* LIGAND DATABASE FILE (OPLS2005)
*
001     117   121    228    364     683
    1     0 S   NP   _N1_     1    28.91618    93.04807   -21.50912
    2     1 S   H    _HN1     2     1.02772    94.98656   -63.81802
    3     1 S   H    _H1_     3     1.02981    99.27289    45.41495
    4     1 S   H    _H2_     4     1.02802    19.09228   161.85423
    5     1 S   CT   _CA1     5     1.50156   129.82325   171.69161
    6     5 S   HC   _HA1     6     1.09570   105.26901    58.03502
    7     5 S   CO3  _C1_     7     1.53686   112.52279   -62.07652
    8     7 S   O2Z  _O11     8     1.26345   115.09365   -41.58906
    9     7 S   O2Z  _O12     9     1.26238   114.96083   137.69574
   10     5 S   CT   _CB1    10     1.52934   107.06428   175.81385
   11    10 S   HC   HB11    11     1.09817   109.04953   -51.80411
   12    10 S   HC   HB12    12     1.09675   110.37403    64.56558
   13    10 S   CT   _CG1    13     1.52880   113.39667  -173.53340
   14    13 S   HC   HG11    14     1.09577   110.27974   -63.62676
   15    13 S   HC   HG12    15     1.09601   110.39936    55.84352
   16    13 S   C    _CD1    16     1.51803   111.47688   175.64086
   17    16 S   O    _OE1    17     1.22787   123.04982   -16.92292
   18    16 S   N    _N2_    18     1.38521   112.06330   164.23022
   19    18 S   H    _HN2    19     1.01583   119.21834     0.28324
   20    18 S   CT1  _CA2    20     1.46111   122.99518  -179.47586
   21    20 S   HC   _HA2    21     1.09741   109.28754   -14.83697
   22    20 S   C    _C2_    22     1.53444   108.35349  -130.41113
   23    22 S   O    _O2_    23     1.23011   122.27124  -146.31647
   24    20 S   CT   _CB2    32     1.53426   111.78841   107.09569
   25    24 S   HC   HB21    33     1.09586   109.93727    56.78410
   26    24 S   HC   HB22    34     1.09420   109.66986   175.57349
   27    22 S   N    _N3_    24     1.38522   113.35160    41.08716
   28    27 S   H    _HN3    25     1.01532   118.90690    -0.58047
   29    24 S   S    _SG2    35     1.83041   112.24487   -64.22373
   30    27 S   CT   _CA3    26     1.45449   123.45030   175.13192
   31    30 S   HC   HA31    27     1.09525   109.23122    24.42856
   32    30 S   HC   HA32    28     1.09496   107.11953   141.43061
   33    29 S   CT   _C28    36     1.86438    99.63237   175.72896
   34    33 S   HC   _H11    37     1.09741   104.07630   -41.06532
   35    30 S   CO3  _C3_    29     1.52928   113.13421   -99.04763
   36    35 S   O2Z  _O31    30     1.26404   115.42025   -44.16730
   37    35 S   O2Z  _O32    31     1.26360   114.97563   136.78022
   38    33 S   CT   _C29    38     1.54657   105.67695    74.47840
   39    38 S   HC   _H12    39     1.09703   112.64351    14.03385
   40    38 S   CO4  _C30    40     1.51423   115.06216   134.35576
   41    40 S   O    _O40    41     1.23360   121.32881   140.21215
   42    38 S   OH   _O41   116     1.42523   108.42246  -104.09714
   43    42 S   HO   _H33   117     0.97339   107.42153   178.71351
   44    40 S   CT   _C5_    42     1.51609   118.08640   -44.18617
   45    44 S   HC   _H3_    43     1.09871   105.48721   146.41947
   46    44 S   CT   _C6_    44     1.54962   113.50295    27.48040
   47    46 S   HC   _H4_    45     1.09926   107.39181   -92.93568
   48    44 S   CT   _C4_   112     1.52878   108.57504   -97.66969
   49    48 S   HC   _H13   113     1.09576   111.17030    63.85816
   50    48 S   HC   _H14   114     1.09569   110.85233   -55.32493
   51    48 S   HC   _H15   115     1.09396   111.47892  -175.31324
   52    46 S   CT   _C7_    46     1.54576   109.02438   151.25237
   53    52 S   HC   _H16    47     1.09556   110.81007   -63.17645
   54    52 S   HC   _H17    48     1.09716   108.80403    53.48126
