* LIGAND DATABASE FILE (OPLS2005)
*
001     112   116    222    367     676
    1     0 S   NP   _N1_     1    28.50412    98.43871   -21.19205
    2     1 S   H    _HN1     2     1.02938    67.95442    26.41783
    3     1 S   H    _H1_     3     1.02847    50.45102   163.85109
    4     1 S   H    _H2_     4     1.02759    90.86985   -83.26628
    5     1 S   CT   _CA1     5     1.50335   154.88526   117.66330
    6     5 S   HC   _HA1     6     1.09553   104.96448    96.60778
    7     5 S   CO3  _C1_     7     1.54043   112.69920   -22.81265
    8     7 S   O2Z  _O11     8     1.26388   114.94926   -20.60139
    9     7 S   O2Z  _O12     9     1.26293   115.42742   158.75233
   10     5 S   CT   _CB1    10     1.53255   107.30764  -145.08837
   11    10 S   HC   HB11    11     1.09824   109.83284   -40.04864
   12    10 S   HC   HB12    12     1.09813   110.18783    76.76309
   13    10 S   CT   _CG1    13     1.52952   112.71034  -160.79221
   14    13 S   HC   HG11    14     1.09480   110.72157   -63.83086
   15    13 S   HC   HG12    15     1.09666   109.75961    55.29750
   16    13 S   C    _CD1    16     1.51908   112.63404   175.92345
   17    16 S   O    _OE1    17     1.22686   123.37917     5.47815
   18    16 S   N    _N2_    18     1.38428   111.32340  -175.38552
   19    18 S   H    _HN2    19     1.01623   118.87558     3.33718
   20    18 S   CT1  _CA2    20     1.45908   124.02727  -178.97473
   21    20 S   HC   _HA2    21     1.09672   109.52893    -9.92700
   22    20 S   C    _C2_    22     1.52787   106.36020  -127.16140
   23    22 S   O    _O2_    23     1.22999   122.85178   -28.19408
   24    20 S   CT   _CB2    32     1.53369   111.34670   113.83191
   25    24 S   HC   HB21    33     1.09414   109.42250    46.39556
   26    24 S   HC   HB22    34     1.09524   110.32686   164.91638
   27    22 S   N    _N3_    24     1.38447   112.66700   154.26765
   28    27 S   H    _HN3    25     1.01659   120.38834    -0.88492
   29    24 S   S    _SG2    35     1.83202   110.89263   -76.23642
   30    27 S   CT   _CA3    26     1.45361   122.43938   178.78003
   31    30 S   HC   HA31    27     1.09564   107.55449   -62.05495
   32    30 S   HC   HA32    28     1.09570   107.85206    54.25941
   33    29 S   CT   _C22    36     1.86946   103.36548   152.22798
   34    30 S   CO3  _C3_    29     1.52888   114.38348   176.28322
   35    34 S   O2Z  _O31    30     1.26329   116.08622     1.18432
   36    34 S   O2Z  _O32    31     1.26450   114.40068  -178.76600
   37    33 S   CM   _C4_    37     1.52354   108.01910    36.01270
   38    37 S   HC   _H39    38     1.08906   117.20442  -101.70998
   39    33 S   CT   _C17    54     1.57952   113.00972   151.17287
   40    39 S   HC   _H53    55     1.10223   103.33010  -177.23275
   41    37 S   CMA  _C7_    39     1.35206   124.95069    80.42982
   42    41 S   OM   _O30    40     1.26027   128.45694   177.49313
   43    39 S   CT   _C11    56     1.54305   113.72013    72.49899
   44    43 S   HC   _H42    57     1.09260   112.52923   -69.78873
   45    43 S   HC   _H43    58     1.09622   109.91581   171.16949
   46    41 S   CT   _C16    41     1.55154   116.52713    -7.82170
   47    46 S   HC   _H52    42     1.10187   103.51246   -70.16207
   48    43 S   CO4  _C9_    59     1.52662   111.15443    52.77158
   49    48 S   O    _O34    60     1.22908   120.73484   124.00018
   50    46 S   CT   _C14    43     1.55887   117.75715   177.87892
   51    50 S   HC   _H48    44     1.09778   111.34188    44.58228
   52    50 S   HC   _H49    45     1.09794   109.55525   158.04479
   53    48 S   CT   _C23    61     1.53187   115.98967   -57.04064
   54    50 S   CT   _C19    46     1.52410   113.23715   -79.97178
