* LIGAND DATABASE FILE (OPLS2005)
*
001     127   129    236    366     701
    1     0 S   NP   _N1_     1    29.04471    92.75871   -23.74902
    2     1 S   H    _HN1     2     1.02960    90.47925    32.20333
    3     1 S   H    _H1_     3     1.02837    18.25664  -172.27709
    4     1 S   H    _H2_     4     1.02777   107.18539   -77.16631
    5     1 S   CT   _CA1     5     1.50121   125.41293   147.88606
    6     5 S   HC   _HA1     6     1.09576   105.22846    71.54837
    7     5 S   CO3  _C1_     7     1.53780   112.38059   -48.64462
    8     7 S   O2Z  _O11     8     1.26358   115.00138   -44.02162
    9     7 S   O2Z  _O12     9     1.26238   114.91408   135.14057
   10     5 S   CT   _CB1    10     1.53096   107.42962  -170.56293
   11    10 S   HC   HB11    11     1.09825   109.30200   -50.98743
   12    10 S   HC   HB12    12     1.09819   110.42500    65.54774
   13    10 S   CT   _CG1    13     1.53019   112.69358  -172.10168
   14    13 S   HC   HG11    14     1.09596   110.44170   -64.15950
   15    13 S   HC   HG12    15     1.09653   109.97756    55.06155
   16    13 S   C    _CD1    16     1.51826   112.31975   175.38535
   17    16 S   O    _OE1    17     1.22723   123.25120    -1.98268
   18    16 S   N    _N2_    18     1.38622   111.66464   178.32124
   19    18 S   H    _HN2    19     1.01579   119.00318     1.54902
   20    18 S   CT1  _CA2    20     1.46179   123.42255   179.65508
   21    20 S   HC   _HA2    21     1.09772   109.42761    -3.35398
   22    20 S   C    _C2_    22     1.53333   108.12254  -118.52885
   23    22 S   O    _O2_    23     1.22978   122.43397  -140.04954
   24    20 S   CT   _CB2    32     1.53397   111.64402   118.60325
   25    24 S   HC   HB21    33     1.09556   110.30265    53.01288
   26    24 S   HC   HB22    34     1.09184   109.54242   171.80909
   27    22 S   N    _N3_    24     1.38551   113.16638    47.11455
   28    27 S   H    _HN3    25     1.01486   118.91406    -0.57198
   29    24 S   S    _SG2    35     1.82808   110.82790   -67.43082
   30    27 S   CT   _CA3    26     1.45417   123.33534   173.98891
   31    30 S   HC   HA31    27     1.09538   109.06575    26.56625
   32    30 S   HC   HA32    28     1.09488   106.92697   143.71447
   33    29 S   CT   _C20    36     1.87175   101.83901  -167.06434
   34    30 S   CO3  _C3_    29     1.53069   114.33651   -96.15283
   35    34 S   O2Z  _O31    30     1.26282   116.35542   -13.51223
   36    34 S   O2Z  _O32    31     1.26491   114.27132   167.15824
   37    33 S   CT   _C15    37     1.57120   111.59262    70.95347
   38    37 S   HC   _H3_    38     1.10063   105.47917   -61.91752
   39    33 S   OH   _O36   126     1.44561   107.52592   -46.25458
   40    39 S   HO   _H16   127     0.97161   108.12633    78.81210
   41    37 S   CMA  _C16    39     1.54946   109.47575  -177.07029
   42    41 S   OM   _O35    40     1.26578   111.13262   140.00756
   43    37 S   CT   _C14    65     1.56032   115.67154    56.91889
   44    43 S   HC   _H14    66     1.09473   110.05666    79.81943
   45    43 S   HC   _H15    67     1.09510   111.57330   -36.09527
   46    41 S   CM   _C17    41     1.35192   118.45230   -38.02038
   47    43 S   CA   _C12    68     1.52318   114.02216  -157.12044
   48    46 S   CO4  _C18    42     1.49084   123.25164     2.63960
   49    48 S   O    _O37    43     1.23476   118.30513  -165.83028
   50    46 S   CO4  _C23    53     1.49848   117.97769  -178.57880
   51    50 S   O    _O38    54     1.22964   120.89015    68.71502
   52    47 S   CA   _C13    69     1.40504   120.41771    74.80151
   53    33 S   CT   _C19    44     1.57358   110.72857  -162.46255
   54    50 S   CT   _C24    55     1.51697   116.51702  -111.00190
   55    54 S   HC   _H23    56     1.09591   107.66209   101.83984
   56    54 S   HC   _H24    57     1.09578   109.86397   -14.95854
   57    52 S   CA   _C8_    70     1.39863   120.53452  -177.02810
   58    52 S   OH   _O34   124     1.37069   117.73016     3.91161
   59    58 S   HO   _H13   125     0.97118   110.22653   166.42758
   60    53 S   CT   _C21    45     1.55391   110.79835    75.88766
   61    60 S   HC   _H17    46     1.09475   111.74040   -56.45767
   62    60 S   HC   _H18    47     1.09702   111.34039  -176.22063
   63    60 S   HC   _H19    48     1.09605   111.80425    65.13446
   64    53 S   CT   _C22    49     1.54699   115.73474   -45.54152