   55    52 S   CT   _C8_    49     1.52293   112.65667   173.49877
   56    55 S   HC   _H5_    50     1.09763   108.00689   178.98934
   57    55 S   CT   _C9_    51     1.52473   113.26256    56.08580
   58    55 S   OS   _O35    63     1.45939   106.56339   -67.87191
   59    57 S   CT   _C10    52     1.53694   116.15458    83.01832
   60    59 S   HC   _H18    53     1.08680   116.16790   -90.50433
   61    59 S   HC   _H19    54     1.09647   111.93400    33.23416
   62    57 S   CT   _C26    94     1.58177   112.15184   -48.72926
   63    62 S   HC   _H10    95     1.09399   103.00200   -65.76797
   64    59 S   OS   _O33    55     1.45244   105.96168   149.45115
   65    33 S   CT   _C27    96     1.58957   115.15486  -157.45452
   66    64 S   CT   _C11    56     1.45382   107.91881   -10.38389
   67    65 S   CT   _C31    97     1.55878   106.52956   161.87109
   68    67 S   HC   _H34    98     1.09122   112.29710   -58.98762
   69    67 S   HC   _H35    99     1.08857   112.82199   177.81314
   70    67 S   HC   _H36   100     1.09211   113.27560    58.69112
   71    57 S   CT   _C12    57     1.53020   106.23325  -170.84897
   72    71 S   HC   _H6_    58     1.10517   108.02336   -57.89186
   73    66 S   CT   _C24    90     1.54595   107.09804    97.99811
   74    73 S   HC   _H8_    91     1.09768   109.25349    66.76592
   75    66 S   CO4  _C32   105     1.52552   107.26403  -141.08442
   76    75 S   O    _O44   106     1.22470   124.11446  -133.85285
   77    71 S   CT   _C13    59     1.51578   114.24822    58.59449
   78    77 S   HC   _H7_    60     1.09221   113.46208    65.38958
   79    73 S   CT   _C25    92     1.54664   111.87817   -53.51488
   80    79 S   HC   _H9_    93     1.09467   108.98398  -161.83226
   81    73 S   OH   _O43   103     1.42413   111.73080  -174.81953
   82    81 S   HO   _H38   104     0.97635   108.15677   -63.36952
   83    75 S   OS   _O45   107     1.36559   110.87184    47.14014
   84    77 S   CO4  _C14    61     1.52218   109.26893   -53.98774
   85    84 S   O    _O34    62     1.22707   123.13937  -144.22477
   86    77 S   OS   _O36    64     1.43659   106.81740  -173.58412
   87    79 S   OH   _O42   101     1.42273   108.24434    82.83705
   88    87 S   HO   _H37   102     0.97248   107.88776    61.03511
   89    83 S   CT   _C33   108     1.43036   115.30578   178.35087
   90    89 S   HC   _H39   109     1.09324   108.09718  -179.68225
   91    89 S   HC   _H40   110     1.09416   110.30181    61.61280
   92    89 S   HC   _H41   111     1.09435   110.28749   -61.03450
   93    86 S   CO4  _C15    65     1.35716   118.26653  -157.59055
   94    93 S   O    _O37    66     1.21916   127.46336    -3.66426
   95    93 S   CM   _C16    67     1.48160   106.97697   174.76951
   96    95 S   HC   _H20    68     1.08540   113.95298   -31.87837
   97    95 S   CM   _C17    69     1.34832   124.86361   149.98426
   98    97 S   CT   _C18    70     1.51332   122.43439    -4.77635
   99    98 S   HC   _H21    71     1.09426   110.36677    95.85502
  100    98 S   HC   _H22    72     1.09361   112.64501   -25.82852
  101    98 S   HC   _H23    73     1.09457   111.32442  -144.12969
  102    97 S   CT   _C19    74     1.54258   122.01424   176.27679
  103   102 S   CT   _C20    75     1.54233   108.80945  -119.32475
  104   103 S   HC   _H24    76     1.09683   110.75884  -179.69868
  105   103 S   HC   _H25    77     1.09604   111.74499   -62.31322
  106   103 S   HC   _H26    78     1.09552   111.72310    59.51886
  107   102 S   CT   _C21    79     1.54327   116.66715     1.38621
  108   107 S   HC   _H27    80     1.09668   110.57510   176.05404
  109   107 S   HC   _H28    81     1.09574   111.69414   -63.53137