   55    54 S   HC   _H55    47     1.09558   110.34429    62.79243
   56    53 S   CT   _C18    62     1.57629   116.81831   165.84906
   57    56 S   HC   _H54    63     1.09868   106.31664   -37.24642
   58    53 S   CT   _C27   101     1.53914   107.60696   -68.72759
   59    58 S   HC   _H61   102     1.09288   112.44760   174.39954
   60    58 S   HC   _H62   103     1.08961   113.79717    51.39808
   61    58 S   HC   _H63   104     1.09423   111.04009   -64.47777
   62    54 S   CT   _C20    48     1.52536   111.15566   -58.34218
   63    62 S   HC   _H56    49     1.09635   109.16639   177.32153
   64    56 S   CT   _C12    64     1.56132   102.52684  -150.06778
   65    64 S   HC   _H44    65     1.09420   112.95223  -104.86795
   66    64 S   HC   _H45    66     1.09622   109.73646   135.67167
   67    56 S   CT   _C32    73     1.56981   122.26938    83.31360
   68    54 S   OH   _O36   111     1.42630   109.84579  -179.59506
   69    68 S   HO   _H75   112     0.97244   107.20944   -57.66549
   70    62 S   CT   _C15    50     1.52913   110.33346    56.38447
   71    70 S   HC   _H50    51     1.09834   106.43378    68.55595
   72    70 S   HC   _H51    52     1.09722   108.94302  -176.84762
   73    64 S   CT   _C13    67     1.53890   107.90706    15.44511
   74    73 S   HC   _H46    68     1.09484   110.09722   136.57946
   75    73 S   HC   _H47    69     1.09138   108.71998  -105.21090
   76    67 S   CT   _C21    74     1.56801   112.06396   177.11134
   77    76 S   HC   _H57    75     1.09854   108.66800   -65.01258
   78    67 S   CT   _C30    95     1.53593   111.83275   -58.17153
   79    78 S   HC   _H70    96     1.09591   111.36182  -179.47140
   80    78 S   HC   _H71    97     1.09350   112.02328   -58.30911
   81    78 S   HC   _H72    98     1.09381   111.62215    63.72709
   82    67 S   OH   _O39    99     1.43469   109.85833    58.51079
   83    82 S   HO   _H78   100     0.97353   109.44725    81.92025
   84    62 S   OH   _O37   109     1.42524   110.60084   -66.18145
   85    84 S   HO   _H76   110     0.97207   107.48532  -178.48393
   86    46 S   CT   _C24    53     1.58180   112.85447    45.17244
   87    33 S   CT   _C25    70     1.58274   112.32579   -88.57763
   88    76 S   CT   _C10    76     1.52450   115.13973    58.88738
   89    88 S   HC   _H40    77     1.09553   111.94735    56.70716
   90    88 S   HC   _H41    78     1.09400   109.87419   -63.24005
   91    87 S   OH   _O38    71     1.46235   106.40036   174.24623
   92    91 S   HO   _H77    72     0.97184   108.67893   -69.89588
   93    88 S   CM   _C6_    79     1.50716   109.19048   176.24058
   94    86 S   CT   _C28   105     1.55080   108.70742  -150.89468
   95    94 S   HC   _H64   106     1.09340   111.60173    70.75641
   96    94 S   HC   _H65   107     1.09251   112.71791   -48.56738
   97    94 S   HC   _H66   108     1.09527   111.66916  -168.72951
   98    93 S   CM   _C5_    80     1.34862   120.36208   -30.36579
   99    93 S   CT   _C31    88     1.51165   115.17133   150.85932
  100    99 S   HC   _H73    89     1.09728   109.26659    36.78154
  101    99 S   HC   _H74    90     1.09535   111.23437   152.33555
  102    98 S   CO4  _C8_    81     1.49102   119.46932    -4.35181
  103   102 S   O    _O33    82     1.22691   121.39111  -164.28897
  104    98 S   CT   _C26    84     1.50167   125.57265   178.12905
  105   104 S   HC   _H58    85     1.09478   110.32393   105.99271
  106   104 S   HC   _H59    86     1.09299   113.09152   -15.33247
  107   104 S   HC   _H60    87     1.09576   110.35713  -134.24505
  108    99 S   CT   _C29    91     1.52200   112.12649   -84.78664