   65    64 S   HC   _H20    50     1.09443   112.30076    64.94140
   66    64 S   HC   _H21    51     1.08960   113.06183   -57.85873
   67    64 S   HC   _H22    52     1.09761   110.97074  -176.48765
   68    54 S   CT   _C25    58     1.52530   111.18363  -136.71386
   69    68 S   HC   _H25    59     1.09658   109.86847    56.66264
   70    68 S   HC   _H26    60     1.09647   110.08583   -60.55790
   71    57 S   CA   _C9_    71     1.40146   120.05100    -3.11985
   72    57 S   CO4  _C7_   112     1.47719   120.86584   174.75962
   73    72 S   O    _O33   113     1.22654   118.67282   119.08356
   74    68 S   CT   _C26    61     1.51973   111.50396   178.11519
   75    74 S   HC   _H27    62     1.09468   110.98397    60.05995
   76    74 S   HC   _H28    63     1.09448   110.26899   179.81233
   77    74 S   HC   _H29    64     1.09470   111.00518   -60.46162
   78    71 S   CA   _C10    72     1.40593   120.93641     2.73423
   79    71 S   OH   _O44   110     1.37314   121.16142  -177.99582
   80    79 S   HO   _H46   111     0.97288   109.55523    12.77455
   81    72 S   CT   _C6_   114     1.51681   117.28918   -65.90812
   82    81 S   HC   _H11   115     1.09522   110.46477    22.34727
   83    81 S   HC   _H12   116     1.09650   107.17510   -94.33600
   84    47 S   CA   _C11    73     1.41065   121.05390  -103.89856
   85    78 S   CT   _C27    76     1.51647   120.23190   177.77516
   86    85 S   HC   _H31    77     1.09606   109.75946    27.07574
   87    85 S   HC   _H32    78     1.09812   108.80070   139.86030
   88    81 S   CT   _C5_   117     1.52506   111.55600   144.69072
   89    88 S   HC   _H9_   118     1.09634   110.26959    56.34756
   90    88 S   HC   _H10   119     1.09620   109.77954   -60.98780
   91    84 S   OH   _O39    74     1.37347   117.06226    -1.69350
   92    91 S   HO   _H30    75     0.96927   110.49124   162.41980
   93    85 S   CT   _C28    79     1.53684   112.88110   -96.79971
   94    93 S   HC   _H4_    80     1.09912   110.41313   -47.45881
   95    88 S   CT   _C4_   120     1.51992   111.31359   177.55463
   96    95 S   HC   _H6_   121     1.09426   111.09029    59.96835
   97    95 S   HC   _H7_   122     1.09475   110.93099   -60.45347
   98    95 S   HC   _H8_   123     1.09384   110.36384   179.90513
   99    93 S   CO4  _C29    81     1.51172   112.05246    70.07066
  100    99 S   O    _O40    82     1.23168   120.67125   -95.67053
  101    99 S   CT   _C30    83     1.51203   117.17621    80.23418
  102   101 S   HC   _H5_    84     1.09682   107.53869   -65.93843
  103   101 S   CO4  _C31    85     1.51813   111.78612    49.55337
  104   103 S   O    _O41    86     1.23373   120.85605   144.32524
  105   101 S   CO4  _C36    98     1.52783   111.24057   177.50409
  106   105 S   O    _O43    99     1.23091   121.67945   -85.10257
  107   103 S   CT   _C32    87     1.53196   117.99481   -42.82649
  108   105 S   CT   _C37   100     1.52165   116.06181    92.25946
  109   108 S   HC   _H39   101     1.09562   107.93901    59.27561
  110   108 S   HC   _H40   102     1.09527   107.96183   -57.99882
  111    93 S   CO4  _C33    88     1.51537   109.81946  -163.15126
  112   111 S   O    _O42    89     1.23558   118.95182    81.04649
  113   107 S   CT   _C34    90     1.53377   107.90275   -88.89520
  114   113 S   HC   _H33    91     1.09594   111.42637   178.84208
  115   113 S   HC   _H34    92     1.09479   111.66438    58.75518
  116   113 S   HC   _H35    93     1.09622   111.23475   -60.64625
  117   107 S   CT   _C35    94     1.54097   108.33572   152.92158
  118   117 S   HC   _H36    95     1.09610   111.77963   177.36225
  119   117 S   HC   _H37    96     1.09609   111.83078    57.23377
  120   117 S   HC   _H38    97     1.09654   110.78519   -62.70121
  121   108 S   CT   _C38   103     1.52553   112.64460  -179.28236
  122   121 S   HC   _H41   104     1.09652   109.95431   -59.11171
  123   121 S   HC   _H42   105     1.09657   109.96940    58.23315
  124   121 S   CT   _C39   106     1.52001   111.43051   179.49101
  125   124 S   HC   _H43   107     1.09482   110.99000   -60.22646
  126   124 S   HC   _H44   108     1.09447   110.27167  -179.96574
  127   124 S   HC   _H45   109     1.09469   110.99817    60.27713
  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  11   5   4   3
  22   2   1   1  17   9   7   1  12   4  11   4   3  11  11  13
   4   9   4  11   8   9   5   4  14   4   1   7   3   2   1   3