  110   107 S   HC   _H29    82     1.09474   112.29190    58.02178
  111   102 S   OS   _O38    83     1.46016   110.60090   125.81784
  112   111 S   CO4  _C22    84     1.36296   120.74859   -62.11476
  113   112 S   O    _O39    85     1.22269   126.86545     0.66264
  114   112 S   CT   _C23    86     1.49872   109.27167  -179.66839
  115   114 S   HC   _H30    87     1.09289   109.80834   -61.74050
  116   114 S   HC   _H31    88     1.09379   109.36869   179.17599
  117   114 S   HC   _H32    89     1.09292   109.84520    60.18358
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  12   6  13   5   3   1  14   8  20   8   5
   2   1   1  12   6   5  17   6  21   8  13   5   4  18   7  11
   9  17   4   2   1   1  14   6  11   6   9   2   7   4   5   3
   2   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3
  15   7   3   2   1  12   9   4   3   2   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    62    65    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    52    57    79    62    63    65    67    68    69    70    42    43  
   38    39    40    46    62    65    67    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    62    65    67    48    42    43  
   40    41    44    65    42    43  
   41    44    45    46    47    52    65    48    49    50    51    42    43  
   44    45    46    48    42  
   43    44    65  
    0  
   45    46    47    52    53    54    55    62    65    67    48    49    50    51  
   46    47    52    65    48    49    50    51  
   47    52    53    54    55    56    57    58    79    62    63    65    67    68    69    70    48    49    50    51  
   52    53    54    55    62    65    67    48  
   49    50    51    52    65  
   50    51  
   51  
    0  
   53    54    55    56    57    59    71    84    58    62    65    67  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    59    60    61    64    66    71    72    77    84    85    58    79    62    63    65  
   57    59    71    84    58    62  
   59    60    61    64    66    71    72    77    78    84    58    86    73    79    80    62    63    65    67    87    75  
   86    62    59    71    77    78    84    85  
   60    61    64    66    71    72    77    73    79    62    63    65    75  
   61    64    66    71    62  
   64    66    71    62  
   63    65    67    68    69    70    87    88    81    64    66    71    72    73    74    77    79    80  
   65    67    87    71    73    79    80  
   66    71    72    77    73    74    79    81    75    76    83  
   67    68    69    70    87    71    73    79    80  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   68    69    70    79  
   69    70  
   70  
    0  
   72    77    78    84    85    86    93    73    74    79    81    75    76    83  
   77    78    84    86    73    75  
   74    79    80    87    88    81    82    75    76    83    77  
   79    80    87    81    82    75  
   76    83    89    90    91    92    77    79    81  
   83    89  
   78    84    85    86    93    94    95  
   84    85    86    93  
   80    87    88    81    82  
   87    88    81  
   82    87  
    0  
   89    90    91    92  
   85    86    93  
   86  
   93    94    95    96    97  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98   102  
   95    96    97  
   96    97    98    99   100   101   102   103   107   111  
   97    98   102  
   98    99   100   101   102   103   104   105   106   107   108   109   110   111   112  
   99   100   101   102   103   107   111  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   106   107   108   109   110   111   112  
  105   106   107   111  
  106   107   111  
  107   111  
  108   109   110   111   112  
  109   110   111  