  109   108 S   HC   _H67    92     1.09512   111.20097   -60.59453
  110   108 S   HC   _H68    93     1.09474   110.09844   179.81977
  111   108 S   HC   _H69    94     1.09493   111.52724    60.14644
  112    76 S   OS   _O35    83     1.44882   108.57018  -179.33353
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  23   9  11   4  12   5   4  16   7  14
   4  12   6   5  19  11   6  24  10   8   3   2   1  10   7  11
   6   5  16   3   1   9   4   3   5   3   2  16   8   7   3   2
   1   3   1   2   1   5   2  11   5   4   1   1  15   3   2   1
   1  11   8   5   4   6   2   4   2   1   1   3   2   1   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    87    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    86    39    40    43    53    73    87    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    70    86    39    40    43    44    45    48    53    56    64    73    74    75    87    91    92    58    94  
   35    36  
   36  
    0  
   38    41    42    46    47    50    86    39    40    43    53    73    87    91  
   41    42    46    39    87  
   40    43    44    45    48    49    53    73    87    91    94    95    96    97    41    46    47    50    62    70    71    72    86  
   43    44    45    48    87    94    46    70    86  
   42    46    47    50    51    52    54    70    86    87    94  
   46    47    50    86  
   44    45    48    49    53    56    87    58    94    46    70    86  
   45    48    49    53    86  
   48    49    53    86  
   47    50    51    52    54    55    62    70    71    72    86    94    95    96    97    68  
   50    51    52    54    70    86    94  
   49    53    56    57    64    73    87    91    67    58    59    60    61    86  
   53    56    87    58  
   51    52    54    55    62    63    70    86    94    84    68    69  
   52    54    55    62    86    68  
   54    55    62    86    68  
   56    57    64    65    66    73    74    75    87    91    92    67    76    78    82    58    59    60    61  
   55    62    63    70    71    72    86    84    85    68    69  
   62    63    70    84    68    69  
   57    64    65    66    73    74    75    87    91    67    76    77    88   112    78    79    80    81    82    83    58    59    60    61  
   64    65    66    73    87    67    76    78    82    58  
   59    60    61    64    67    73    87    91  
   60    61    87  
   61    87  
   87  
   63    70    71    72    86    94    84    85    68    69  
   70    71    72    86    84    85    68  
   65    66    73    74    75    87    91    67    76    78    82  
   66    73    74    75    87    67  
   73    74    75    87    67  
   76    77    88    89    90    93   102   112    78    79    80    81    82    83    73    87  
   69    70    84  
    0  
   71    72    86    94    95    96    97    84    85  
   72    86    94    84  
   86    94    84  
   74    75    87    91    92  
   75    87    91  
   87    91  
   77    88    89    90    93    98   102   103   112    99    78    79    80    81    82    83  
   88    89    90    93   102   112    78    82  
   79    80    81    82    83    88   112  
   80    81    82  
   81    82  
   82  
   83    88   112  
    0  
   85    86  
    0  
   87    94    95    96    97  
   91    92  
   89    90    93    98   102   112   104    99   100   101   108  
   90    93    98   112    99  
   93    98   112    99  
   92  
    0  
   98   102   103   112   104   105   106   107    99   100   101   108   109   110   111  
   95    96    97  
   96    97  
   97  
    0  
  102   103   112   104   105   106   107    99   100   101   108  
  100   101   108   109   110   111   102   104  
  101   108   109   110   111  
