00000
   95    91    92    70.00000  124.00000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    30.00000  179.48800
  103   101   102    33.00000  107.80000
  104   101   102    35.00000  108.50000
  104   101   103    35.00000  108.50000
  104   105   106    20.00000  179.85100
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    42    48   0.14700  1.0 1.0
   29    33    42    48  -1.16150 -1.0 2.0
   29    33    42    48   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    52   7.00000 -1.0 2.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    53   0.43900  1.0 1.0
   33    39    45    53   0.49100 -1.0 2.0
   33    39    45    53   0.28400  1.0 3.0
   33    42    48    49   0.37050  1.0 3.0
   33    42    48    50   0.37050  1.0 3.0
   33    42    48    51   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.34400  1.0 1.0
   37    33    39    45   0.09450 -1.0 2.0
   37    33    39    45   0.11100  1.0 3.0
   37    33    42    48  -0.77900  1.0 1.0
   37    33    42    48  -0.36900 -1.0 2.0
   37    33    42    48   0.40400  1.0 3.0
   37    43    52    55  -0.18900  1.0 1.0
   37    43    52    55   1.70900 -1.0 2.0
   37    43    52    69  -0.88150  1.0 1.0
   37    43    52    69   2.95600 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    52   7.00000 -1.0 2.0
   43    52    55    56   2.67200 -1.0 2.0
   43    52    55    59   2.45000 -1.0 2.0
   43    52    69    64   0.17850 -1.0 2.0
   43    52    69    70   0.00000  1.0 1.0
   43    52    69    73  -0.05900 -1.0 2.0
   44    43    52    55  -0.56400  1.0 1.0
   44    43    52    55   0.77500 -1.0 2.0
   44    43    52    55   0.18700  1.0 3.0
   44    43    52    69   1.00000 -1.0 2.0
   52    55    59    60   0.65100 -1.0 2.0
   52    55   -59    64   0.49500  1.0 1.0
   52    55   -59    64   1.31600 -1.0 2.0
   52    55   -59    64  -0.02300  1.0 3.0
   52    69    73    74   0.15000  1.0 3.0
   52    69    73    75   0.15000  1.0 3.0
   52    69    73    76   0.15000  1.0 3.0
   55    52   -69    64  -0.19250  1.0 1.0
   55    52   -69    64  -0.00500 -1.0 2.0
   55    52   -69    64   0.17000  1.0 3.0
   55    52    69    70   0.00000  1.0 1.0
   55    52    69    73  -0.43950  1.0 1.0
   55    52    69    73  -0.08100 -1.0 2.0
   55    52    69    73   0.03350  1.0 3.0
   55    59    64    65   7.00000 -1.0 2.0
   55    59   -64    69   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    64   1.00000 -1.0 2.0
   59    64   -69    52   0.62150  1.0 1.0
   59    64   -69    52   0.42850 -1.0 2.0
   59    64   -69    52  -0.68200  1.0 3.0
   59    64    69    70   0.00000  1.0 1.0
   59    64    69    73   0.09850  1.0 1.0
   59    64    69    73   0.15250 -1.0 2.0
   59    64    69    73  -0.50650  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    69   7.00000 -1.0 2.0
   64    69    73    74   0.15000  1.0 3.0
   64    69    73    75   0.15000  1.0 3.0
   64    69    73    76   0.15000  1.0 3.0
   65    64    69    52   0.00000  1.0 1.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    73   0.00000  1.0 1.0
   69    52    55    56   3.04450 -1.0 2.0
   69    52   -55    59   1.49850  1.0 1.0
   69    52   -55    59   1.53950 -1.0 2.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    42    48   0.06250  1.0 1.0
   39    33    42    48  -0.01100 -1.0 2.0
   39    33    42    48   0.28050  1.0 3.0
   39    45    53    54   0.00000  1.0 1.0
   39    45    53    57  -0.43950  1.0 1.0
   39    45    53    57  -0.08100 -1.0 2.0
   39    45    53    57   0.03350  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    53   0.15000  1.0 3.0
   45    53    57    58   3.04450 -1.0 2.0
   45    53    57    61   1.49850  1.0 1.0
   45    53    57    61   1.53950 -1.0 2.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    57   0.00000  1.0 1.0
   47    45    53    54   0.00000  1.0 1.0
   47    45    53    57   0.00000  1.0 1.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    66   1.39750  1.0 1.0
   53    57    61    66  -0.07950 -1.0 2.0
   53    57    61    66  -0.18750  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    61   2.45000 -1.0 2.0
   57    61    66    67  -0.11250  1.0 3.0
   57    61    66    68  -0.11250  1.0 3.0
   57    61    66    71  -0.98800  1.0 1.0
   57    61    66    71   0.48800 -1.0 2.0
   57    61    66    71   0.76800  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    66   0.30150 -1.0 2.0
   61    66    71    72   0.00000  1.0 1.0
   61    66    71    77   0.09850  1.0 1.0
   61    66    71    77   0.15250 -1.0 2.0