   2   1   1   6   5   4  12  10   4   3   2   1   1  12   3   1
   9   5   4   6  11   5   4   6   5   4   1   1  12   6   3   2
   1   1  11   5  13   6  15   5   9   4  10   9   5   4   9   2
   7   3   2   1   3   2   1   1   6   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    53    60    64    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    48    49    53    60    61    62    63    64    65    66    67    43    44    45    47    39    40  
   35    36  
   36  
    0  
   38    41    42    46    48    53    60    64    50    43    44    45    47    52    84    39    40  
   41    42    46    53    43    44    45    47    39  
   40    41    43    48    53    60    64  
   53  
   42    46    48    49    53    50    51    54    43    44    45    47  
   46    48    50    43  
   44    45    47    52    57    78    84    91    58    46    53  
   45    47    52    84  
   47    52    84  
   48    49    53    60    64    50    51    54    55    56    68  
   52    57    71    78    84    91    92    85    72    58    59  
   49    53    60    61    62    63    64    65    66    67    50    51    54  
   53    60    64    50  
   51    54    55    56    68    69    70    74    53  
   54    55    56    68  
   57    71    78    84    91    79    72    73    81    58    59  
   60    61    62    63    64    65    66    67  
   55    56    68    69    70    74    75    76    77  
   56    68    69    70    74  
   68    69    70    74  
   71    78    84    85    79    80    72    73    81    82    83    88    58    59  
   59    71    72    84  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    74    75    76    77  
   70    74    75    76    77  
   74    75    76    77  
   78    84    91    85    86    87    93    79    80    72    73    81  
   73    81    82    83    88    89    90    95    78    79  
   81    82    83    88  
   75    76    77  
   76    77  
   77  
    0  
   84    91    92    85    86    87    93    94    99   111    79    80  
   80    84    85  
    0  
   82    83    88    89    90    95    96    97    98  
   83    88    89    90    95  
   88    89    90    95  
   91    92    85    86    87    93  
   86    87    93    94    99   100   101   107   111   112    91  
   87    93    94    99   111  
   93    94    99   111  
   89    90    95    96    97    98  
   90    95    96    97    98  
   95    96    97    98  
   92  
    0  
   94    99   100   101   102   103   107   111   112   113   117   105  
   99   100   101   107   111   112  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   107   111   112   105   106   108  
  101   102   103   111   105  
  102   103   104   107   111   113   117   105   106   108   109   110   121  
  103   104   107   105   106   108  
  104   107   111   112   113   114   115   116   117   118   119   120   105   106   108  
  107   111   113   117   105  
  106   108   109   110   121   122   123   124   107  
  108   109   110   121  
  111   112   113   114   115   116   117   118   119   120  
  109   110   121   122   123   124   125   126   127  
  110   121   122   123   124  
  121   122   123   124  
  112   113   114   115   116   117   118   119   120  
  113   117  
  114   115   116   117   118   119   120  
  115   116   117  
  116   117  
  117  
  118   119   120  
  119   120  
  120  
    0  
  122   123   124   125   126   127  
  123   124   125   126   127  
  124   125   126   127  
  125   126   127  
  126   127  
  127  
    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   0.432500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.005000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660  -0.005000   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  121   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  124   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  125   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  126   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  127   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    53   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   270.000  1.512
   37    43   268.000  1.529
   41    42   745.000  1.250
   41    46   465.000  1.376
   46    48   320.000  1.462
   46    50   320.000  1.462
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    60   268.000  1.529
   53    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   317.000  1.510