  108   109   110   111  
  103   112   104   105   106   107  
  112   104  
  105   106   107   112  
  106   107  
  107  
    0  
  109   110   111  
  110   111  
  111  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    87   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    86   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    68   320.000  1.410
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    84   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    86   268.000  1.529
   86    39   268.000  1.529
   86    94   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    56   268.000  1.529
   53    87   268.000  1.529
   53    58   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    87   268.000  1.529
   87    91   320.000  1.410
   91    92   553.000  0.945
   67    76   268.000  1.529
   67    78   268.000  1.529
   67    82   320.000  1.410
   76    77   340.000  1.090
   76    88   268.000  1.529
   76   112   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    93   317.000  1.510
   93    98   549.000  1.340
   93    99   317.000  1.510
   98   102   320.000  1.462
   98   104   317.000  1.510
  102   103   570.000  1.229
  102   112   214.000  1.327
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   84    85   553.000  0.945
   68    69   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    87    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    86    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    87    53    58.35000  112.70000
   33    87    73    58.35000  112.70000
   33    87    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    50    70.00000  112.02700
   41    46    86    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    86    70    58.35000  112.70000
   46    86    39    58.35000  112.70000
   46    86    94    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    54    68    50.00000  109.50000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    70    58.35000  112.70000
   54    62    84    50.00000  109.50000
   54    68    69    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    86    58.35000  112.70000
   62    84    85    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    86    39    58.35000  112.70000
   70    86    94    58.35000  112.70000
   72    70    71    33.00000  107.80000
   86    46    47    37.50000  110.70000
   86    46    50    58.35000  112.70000
   86    70    71    37.50000  110.70000
   86    70    72    37.50000  110.70000
   86    39    40    37.50000  110.70000
   86    39    43    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    63.00000  111.10000
   43    39    40    37.50000  110.70000
   43    48    49    80.00000  120.40000
   43    48    53    70.00000  116.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    56    63.00000  111.10000
   48    53    87    63.00000  111.10000
   48    53    58    63.00000  111.10000
   53    48    49    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    64    58.35000  112.70000
   53    56    67    58.35000  112.70000
   53    87    73    58.35000  112.70000
   53    87    91    50.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    73    58.35000  112.70000
   56    67    76    58.35000  112.70000
   56    67    78    58.35000  112.70000
   56    67    82    50.00000  109.50000
   64    56    57    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    75    37.50000  110.70000
   64    73    87    58.35000  112.70000
   66    64    65    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    87    91    50.00000  109.50000
   75    73    74    33.00000  107.80000
   87    33    37    70.00000  112.02700
   87    33    39    58.35000  112.70000