   61    66    71    77  -0.50650  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    71    77    78   7.00000 -1.0 2.0
   66    71    77    79   7.00000 -1.0 2.0
   67    66    71    72   0.33100  1.0 3.0
   67    66    71    77   0.00000  1.0 1.0
   68    66    71    72   0.33100  1.0 3.0
   68    66    71    77   0.00000  1.0 1.0
   71    77    79    80   0.00000  1.0 1.0
   71    77    79    81   0.09850  1.0 1.0
   71    77    79    81   0.15250 -1.0 2.0
   71    77    79    81  -0.50650  1.0 3.0
   71    77    79    85   0.09850  1.0 1.0
   71    77    79    85   0.15250 -1.0 2.0
   71    77    79    85  -0.50650  1.0 3.0
   72    71    77    78   7.00000 -1.0 2.0
   72    71    77    79   7.00000 -1.0 2.0
   77    79    81    82   0.15000  1.0 3.0
   77    79    81    83   0.15000  1.0 3.0
   77    79    81    84   0.15000  1.0 3.0
   77    79    85    86   0.15000  1.0 3.0
   77    79    85    87   0.15000  1.0 3.0
   77    79    85    88   0.34400  1.0 1.0
   77    79    85    88   0.09450 -1.0 2.0
   77    79    85    88   0.11100  1.0 3.0
   78    77    79    80   0.33100  1.0 3.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    85   0.00000  1.0 1.0
   79    85    88    89   0.15000  1.0 3.0
   79    85    88    90   0.15000  1.0 3.0
   79    85    88    91   0.34400  1.0 1.0
   79    85    88    91   0.09450 -1.0 2.0
   79    85    88    91   0.11100  1.0 3.0
   80    79    81    82   0.15000  1.0 3.0
   80    79    81    83   0.15000  1.0 3.0
   80    79    81    84   0.15000  1.0 3.0
   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
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.56750  1.0 1.0
   81    79    85    88  -0.07550 -1.0 2.0
   81    79    85    88   0.20000  1.0 3.0
   85    79    81    82   0.15000  1.0 3.0
   85    79    81    83   0.15000  1.0 3.0
   85    79    81    84   0.15000  1.0 3.0
   85    88    91    92   0.09850  1.0 1.0
   85    88    91    92   0.15250 -1.0 2.0
   85    88    91    92  -0.50650  1.0 3.0
   85    88    91    95   0.46850  1.0 1.0
   85    88    91    95   0.08550 -1.0 2.0
   85    88    91    95   0.09800  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   88    91    92    93   7.00000 -1.0 2.0
   88    91    92    94   7.00000 -1.0 2.0
   88    91    95    96   0.34800  1.0 3.0
   88    91    95    97   0.34800  1.0 3.0
   88    91    95    98   0.46850  1.0 1.0
   88    91    95    98   0.08550 -1.0 2.0
   88    91    95    98   0.09800  1.0 3.0
   89    88    91    92   0.00000  1.0 1.0
   89    88    91    95   0.34800  1.0 3.0
   90    88    91    92   0.00000  1.0 1.0
   90    88    91    95   0.34800  1.0 3.0
   91    95    98    99   0.15000  1.0 3.0
   91    95    98   100   0.15000  1.0 3.0
   91    95    98   101   0.34400  1.0 1.0
   91    95    98   101   0.09450 -1.0 2.0
   91    95    98   101   0.11100  1.0 3.0
   92    91    95    96   0.00000  1.0 1.0
   92    91    95    97   0.00000  1.0 1.0
   92    91    95    98   0.09850  1.0 1.0
   92    91    95    98   0.15250 -1.0 2.0
   92    91    95    98  -0.50650  1.0 3.0
   95    91    92    93   7.00000 -1.0 2.0
   95    91    92    94   7.00000 -1.0 2.0
   95    98   101   102   0.15000  1.0 3.0
   95    98   101   103   0.15000  1.0 3.0
   95    98   101   104  -0.74000  1.0 1.0
   95    98   101   104   0.24050 -1.0 2.0
   95    98   101   104   0.24650  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   98   101   104   105   0.00000  1.0 1.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   104   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   104   0.15000  1.0 3.0
  101   104   105   106   0.00000  1.0 1.0
  102   101   104   105   0.00000  1.0 1.0
  103   101   104   105   0.00000  1.0 1.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    40   0.23400  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
   42    33    39    45   0.62750  1.0 1.0
   42    33    39    45  -0.30950 -1.0 2.0
   42    33    39    45   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43  15.00000 -1.0 2.0
   52    44    43    37  15.00000 -1.0 2.0
   69    55    52    43   1.00000 -1.0 2.0
   52    59    55    56  10.50000 -1.0 2.0
   55    60    59    64   1.10000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   54    57    53    45   1.00000 -1.0 2.0
   53    61    57    58  10.50000 -1.0 2.0
   66    72    71    77  15.00000 -1.0 2.0
   79    78    77    71  15.00000 -1.0 2.0
   88    95    91    92  15.00000 -1.0 2.0
   93    94    92    91  15.00000 -1.0 2.0
END