  110   111  
  111  
  112   113   114   115   116   117  
  113   114   115   116   117  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  116   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  117   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    65   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    52   268.000  1.529
   46    65   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    58   320.000  1.410
   57    59   268.000  1.529
   57    71   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   320.000  1.410
   66    71   268.000  1.529
   66    73   268.000  1.529
   66    75   317.000  1.522
   71    72   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    84   317.000  1.522
   77    86   320.000  1.410
   84    85   570.000  1.229
   84    58   214.000  1.327
   86    93   214.000  1.327
   93    94   570.000  1.229
   93    95   320.000  1.462
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   317.000  1.510
   97   102   317.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   268.000  1.529
  102   107   268.000  1.529
  102   111   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   214.000  1.327
  112   113   570.000  1.229
  112   114   317.000  1.522
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    62   268.000  1.529
   79    87   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   570.000  1.229
   75    83   214.000  1.327
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    65    46    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    67    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    63.00000  111.10000
   40    44    48    63.00000  111.10000
   44    40    41    80.00000  120.40000
   44    46    47    37.50000  110.70000
   44    46    52    58.35000  112.70000
   44    46    65    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    58.35000  112.70000
   46    65    62    58.35000  112.70000
   46    65    67    58.35000  112.70000
   52    46    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    58    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    71    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    58    84    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    64    50.00000  109.50000
   57    71    66    58.35000  112.70000
   57    71    72    37.50000  110.70000
   57    71    77    58.35000  112.70000
   57    62    79    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   59    64    66    60.00000  109.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    71    50.00000  109.50000
   64    66    73    50.00000  109.50000
   64    66    75    90.00000  108.74100
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    79    58.35000  112.70000
   66    73    81    50.00000  109.50000
   66    75    76    80.00000  120.40000
   66    75    83    81.00000  111.40000
   71    57    59    58.35000  112.70000
   71    77    78    37.50000  110.70000
   71    77    84    63.00000  111.10000
   71    77    86    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    84    85    80.00000  120.40000
   77    84    58    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    57    50.00000  109.50000
   58    84    85    83.00000  123.40000
   86    77    78    35.00000  109.50000
   86    77    84    90.00000  108.74100
   86    93    94    83.00000  123.40000
   86    93    95    90.00000  111.29400
   93    95    96    40.00000  117.72500
   93    95    97    65.00000  118.96000
   95    93    94    80.00000  123.72100
   95    97    98    70.00000  124.00000
   95    97   102    70.00000  124.00000
   97    95    96    35.00000  120.00000
   97    98    99    35.00000  109.50000
   97    98   100    35.00000  109.50000