   87    53    56    58.35000  112.70000
   87    73    74    37.50000  110.70000
   87    73    75    37.50000  110.70000
   87    91    92    55.00000  108.50000
   67    56    57    37.50000  110.70000
   67    56    64    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    88    58.35000  112.70000
   67    76   112    50.00000  109.50000
   67    78    79    37.50000  110.70000
   67    78    80    37.50000  110.70000
   67    78    81    37.50000  110.70000
   67    82    83    55.00000  108.50000
   76    88    89    37.50000  110.70000
   76    88    90    37.50000  110.70000
   76    88    93    70.00000  112.02700
   76   112   102    83.00000  116.90000
   88    76    77    37.50000  110.70000
   88    93    98    70.00000  124.00000
   88    93    99    65.00000  117.92700
   90    88    89    33.00000  107.80000
   93    88    89    35.00000  109.50000
   93    88    90    35.00000  109.50000
   93    98   102    65.00000  118.96000
   93    98   104    70.00000  124.00000
   93    99   100    35.00000  109.50000
   93    99   101    35.00000  109.50000
   93    99   108    70.00000  112.02700
   98   102   103    80.00000  123.72100
   98   102   112    90.00000  111.29400
   98   104   105    35.00000  109.50000
   98   104   106    35.00000  109.50000
   98   104   107    35.00000  109.50000
  112    76    77    35.00000  109.50000
  112    76    88    50.00000  109.50000
  112   102   103    83.00000  123.40000
  104    98   102    65.00000  116.34900
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   99    93    98    70.00000  124.00000
   99   108   109    37.50000  110.70000
   99   108   110    37.50000  110.70000
   99   108   111    37.50000  110.70000
  101    99   100    33.00000  107.80000
  108    99   100    37.50000  110.70000
  108    99   101    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   78    67    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    67    76    50.00000  109.50000
   82    67    78    50.00000  109.50000
   58    53    56    58.35000  112.70000
   58    53    87    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   94    86    39    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   84    62    63    35.00000  109.50000
   84    62    70    50.00000  109.50000
   68    54    55    35.00000  109.50000
   68    54    62    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
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   56    67    76   112   0.27300  1.0 3.0
   56    67    78    79   0.15000  1.0 3.0
   56    67    78    80   0.15000  1.0 3.0
   56    67    78    81   0.15000  1.0 3.0
   56    67    82    83  -0.11600  1.0 1.0
   56    67    82    83  -0.09450 -1.0 2.0
   56    67    82    83   0.21250  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    73   0.15000  1.0 3.0
   57    56    67    76   0.15000  1.0 3.0
   57    56    67    78   0.15000  1.0 3.0
   57    56    67    82   0.23400  1.0 3.0
   64    56    67    76   0.56750  1.0 1.0
   64    56    67    76  -0.07550 -1.0 2.0
   64    56    67    76   0.20000  1.0 3.0
   64    56    67    78   0.56750  1.0 1.0
   64    56    67    78  -0.07550 -1.0 2.0
   64    56    67    78   0.20000  1.0 3.0
   64    56    67    82   0.86500  1.0 1.0
   64    56    67    82  -0.17500 -1.0 2.0
   64    56    67    82   0.20800  1.0 3.0
   64    73    87    33   0.56750  1.0 1.0
   64    73    87    33  -0.07550 -1.0 2.0
   64    73    87    33   0.20000  1.0 3.0
   64    73   -87    53   0.56750  1.0 1.0
   64    73   -87    53  -0.07550 -1.0 2.0
   64    73   -87    53   0.20000  1.0 3.0
   64    73    87    91   0.86500  1.0 1.0
   64    73    87    91  -0.17500 -1.0 2.0