   47    52   469.000  1.400
   47    84   469.000  1.400
   52    57   469.000  1.400
   52    58   450.000  1.364
   57    71   469.000  1.400
   57    72   310.000  1.470
   71    78   469.000  1.400
   71    79   450.000  1.364
   78    84   469.000  1.400
   78    85   317.000  1.510
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   268.000  1.529
   93    94   340.000  1.090
   93    99   317.000  1.522
   93   111   317.000  1.522
   99   100   570.000  1.229
   99   101   317.000  1.522
  101   102   340.000  1.090
  101   103   317.000  1.522
  101   105   317.000  1.522
  103   104   570.000  1.229
  103   107   317.000  1.522
  107   111   317.000  1.522
  107   113   268.000  1.529
  107   117   268.000  1.529
  111   112   570.000  1.229
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  117   118   340.000  1.090
  117   119   340.000  1.090
  117   120   340.000  1.090
  105   106   570.000  1.229
  105   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   121   268.000  1.529
  121   122   340.000  1.090
  121   123   340.000  1.090
  121   124   268.000  1.529
  124   125   340.000  1.090
  124   126   340.000  1.090
  124   127   340.000  1.090
   79    80   553.000  0.945
   72    73   570.000  1.229
   72    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   58    59   553.000  0.945
   39    40   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  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    37    43    58.35000  112.70000
   33    53    48    63.00000  111.10000
   33    53    60    58.35000  112.70000
   33    53    64    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    85.00000  112.85300
   37    41    46    65.00000  122.18000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    70.00000  112.17500
   41    37    38    45.00000  110.52000
   41    46    48    60.00000  125.92000
   41    46    50    60.00000  125.92000
   46    41    42    65.00000  137.10300
   46    48    49    80.00000  123.72100
   46    48    53    65.00000  118.62400
   46    50    51    80.00000  123.72100
   46    50    54    65.00000  118.62400
   48    53    60    63.00000  111.10000
   48    53    64    63.00000  111.10000
   53    33    37    58.35000  112.70000
   53    48    49    80.00000  120.40000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    37.50000  110.70000
   53    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    53    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   50    46    48    65.00000  115.30000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    68    63.00000  111.10000
   54    50    51    80.00000  120.40000
   54    68    69    37.50000  110.70000
   54    68    70    37.50000  110.70000
   54    68    74    58.35000  112.70000
   56    54    55    33.00000  107.80000
   68    54    55    37.50000  110.70000
   68    54    56    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    70.00000  112.02700
   43    47    52    70.00000  120.00000
   43    47    84    70.00000  120.00000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    52    57    63.00000  120.00000
   47    52    58    70.00000  120.00000
   47    84    78    63.00000  120.00000
   47    84    91    70.00000  120.00000
   52    57    71    63.00000  120.00000
   52    57    72    60.00000  119.52600
   52    58    59    35.00000  113.00000
   57    71    78    63.00000  120.00000
   57    71    79    70.00000  120.00000
   57    72    73    75.00000  123.78400
   57    72    81    65.00000  115.47100
   71    78    84    63.00000  120.00000
   71    78    85    70.00000  120.00000
   71    79    80    35.00000  113.00000
   78    84    91    70.00000  120.00000
   78    85    86    35.00000  109.50000
   78    85    87    35.00000  109.50000
   78    85    93    70.00000  112.17500
   84    47    52    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    78    84    70.00000  120.00000
   85    93    94    37.50000  110.70000
   85    93    99    63.00000  111.10000
   85    93   111    63.00000  111.10000
   87    85    86    33.00000  107.80000
   93    85    86    37.50000  110.70000
   93    85    87    37.50000  110.70000
   93    99   100    80.00000  120.40000
   93    99   101    70.00000  116.00000
   93   111   107    70.00000  116.00000
   93   111   112    80.00000  120.40000
   99    93    94    35.00000  109.50000
   99   101   102    35.00000  109.50000