   97    98   101    35.00000  109.50000
   97   102   103    70.00000  112.02700
   97   102   107    70.00000  112.02700
   97   102   111    85.00000  110.90400
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    97    98    65.00000  117.92700
  102   103   104    37.50000  110.70000
  102   103   105    37.50000  110.70000
  102   103   106    37.50000  110.70000
  102   107   108    37.50000  110.70000
  102   107   109    37.50000  110.70000
  102   107   110    37.50000  110.70000
  102   111   112    83.00000  116.90000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   102   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111   102   103    50.00000  109.50000
  111   102   107    50.00000  109.50000
  111   112   113    83.00000  123.40000
  111   112   114    81.00000  111.40000
  112   114   115    35.00000  109.50000
  112   114   116    35.00000  109.50000
  112   114   117    35.00000  109.50000
  114   112   113    80.00000  120.40000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   73    66    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    62    58.35000  112.70000
   73    79    87    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    62    63    37.50000  110.70000
   79    62    65    58.35000  112.70000
   79    87    88    55.00000  108.50000
   62    57    59    58.35000  112.70000
   62    57    71    58.35000  112.70000
   62    79    80    37.50000  110.70000
   62    65    67    58.35000  112.70000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    46    47    37.50000  110.70000
   65    46    52    58.35000  112.70000
   65    62    63    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    62    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    66    71    63.00000  111.10000
   75    66    73    63.00000  111.10000
   75    83    89    83.00000  116.90000
   83    75    76    83.00000  123.40000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
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
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   71    66    75    76   0.30150 -1.0 2.0
   71    66    75    83   0.36750  1.0 3.0
   71    77    84    85   0.30150 -1.0 2.0
   71    77    84    58   0.36750  1.0 3.0
   71    77    86    93  -0.25900  1.0 1.0
   71    77    86    93  -0.47000 -1.0 2.0
   71    77    86    93   0.11750  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    84  -0.11250  1.0 3.0
   72    71    77    86   0.23400  1.0 3.0
   77    84   -58    55   1.63150  1.0 1.0
   77    84   -58    55   2.92000 -1.0 2.0
   77    86    93    94   3.00000 -1.0 2.0
   77    86    93    95   2.00000 -1.0 2.0
   78    77    84    85   0.00000  1.0 1.0
   78    77    84    58   0.00000  1.0 1.0
   78    77    86    93   0.08050  1.0 3.0
   84    77    86    93  -1.80650  1.0 1.0
   84    77    86    93   0.63900 -1.0 2.0
   84    77    86    93   0.03650  1.0 3.0
   85    84    58    55   3.00000 -1.0 2.0
   58    55    57    59   0.62750  1.0 1.0
   58    55    57    59  -0.30950 -1.0 2.0
   58    55    57    59   0.27300  1.0 3.0
   58    55   -57    71   0.62750  1.0 1.0
   58    55   -57    71  -0.30950 -1.0 2.0
   58    55   -57    71   0.27300  1.0 3.0
   58    55    57    62   0.62750  1.0 1.0
   58    55    57    62  -0.30950 -1.0 2.0
   58    55    57    62   0.27300  1.0 3.0
   86    77    84    85   0.30150 -1.0 2.0
   86    77    84    58   0.40000  1.0 3.0
   86    93    95    96   1.63100 -1.0 2.0
   86    93    95    97  -0.56150  1.0 1.0
   86    93    95    97   2.19150 -1.0 2.0
   93    95    97    98   7.00000 -1.0 2.0
   93    95    97   102   7.00000 -1.0 2.0
   94    93    95    96   0.00000  1.0 1.0
   94    93    95    97   1.00000 -1.0 2.0