   64    73    87    91   0.20800  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    75   0.15000  1.0 3.0
   65    64    73    87   0.15000  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    75   0.15000  1.0 3.0
   66    64    73    87   0.15000  1.0 3.0
   73    87    91    92  -0.11600  1.0 1.0
   73    87    91    92  -0.09450 -1.0 2.0
   73    87    91    92   0.21250  1.0 3.0
   74    73    87    33   0.15000  1.0 3.0
   74    73    87    53   0.15000  1.0 3.0
   74    73    87    91   0.23400  1.0 3.0
   75    73    87    33   0.15000  1.0 3.0
   75    73    87    53   0.15000  1.0 3.0
   75    73    87    91   0.23400  1.0 3.0
   87    33    37    38   0.00000  1.0 1.0
   87    33    37    41   0.09850  1.0 1.0
   87    33    37    41   0.15250 -1.0 2.0
   87    33    37    41  -0.50650  1.0 3.0
   87    33    39    86   0.56750  1.0 1.0
   87    33    39    86  -0.07550 -1.0 2.0
   87    33    39    86   0.20000  1.0 3.0
   87    33    39    40   0.15000  1.0 3.0
   87    33   -39    43   0.56750  1.0 1.0
   87    33   -39    43  -0.07550 -1.0 2.0
   87    33   -39    43   0.20000  1.0 3.0
   87    53    56    57   0.15000  1.0 3.0
   87    53   -56    64   0.56750  1.0 1.0
   87    53   -56    64  -0.07550 -1.0 2.0
   87    53   -56    64   0.20000  1.0 3.0
   87    53    56    67   0.56750  1.0 1.0
   87    53    56    67  -0.07550 -1.0 2.0
   87    53    56    67   0.20000  1.0 3.0
   87    53    58    59   0.15000  1.0 3.0
   87    53    58    60   0.15000  1.0 3.0
   87    53    58    61   0.15000  1.0 3.0
   67    56    64    65   0.15000  1.0 3.0
   67    56    64    66   0.15000  1.0 3.0
   67    56    64    73   0.56750  1.0 1.0
   67    56    64    73  -0.07550 -1.0 2.0
   67    56    64    73   0.20000  1.0 3.0
   67    76    88    89   0.15000  1.0 3.0
   67    76    88    90   0.15000  1.0 3.0
   67    76    88    93   0.34400  1.0 1.0
   67    76    88    93   0.09450 -1.0 2.0
   67    76    88    93   0.11100  1.0 3.0
   67    76   112   102  -0.25900  1.0 1.0
   67    76   112   102  -0.47000 -1.0 2.0
   67    76   112   102   0.11750  1.0 3.0
   76    67    78    79   0.15000  1.0 3.0
   76    67    78    80   0.15000  1.0 3.0
   76    67    78    81   0.15000  1.0 3.0
   76    67    82    83  -0.11600  1.0 1.0
   76    67    82    83  -0.09450 -1.0 2.0
   76    67    82    83   0.21250  1.0 3.0
   76    88    93    98   0.09850  1.0 1.0
   76    88    93    98   0.15250 -1.0 2.0
   76    88    93    98  -0.50650  1.0 3.0
   76    88    93    99   0.46850  1.0 1.0
   76    88    93    99   0.08550 -1.0 2.0
   76    88    93    99   0.09800  1.0 3.0
   77    76    88    89   0.15000  1.0 3.0
   77    76    88    90   0.15000  1.0 3.0
   77    76    88    93   0.15000  1.0 3.0
   77    76   112   102   0.08050  1.0 3.0
   88    76   112   102  -0.25900  1.0 1.0
   88    76   112   102  -0.47000 -1.0 2.0
   88    76   112   102   0.11750  1.0 3.0
   88    93   -98   102   7.00000 -1.0 2.0
   88    93    98   104   7.00000 -1.0 2.0
   88    93    99   100   0.34800  1.0 3.0
   88    93    99   101   0.34800  1.0 3.0
   88    93    99   108   0.46850  1.0 1.0
   88    93    99   108   0.08550 -1.0 2.0
   88    93    99   108   0.09800  1.0 3.0
   89    88    93    98   0.00000  1.0 1.0
   89    88    93    99   0.34800  1.0 3.0
   90    88    93    98   0.00000  1.0 1.0
   90    88    93    99   0.34800  1.0 3.0
   93    98   102   103   1.00000 -1.0 2.0
   93    98   102   112  -0.56150  1.0 1.0
   93    98   102   112   2.19150 -1.0 2.0
   93    98   104   105   0.00000  1.0 1.0
   93    98   104   106   0.00000  1.0 1.0
   93    98   104   107   0.00000  1.0 1.0
   93    99   108   109   0.15000  1.0 3.0