   99   101   103    75.00000  107.99600
   99   101   105    75.00000  107.99600
  101    99   100    80.00000  120.40000
  101   103   104    80.00000  120.40000
  101   103   107    70.00000  116.00000
  101   105   106    80.00000  120.40000
  101   105   108    70.00000  116.00000
  103   101   102    35.00000  109.50000
  103   107   111    75.00000  107.99600
  103   107   113    63.00000  111.10000
  103   107   117    63.00000  111.10000
  107   103   104    80.00000  120.40000
  107   111   112    80.00000  120.40000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  107   117   118    37.50000  110.70000
  107   117   119    37.50000  110.70000
  107   117   120    37.50000  110.70000
  111    93    94    35.00000  109.50000
  111    93    99    75.00000  107.99600
  113   107   111    63.00000  111.10000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  117   107   111    63.00000  111.10000
  117   107   113    58.35000  112.70000
  119   117   118    33.00000  107.80000
  120   117   118    33.00000  107.80000
  120   117   119    33.00000  107.80000
  105   101   102    35.00000  109.50000
  105   101   103    75.00000  107.99600
  105   108   109    35.00000  109.50000
  105   108   110    35.00000  109.50000
  105   108   121    63.00000  111.10000
  108   105   106    80.00000  120.40000
  108   121   122    37.50000  110.70000
  108   121   123    37.50000  110.70000
  108   121   124    58.35000  112.70000
  110   108   109    33.00000  107.80000
  121   108   109    37.50000  110.70000
  121   108   110    37.50000  110.70000
  121   124   125    37.50000  110.70000
  121   124   126    37.50000  110.70000
  121   124   127    37.50000  110.70000
  123   121   122    33.00000  107.80000
  124   121   122    37.50000  110.70000
  124   121   123    37.50000  110.70000
  126   124   125    33.00000  107.80000
  127   124   125    33.00000  107.80000
  127   124   126    33.00000  107.80000
   79    71    78    70.00000  120.00000
   72    57    71    60.00000  119.52600
   72    81    82    35.00000  109.50000
   72    81    83    35.00000  109.50000
   72    81    88    63.00000  111.10000
   81    72    73    80.00000  120.40000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    95    58.35000  112.70000
   83    81    82    33.00000  107.80000
   88    81    82    37.50000  110.70000
   88    81    83    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    37.50000  110.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   58    52    57    70.00000  120.00000
   39    33    37    50.00000  109.50000
   39    33    53    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    60   0.44750  1.0 1.0
   29    33    53    60  -0.17800 -1.0 2.0
   29    33    53    60   0.20200  1.0 3.0
   29    33    53    64   0.44750  1.0 1.0
   29    33    53    64  -0.17800 -1.0 2.0
   29    33    53    64   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.09700  1.0 1.0
   33    37    41    42   0.15600 -1.0 2.0
   33    37    41    42  -0.50800  1.0 3.0
   33    37    41    46   0.09850  1.0 1.0
   33    37    41    46   0.15250 -1.0 2.0
   33    37    41    46  -0.50650  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    53    60    61   0.15000  1.0 3.0
   33    53    60    62   0.15000  1.0 3.0
   33    53    60    63   0.15000  1.0 3.0
   33    53    64    65   0.15000  1.0 3.0
   33    53    64    66   0.15000  1.0 3.0
   33    53    64    67   0.15000  1.0 3.0
   37    33    53    48  -0.95700  1.0 1.0
   37    33    53    48  -0.18200 -1.0 2.0
   37    33    53    48   0.29450  1.0 3.0
   37    33    53    60   0.56750  1.0 1.0
   37    33    53    60  -0.07550 -1.0 2.0
   37    33    53    60   0.20000  1.0 3.0
   37    33    53    64   0.56750  1.0 1.0
   37    33    53    64  -0.07550 -1.0 2.0
   37    33    53    64   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -46    48   7.00000 -1.0 2.0
   37    41    46    50   7.00000 -1.0 2.0
   37    43    47    52   0.04150 -1.0 2.0
   37    43    47    84   0.04150 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    46   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   41    37    43    44   0.15000  1.0 3.0
   41    37    43    45   0.15000  1.0 3.0
   41    37    43    47   0.21200  1.0 1.0
   41    37    43    47   0.16900 -1.0 2.0
   41    37    43    47  -1.15100  1.0 3.0
   41    46    48    49   1.00000 -1.0 2.0
   41    46    48    53  -0.33500  1.0 1.0