   95    97    98    99   0.00000  1.0 1.0
   95    97    98   100   0.00000  1.0 1.0
   95    97    98   101   0.00000  1.0 1.0
   95    97   102   103   0.09850  1.0 1.0
   95    97   102   103   0.15250 -1.0 2.0
   95    97   102   103  -0.50650  1.0 3.0
   95    97   102   107   0.09850  1.0 1.0
   95    97   102   107   0.15250 -1.0 2.0
   95    97   102   107  -0.50650  1.0 3.0
   95    97   102   111   0.39000  1.0 1.0
   95    97   102   111  -0.05800 -1.0 2.0
   95    97   102   111  -0.55150  1.0 3.0
   96    95    97    98   7.00000 -1.0 2.0
   96    95    97   102   7.00000 -1.0 2.0
   97   102   103   104   0.15000  1.0 3.0
   97   102   103   105   0.15000  1.0 3.0
   97   102   103   106   0.15000  1.0 3.0
   97   102   107   108   0.15000  1.0 3.0
   97   102   107   109   0.15000  1.0 3.0
   97   102   107   110   0.15000  1.0 3.0
   97   102   111   112  -0.82050  1.0 1.0
   97   102   111   112   0.00600 -1.0 2.0
   97   102   111   112   0.04400  1.0 3.0
   98    97   102   103   0.46850  1.0 1.0
   98    97   102   103   0.08550 -1.0 2.0
   98    97   102   103   0.09800  1.0 3.0
   98    97   102   107   0.46850  1.0 1.0
   98    97   102   107   0.08550 -1.0 2.0
   98    97   102   107   0.09800  1.0 3.0
   98    97   102   111   0.09700  1.0 1.0
   98    97   102   111   0.15600 -1.0 2.0
   98    97   102   111  -0.50800  1.0 3.0
  102    97    98    99   0.34800  1.0 3.0
  102    97    98   100   0.34800  1.0 3.0
  102    97    98   101   0.34800  1.0 3.0
  102   111   112   113   3.00000 -1.0 2.0
  102   111   112   114   1.63150  1.0 1.0
  102   111   112   114   2.92000 -1.0 2.0
  103   102   107   108   0.15000  1.0 3.0
  103   102   107   109   0.15000  1.0 3.0
  103   102   107   110   0.15000  1.0 3.0
  103   102   111   112  -0.25900  1.0 1.0
  103   102   111   112  -0.47000 -1.0 2.0
  103   102   111   112   0.11750  1.0 3.0
  107   102   103   104   0.15000  1.0 3.0
  107   102   103   105   0.15000  1.0 3.0
  107   102   103   106   0.15000  1.0 3.0
  107   102   111   112  -0.25900  1.0 1.0
  107   102   111   112  -0.47000 -1.0 2.0
  107   102   111   112   0.11750  1.0 3.0
  111   102   103   104   0.23400  1.0 3.0
  111   102   103   105   0.23400  1.0 3.0
  111   102   103   106   0.23400  1.0 3.0
  111   102   107   108   0.23400  1.0 3.0
  111   102   107   109   0.23400  1.0 3.0
  111   102   107   110   0.23400  1.0 3.0
  111   112   114   115   0.00000  1.0 1.0
  111   112   114   116   0.00000  1.0 1.0
  111   112   114   117   0.00000  1.0 1.0
  113   112   114   115   0.00000  1.0 1.0
  113   112   114   116   0.00000  1.0 1.0
  113   112   114   117   0.00000  1.0 1.0
   73    66    71    57   0.56750  1.0 1.0
   73    66    71    57  -0.07550 -1.0 2.0
   73    66    71    57   0.20000  1.0 3.0
   73    66    71    72   0.15000  1.0 3.0
   73    66    71    77   0.56750  1.0 1.0
   73    66    71    77  -0.07550 -1.0 2.0
   73    66    71    77   0.20000  1.0 3.0
   73    66    75    76   0.30150 -1.0 2.0
   73    66    75    83   0.36750  1.0 3.0
   73    79   -62    57   0.56750  1.0 1.0
   73    79   -62    57  -0.07550 -1.0 2.0
   73    79   -62    57   0.20000  1.0 3.0
   73    79    62    63   0.15000  1.0 3.0
   73    79    62    65   0.56750  1.0 1.0
   73    79    62    65  -0.07550 -1.0 2.0
   73    79    62    65   0.20000  1.0 3.0
   73    79    87    88  -0.11600  1.0 1.0
   73    79    87    88  -0.09450 -1.0 2.0
   73    79    87    88   0.21250  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    62   0.15000  1.0 3.0
   74    73    79    87   0.23400  1.0 3.0
   74    73    81    82   0.19450  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   79    62    65    33   0.56750  1.0 1.0
   79    62    65    33  -0.07550 -1.0 2.0