   93    99   108   110   0.15000  1.0 3.0
   93    99   108   111   0.15000  1.0 3.0
   98    93    99   100   0.00000  1.0 1.0
   98    93    99   101   0.00000  1.0 1.0
   98    93    99   108   0.09850  1.0 1.0
   98    93    99   108   0.15250 -1.0 2.0
   98    93    99   108  -0.50650  1.0 3.0
   98   102  -112    76   2.00000 -1.0 2.0
  102    98   104   105   0.15000  1.0 3.0
  102    98   104   106   0.15000  1.0 3.0
  102    98   104   107   0.15000  1.0 3.0
  103   102   112    76   3.00000 -1.0 2.0
  112    76    88    89   0.23400  1.0 3.0
  112    76    88    90   0.23400  1.0 3.0
  112    76   -88    93   0.61850  1.0 1.0
  112    76   -88    93  -0.22750 -1.0 2.0
  112    76   -88    93   0.15300  1.0 3.0
  104    98   102   103  -0.64400  1.0 1.0
  104    98   102   103   0.26850 -1.0 2.0
  104    98   102   112  -0.15000  1.0 1.0
  104    98   102   112   0.89550 -1.0 2.0
  104    98   102   112  -0.06900  1.0 3.0
   99    93    98   102   7.00000 -1.0 2.0
   99    93    98   104   7.00000 -1.0 2.0
  100    99   108   109   0.15000  1.0 3.0
  100    99   108   110   0.15000  1.0 3.0
  100    99   108   111   0.15000  1.0 3.0
  101    99   108   109   0.15000  1.0 3.0
  101    99   108   110   0.15000  1.0 3.0
  101    99   108   111   0.15000  1.0 3.0
   78    67    76    77   0.15000  1.0 3.0
   78    67    76    88   0.56750  1.0 1.0
   78    67    76    88  -0.07550 -1.0 2.0
   78    67    76    88   0.20000  1.0 3.0
   78    67    76   112   0.62750  1.0 1.0
   78    67    76   112  -0.30950 -1.0 2.0
   78    67    76   112   0.27300  1.0 3.0
   78    67    82    83  -0.11600  1.0 1.0
   78    67    82    83  -0.09450 -1.0 2.0
   78    67    82    83   0.21250  1.0 3.0
   82    67    76    77   0.23400  1.0 3.0
   82    67    76    88   0.86500  1.0 1.0
   82    67    76    88  -0.17500 -1.0 2.0
   82    67    76    88   0.20800  1.0 3.0
   82    67    76   112   3.69350  1.0 1.0
   82    67    76   112  -1.82950 -1.0 2.0
   82    67    78    79   0.23400  1.0 3.0
   82    67    78    80   0.23400  1.0 3.0
   82    67    78    81   0.23400  1.0 3.0
   58    53    56    57   0.15000  1.0 3.0
   58    53    56    64   0.56750  1.0 1.0
   58    53    56    64  -0.07550 -1.0 2.0
   58    53    56    64   0.20000  1.0 3.0
   58    53    56    67   0.56750  1.0 1.0
   58    53    56    67  -0.07550 -1.0 2.0
   58    53    56    67   0.20000  1.0 3.0
   58    53    87    33   0.56750  1.0 1.0
   58    53    87    33  -0.07550 -1.0 2.0
   58    53    87    33   0.20000  1.0 3.0
   58    53    87    73   0.56750  1.0 1.0
   58    53    87    73  -0.07550 -1.0 2.0
   58    53    87    73   0.20000  1.0 3.0
   58    53    87    91   0.86500  1.0 1.0
   58    53    87    91  -0.17500 -1.0 2.0
   58    53    87    91   0.20800  1.0 3.0
   94    86    39    33   0.56750  1.0 1.0
   94    86    39    33  -0.07550 -1.0 2.0
   94    86    39    33   0.20000  1.0 3.0
   94    86    39    40   0.15000  1.0 3.0
   94    86    39    43   0.56750  1.0 1.0
   94    86    39    43  -0.07550 -1.0 2.0
   94    86    39    43   0.20000  1.0 3.0
   84    62    70    71   0.23400  1.0 3.0
   84    62    70    72   0.23400  1.0 3.0
   84    62    70    86   0.86500  1.0 1.0
   84    62    70    86  -0.17500 -1.0 2.0
   84    62    70    86   0.20800  1.0 3.0
   68    54    62    63   0.23400  1.0 3.0
   68    54    62    70   0.86500  1.0 1.0
   68    54    62    70  -0.17500 -1.0 2.0
   68    54    62    70   0.20800  1.0 3.0
   68    54    62    84   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   43    53    48    49  10.50000 -1.0 2.0
   88    99    93    98   1.10000 -1.0 2.0
  102   104    98    93   1.10000 -1.0 2.0
   98   112   102   103  10.50000 -1.0 2.0
END