   41    46    48    53   1.06600 -1.0 2.0
   41    46    48    53  -0.14000  1.0 3.0
   41    46    50    51   1.00000 -1.0 2.0
   41    46    50    54  -0.33500  1.0 1.0
   41    46    50    54   1.06600 -1.0 2.0
   41    46    50    54  -0.14000  1.0 3.0
   42    41    46    48   7.00000 -1.0 2.0
   42    41    46    50   7.00000 -1.0 2.0
   46    48   -53    33   0.65300  1.0 1.0
   46    48   -53    33  -0.03850 -1.0 2.0
   46    48   -53    33   0.33900  1.0 3.0
   46    48    53    60   0.65300  1.0 1.0
   46    48    53    60  -0.03850 -1.0 2.0
   46    48    53    60   0.33900  1.0 3.0
   46    48    53    64   0.65300  1.0 1.0
   46    48    53    64  -0.03850 -1.0 2.0
   46    48    53    64   0.33900  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    68   0.65300  1.0 1.0
   46    50    54    68  -0.03850 -1.0 2.0
   46    50    54    68   0.33900  1.0 3.0
   48    46    50    51   2.50000 -1.0 2.0
   48    46    50    54   1.50000 -1.0 2.0
   48    53    60    61  -0.11250  1.0 3.0
   48    53    60    62  -0.11250  1.0 3.0
   48    53    60    63  -0.11250  1.0 3.0
   48    53    64    65  -0.11250  1.0 3.0
   48    53    64    66  -0.11250  1.0 3.0
   48    53    64    67  -0.11250  1.0 3.0
   49    48    53    33   0.30150 -1.0 2.0
   49    48    53    60   0.30150 -1.0 2.0
   49    48    53    64   0.30150 -1.0 2.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    41   0.34400  1.0 1.0
   53    33   -37    41   0.09450 -1.0 2.0
   53    33   -37    41   0.11100  1.0 3.0
   53    33    37    43   0.56750  1.0 1.0
   53    33    37    43  -0.07550 -1.0 2.0
   53    33    37    43   0.20000  1.0 3.0
   53    33    39    40  -0.11600  1.0 1.0
   53    33    39    40  -0.09450 -1.0 2.0
   53    33    39    40   0.21250  1.0 3.0
   60    53    64    65   0.15000  1.0 3.0
   60    53    64    66   0.15000  1.0 3.0
   60    53    64    67   0.15000  1.0 3.0
   64    53    60    61   0.15000  1.0 3.0
   64    53    60    62   0.15000  1.0 3.0
   64    53    60    63   0.15000  1.0 3.0
   50    46    48    49   2.50000 -1.0 2.0
   50    46    48    53   1.50000 -1.0 2.0
   50    54    68    69  -0.11250  1.0 3.0
   50    54    68    70  -0.11250  1.0 3.0
   50    54    68    74  -0.95700  1.0 1.0
   50    54    68    74  -0.18200 -1.0 2.0
   50    54    68    74   0.29450  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    68   0.30150 -1.0 2.0
   54    68    74    75   0.15000  1.0 3.0
   54    68    74    76   0.15000  1.0 3.0
   54    68    74    77   0.15000  1.0 3.0
   55    54    68    69   0.15000  1.0 3.0
   55    54    68    70   0.15000  1.0 3.0
   55    54    68    74   0.15000  1.0 3.0
   56    54    68    69   0.15000  1.0 3.0
   56    54    68    70   0.15000  1.0 3.0
   56    54    68    74   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   43    37    41    42   0.09700  1.0 1.0
   43    37    41    42   0.15600 -1.0 2.0
   43    37    41    42  -0.50800  1.0 3.0
   43    37    41    46   0.09850  1.0 1.0
   43    37    41    46   0.15250 -1.0 2.0
   43    37    41    46  -0.50650  1.0 3.0
   43    47    52    57   3.62500 -1.0 2.0
   43    47    52    58   3.62500 -1.0 2.0
   43    47    84    78   3.62500 -1.0 2.0
   43    47    84    91   3.62500 -1.0 2.0
   44    43    47    52   0.00000  1.0 1.0
   44    43    47    84   0.00000  1.0 1.0
   45    43    47    52   0.00000  1.0 1.0
   45    43    47    84   0.00000  1.0 1.0
   47    52    57    71   3.62500 -1.0 2.0
   47    52    57    72   3.62500 -1.0 2.0
   47    52    58    59   0.84100 -1.0 2.0
   47    84    91    92   0.84100 -1.0 2.0
   52    47    84    78   3.62500 -1.0 2.0
   52    47    84    91   3.62500 -1.0 2.0
   52    57   -71    78   3.62500 -1.0 2.0
   52    57    71    79   3.62500 -1.0 2.0
   52    57    72    73   1.05000 -1.0 2.0
   52    57    72    81   2.26350  1.0 1.0
   52    57    72    81   0.76750 -1.0 2.0
   52    57    72    81   0.22500  1.0 3.0
   57    52    58    59   0.84100 -1.0 2.0
   57    71    78    84   3.62500 -1.0 2.0
   57    71    78    85   3.62500 -1.0 2.0
   57    71    79    80   0.84100 -1.0 2.0
   57    72    81    82   0.00000  1.0 1.0
   57    72    81    83   0.00000  1.0 1.0
   57    72    81    88   0.05850 -1.0 2.0
   57    72    81    88   0.17250  1.0 3.0
   71    57    72    73   1.05000 -1.0 2.0
   71    57    72    81   2.26350  1.0 1.0
   71    57    72    81   0.76750 -1.0 2.0