   79    62    65    33   0.20000  1.0 3.0
   79    62    65    46   0.56750  1.0 1.0
   79    62    65    46  -0.07550 -1.0 2.0
   79    62    65    46   0.20000  1.0 3.0
   79    62    65    67   0.56750  1.0 1.0
   79    62    65    67  -0.07550 -1.0 2.0
   79    62    65    67   0.20000  1.0 3.0
   80    79    62    57   0.15000  1.0 3.0
   80    79    62    63   0.15000  1.0 3.0
   80    79    62    65   0.15000  1.0 3.0
   80    79    87    88   0.19450  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    64   0.62750  1.0 1.0
   62    57    59    64  -0.30950 -1.0 2.0
   62    57    59    64   0.27300  1.0 3.0
   62    57   -71    66   0.56750  1.0 1.0
   62    57   -71    66  -0.07550 -1.0 2.0
   62    57   -71    66   0.20000  1.0 3.0
   62    57    71    72   0.15000  1.0 3.0
   62    57    71    77   0.56750  1.0 1.0
   62    57    71    77  -0.07550 -1.0 2.0
   62    57    71    77   0.20000  1.0 3.0
   62    79    87    88  -0.11600  1.0 1.0
   62    79    87    88  -0.09450 -1.0 2.0
   62    79    87    88   0.21250  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    70   0.15000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    46   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   65    33    38    39   0.15000  1.0 3.0
   65    33   -38    40  -0.95700  1.0 1.0
   65    33   -38    40  -0.18200 -1.0 2.0
   65    33   -38    40   0.29450  1.0 3.0
   65    33    38    42   0.86500  1.0 1.0
   65    33    38    42  -0.17500 -1.0 2.0
   65    33    38    42   0.20800  1.0 3.0
   65    46    52    53   0.15000  1.0 3.0
   65    46    52    54   0.15000  1.0 3.0
   65    46   -52    55   0.56750  1.0 1.0
   65    46   -52    55  -0.07550 -1.0 2.0
   65    46   -52    55   0.20000  1.0 3.0
   87    79    62    57   0.86500  1.0 1.0
   87    79    62    57  -0.17500 -1.0 2.0
   87    79    62    57   0.20800  1.0 3.0
   87    79    62    63   0.23400  1.0 3.0
   87    79    62    65   0.86500  1.0 1.0
   87    79    62    65  -0.17500 -1.0 2.0
   87    79    62    65   0.20800  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    62   0.86500  1.0 1.0
   81    73    79    62  -0.17500 -1.0 2.0
   81    73    79    62   0.20800  1.0 3.0
   81    73    79    87   3.75450  1.0 1.0
   75    66    71    57  -0.95700  1.0 1.0
   75    66    71    57  -0.18200 -1.0 2.0
   75    66    71    57   0.29450  1.0 3.0
   75    66    71    72  -0.11250  1.0 3.0
   75    66    71    77  -0.95700  1.0 1.0
   75    66    71    77  -0.18200 -1.0 2.0
   75    66    71    77   0.29450  1.0 3.0
   75    66    73    74  -0.11250  1.0 3.0
   75    66    73    79  -0.95700  1.0 1.0
   75    66    73    79  -0.18200 -1.0 2.0
   75    66    73    79   0.29450  1.0 3.0
   75    66    73    81  -0.09450  1.0 1.0
   75    66    73    81  -1.12950 -1.0 2.0
   75    66    73    81   0.54000  1.0 3.0
   75    83    89    90   0.08050  1.0 3.0
   75    83    89    91   0.08050  1.0 3.0
   75    83    89    92   0.08050  1.0 3.0
   76    75    83    89   3.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    52   0.56750  1.0 1.0
   48    44    46    52  -0.07550 -1.0 2.0
   48    44    46    52   0.20000  1.0 3.0
   48    44    46    65   0.56750  1.0 1.0
   48    44    46    65  -0.07550 -1.0 2.0
   48    44    46    65   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.55300  1.0 1.0
   42    38    40    44   1.25850 -1.0 2.0
   42    38    40    44  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   77    58    84    85  10.50000 -1.0 2.0
   86    95    93    94  10.50000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   98   102    97    95  15.00000 -1.0 2.0
  111   114   112   113  10.50000 -1.0 2.0
   66    83    75    76  10.50000 -1.0 2.0
END