   71    57    72    81   0.22500  1.0 3.0
   71    78   -84    47   3.62500 -1.0 2.0
   71    78    84    91   3.62500 -1.0 2.0
   71    78    85    86   0.00000  1.0 1.0
   71    78    85    87   0.00000  1.0 1.0
   71    78    85    93   0.04150 -1.0 2.0
   78    71    79    80   0.84100 -1.0 2.0
   78    84    91    92   0.84100 -1.0 2.0
   78    85    93    94   0.43200  1.0 3.0
   78    85    93    99   0.56750  1.0 1.0
   78    85    93    99  -0.07550 -1.0 2.0
   78    85    93    99   0.20000  1.0 3.0
   78    85    93   111   0.56750  1.0 1.0
   78    85    93   111  -0.07550 -1.0 2.0
   78    85    93   111   0.20000  1.0 3.0
   84    47   -52    57   3.62500 -1.0 2.0
   84    47    52    58   3.62500 -1.0 2.0
   84    78    85    86   0.00000  1.0 1.0
   84    78    85    87   0.00000  1.0 1.0
   84    78    85    93   0.04150 -1.0 2.0
   85    78    84    47   3.62500 -1.0 2.0
   85    78    84    91   3.62500 -1.0 2.0
   85    93    99   100   0.30150 -1.0 2.0
   85    93    99   101   0.60050  1.0 1.0
   85    93    99   101   0.05600 -1.0 2.0
   85    93    99   101   0.26150  1.0 3.0
   85    93   111   107   0.60050  1.0 1.0
   85    93   111   107   0.05600 -1.0 2.0
   85    93   111   107   0.26150  1.0 3.0
   85    93   111   112   0.30150 -1.0 2.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    99  -0.11250  1.0 3.0
   86    85    93   111  -0.11250  1.0 3.0
   87    85    93    94   0.15000  1.0 3.0
   87    85    93    99  -0.11250  1.0 3.0
   87    85    93   111  -0.11250  1.0 3.0
   93    99   101   102   0.00000  1.0 1.0
   93    99   101   103   0.65300  1.0 1.0
   93    99   101   103  -0.03850 -1.0 2.0
   93    99   101   103   0.33900  1.0 3.0
   93    99   101   105   0.65300  1.0 1.0
   93    99   101   105  -0.03850 -1.0 2.0
   93    99   101   105   0.33900  1.0 3.0
   94    93    99   100   0.00000  1.0 1.0
   94    93    99   101   0.00000  1.0 1.0
   94    93   111   107   0.00000  1.0 1.0
   94    93   111   112   0.00000  1.0 1.0
   99    93   111   107   0.65300  1.0 1.0
   99    93   111   107  -0.03850 -1.0 2.0
   99    93   111   107   0.33900  1.0 3.0
   99    93   111   112   0.30150 -1.0 2.0
   99   101   103   104   0.30150 -1.0 2.0
   99   101  -103   107   0.65300  1.0 1.0
   99   101  -103   107  -0.03850 -1.0 2.0
   99   101  -103   107   0.33900  1.0 3.0
   99   101   105   106   0.30150 -1.0 2.0
   99   101   105   108   0.65300  1.0 1.0
   99   101   105   108  -0.03850 -1.0 2.0
   99   101   105   108   0.33900  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.30150 -1.0 2.0
  100    99   101   105   0.30150 -1.0 2.0
  101   103   107   111   0.65300  1.0 1.0
  101   103   107   111  -0.03850 -1.0 2.0
  101   103   107   111   0.33900  1.0 3.0
  101   103   107   113   0.60050  1.0 1.0
  101   103   107   113   0.05600 -1.0 2.0
  101   103   107   113   0.26150  1.0 3.0
  101   103   107   117   0.60050  1.0 1.0
  101   103   107   117   0.05600 -1.0 2.0
  101   103   107   117   0.26150  1.0 3.0
  101   105   108   109   0.00000  1.0 1.0
  101   105   108   110   0.00000  1.0 1.0
  101   105   108   121   0.60050  1.0 1.0
  101   105   108   121   0.05600 -1.0 2.0
  101   105   108   121   0.26150  1.0 3.0
  102   101   103   104   0.00000  1.0 1.0
  102   101   103   107   0.00000  1.0 1.0
  102   101   105   106   0.00000  1.0 1.0
  102   101   105   108   0.00000  1.0 1.0
  103   101   105   106   0.30150 -1.0 2.0
  103   101   105   108   0.65300  1.0 1.0
  103   101   105   108  -0.03850 -1.0 2.0
  103   101   105   108   0.33900  1.0 3.0
  103   107  -111    93   0.65300  1.0 1.0
  103   107  -111    93  -0.03850 -1.0 2.0
  103   107  -111    93   0.33900  1.0 3.0
  103   107   111   112   0.30150 -1.0 2.0
  103   107   113   114  -0.11250  1.0 3.0
  103   107   113   115  -0.11250  1.0 3.0
  103   107   113   116  -0.11250  1.0 3.0
  103   107   117   118  -0.11250  1.0 3.0
  103   107   117   119  -0.11250  1.0 3.0
  103   107   117   120  -0.11250  1.0 3.0
  104   103   107   111   0.30150 -1.0 2.0
  104   103   107   113   0.30150 -1.0 2.0
  104   103   107   117   0.30150 -1.0 2.0
  111    93    99   100   0.30150 -1.0 2.0
  111    93   -99   101   0.65300  1.0 1.0
  111    93   -99   101  -0.03850 -1.0 2.0
  111    93   -99   101   0.33900  1.0 3.0
  111   107   113   114  -0.11250  1.0 3.0
  111   107   113   115  -0.11250  1.0 3.0
  111   107   113   116  -0.11250  1.0 3.0
  111   107   117   118  -0.11250  1.0 3.0
  111   107   117   119  -0.11250  1.0 3.0
  111   107   117   120  -0.11250  1.0 3.0
  113   107   111    93   0.60050  1.0 1.0
  113   107   111    93   0.05600 -1.0 2.0
  113   107   111    93   0.26150  1.0 3.0
  113   107   111   112   0.30150 -1.0 2.0
  113   107   117   118   0.15000  1.0 3.0
  113   107   117   119   0.15000  1.0 3.0
  113   107   117   120   0.15000  1.0 3.0
  117   107   111    93   0.60050  1.0 1.0
  117   107   111    93   0.05600 -1.0 2.0
  117   107   111    93   0.26150  1.0 3.0
  117   107   111   112   0.30150 -1.0 2.0
  117   107   113   114   0.15000  1.0 3.0
  117   107   113   115   0.15000  1.0 3.0
  117   107   113   116   0.15000  1.0 3.0
  105   101   103   104   0.30150 -1.0 2.0
  105   101   103   107   0.65300  1.0 1.0
  105   101   103   107  -0.03850 -1.0 2.0
  105   101   103   107   0.33900  1.0 3.0
  105   108   121   122  -0.11250  1.0 3.0
  105   108   121   123  -0.11250  1.0 3.0
  105   108   121   124  -0.95700  1.0 1.0
  105   108   121   124  -0.18200 -1.0 2.0
  105   108   121   124   0.29450  1.0 3.0
  106   105   108   109   0.00000  1.0 1.0
  106   105   108   110   0.00000  1.0 1.0
  106   105   108   121   0.30150 -1.0 2.0
  108   121   124   125   0.15000  1.0 3.0
  108   121   124   126   0.15000  1.0 3.0
  108   121   124   127   0.15000  1.0 3.0
  109   108   121   122   0.15000  1.0 3.0
  109   108   121   123   0.15000  1.0 3.0
  109   108   121   124   0.15000  1.0 3.0
  110   108   121   122   0.15000  1.0 3.0
  110   108   121   123   0.15000  1.0 3.0
  110   108   121   124   0.15000  1.0 3.0
  122   121   124   125   0.15000  1.0 3.0
  122   121   124   126   0.15000  1.0 3.0
  122   121   124   127   0.15000  1.0 3.0
  123   121   124   125   0.15000  1.0 3.0
  123   121   124   126   0.15000  1.0 3.0
  123   121   124   127   0.15000  1.0 3.0
   79    71    78    84   3.62500 -1.0 2.0
   79    71    78    85   3.62500 -1.0 2.0
   72    57    71    78   3.62500 -1.0 2.0
   72    57    71    79   3.62500 -1.0 2.0
   72    81    88    89  -0.11250  1.0 3.0
   72    81    88    90  -0.11250  1.0 3.0
   72    81    88    95  -0.95700  1.0 1.0
   72    81    88    95  -0.18200 -1.0 2.0
   72    81    88    95   0.29450  1.0 3.0
   73    72    81    82   0.00000  1.0 1.0
   73    72    81    83   0.00000  1.0 1.0
   73    72    81    88   0.30150 -1.0 2.0
   81    88    95    96   0.15000  1.0 3.0
   81    88    95    97   0.15000  1.0 3.0
   81    88    95    98   0.15000  1.0 3.0
   82    81    88    89   0.15000  1.0 3.0
   82    81    88    90   0.15000  1.0 3.0
   82    81    88    95   0.15000  1.0 3.0
   83    81    88    89   0.15000  1.0 3.0
   83    81    88    90   0.15000  1.0 3.0
   83    81    88    95   0.15000  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95    98   0.15000  1.0 3.0
   90    88    95    96   0.15000  1.0 3.0
   90    88    95    97   0.15000  1.0 3.0
   90    88    95    98   0.15000  1.0 3.0
   58    52    57    71   3.62500 -1.0 2.0
   58    52    57    72   3.62500 -1.0 2.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41   1.05650  1.0 1.0
   39    33    37    41   0.15600 -1.0 2.0
   39    33    37    41   0.53150  1.0 3.0
   39    33    37    43   0.86500  1.0 1.0
   39    33    37    43  -0.17500 -1.0 2.0
   39    33    37    43   0.20800  1.0 3.0
   39    33    53    48  -0.09450  1.0 1.0
   39    33    53    48  -1.12950 -1.0 2.0
   39    33    53    48   0.54000  1.0 3.0
   39    33    53    60   0.86500  1.0 1.0
   39    33    53    60  -0.17500 -1.0 2.0
   39    33    53    60   0.20800  1.0 3.0
   39    33    53    64   0.86500  1.0 1.0
   39    33    53    64  -0.17500 -1.0 2.0
   39    33    53    64   0.20800  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
   37    42    41    46   1.10000 -1.0 2.0
   48    50    46    41   1.10000 -1.0 2.0
   46    53    48    49  10.50000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   52    84    47    43   4.00000 -1.0 2.0
   57    58    52    47   4.00000 -1.0 2.0
   71    72    57    52   4.00000 -1.0 2.0
   78    79    71    57   4.00000 -1.0 2.0
   84    85    78    71   4.00000 -1.0 2.0
   78    91    84    47   4.00000 -1.0 2.0
   93   101    99   100  10.50000 -1.0 2.0
  101   107   103   104  10.50000 -1.0 2.0
   93   107   111   112  10.50000 -1.0 2.0
  101   108   105   106  10.50000 -1.0 2.0
   57    81    72    73  10.50000 -1.0 2.0
END
