* LIGAND DATABASE FILE (OPLS2005)
*
001     116   121    234    390     714
    1     0 S   NP   _N1_     1    30.51562   101.33854   -18.02520
    2     1 S   H    _HN1     2     1.02776    50.27982   -72.66029
    3     1 S   H    _H1_     3     1.02956    79.41741    52.20805
    4     1 S   H    _H2_     4     1.02828    78.60037   162.22077
    5     1 S   CT   _CA1     5     1.50135   162.50113   -73.64268
    6     5 S   HC   _HA1     6     1.09568   105.23281   -60.59383
    7     5 S   CO3  _C1_     7     1.53829   112.30627   179.15744
    8     7 S   O2Z  _O11     8     1.26372   115.01617   -43.12395
    9     7 S   O2Z  _O12     9     1.26221   114.96866   135.92492
   10     5 S   CT   _CB1    10     1.53081   107.39696    57.40499
   11    10 S   HC   HB11    11     1.09816   109.46363   -48.92409
   12    10 S   HC   HB12    12     1.09827   110.39253    67.70101
   13    10 S   CT   _CG1    13     1.52975   112.61811  -170.00383
   14    13 S   HC   HG11    14     1.09497   110.37146   -60.05639
   15    13 S   HC   HG12    15     1.09640   110.12317    58.89466
   16    13 S   C    _CD1    16     1.51847   112.10442   178.80581
   17    16 S   O    _OE1    17     1.22753   123.11208   -14.56060
   18    16 S   N    _N2_    18     1.38533   111.77287   166.62317
   19    18 S   H    _HN2    19     1.01593   119.05397    -0.19979
   20    18 S   CT1  _CA2    20     1.46322   123.58335   179.24905
   21    20 S   HC   _HA2    21     1.09751   109.36107    -9.46934
   22    20 S   C    _C2_    22     1.53499   108.32011  -124.75474
   23    22 S   O    _O2_    23     1.23029   122.51177  -149.22856
   24    20 S   CT   _CB2    32     1.53794   111.32644   112.78976
   25    24 S   HC   HB21    33     1.09036   108.29367    53.88861
   26    24 S   HC   HB22    34     1.09402   109.35157   172.75270
   27    22 S   N    _N3_    24     1.38430   113.49622    38.52476
   28    27 S   H    _HN3    25     1.01635   119.45055    -3.86868
   29    24 S   S    _SG2    35     1.82529   110.31437   -68.85727
   30    27 S   CT   _CA3    26     1.45270   123.06089   176.85079
   31    30 S   HC   HA31    27     1.09554   107.56462   -62.88146
   32    30 S   HC   HA32    28     1.09561   107.88906    53.49560
   33    29 S   CT   _C29    36     1.91180   107.23326   163.10962
   34    30 S   CO3  _C3_    29     1.52910   114.20593   175.48278
   35    34 S   O2Z  _O31    30     1.26355   116.09530     0.21306
   36    34 S   O2Z  _O32    31     1.26438   114.39665  -179.75292
   37    33 S   CT   _C17    37     1.60725   105.93855   164.33063
   38    37 S   HC   _H60    38     1.09962   104.98407   176.23927
   39    33 S   CT   _C18    88     1.59469   115.03442    47.58719
   40    39 S   OM   _O30    89     1.32100   113.06620   -61.23729
   41    39 S   HC   _H61    90     1.10073   104.67919   172.35301
   42    37 S   CT   _C14    39     1.54368   112.10892    64.08042
   43    42 S   HC   _H56    40     1.09510   110.54432   178.44921
   44    42 S   HC   _H57    41     1.09420   112.60647   -65.17796
   45    37 S   CT   _C26    71     1.59440   116.93053   -71.11148
   46    42 S   CT   _C20    42     1.53204   111.22873    59.61317
   47    46 S   HC   _H63    43     1.09593   107.48365    64.02867
   48    45 S   CT   _C10    72     1.56549   110.08496  -166.13464
   49    48 S   HC   _H48    73     1.09797   109.41355    48.43345
   50    48 S   HC   _H49    74     1.09573   110.63728   -68.63734
   51    45 S   CT   _C31   113     1.54796   113.24870    74.05193
   52    51 S   HC   _H72   114     1.09042   112.92173   -75.68201
   53    51 S   HC   _H73   115     1.09340   112.70437   166.21774
   54    51 S   HC   _H74   116     1.09424   111.54466    47.18866
   55    46 S   CT   _C27    44     1.56149   113.92672   -58.42779
   56    46 S   OH   _O36    69     1.42911   108.99266   178.17823
   57    56 S   HO   _H78    70     0.97226   107.73439   -55.85155
   58    48 S   CT   _C9_    75     1.53421   114.25811   169.76007
   59    58 S   HC   _H46    76     1.09659   110.47968    73.70196
   60    58 S   HC   _H47    77     1.09792   109.12133  -172.18433
   61    55 S   CT   _C15    45     1.58219   108.79854   162.59283
   62    61 S   HC   _H58    46     1.09898   109.54036    35.57389
   63    55 S   CT   _C32    65     1.54307   109.48641   -77.12783
   64    63 S   HC   _H75    66     1.09129   112.77748    48.94757
   65    63 S   HC   _H76    67     1.09518   110.96400   -68.77452
   66    63 S   HC   _H77    68     1.09373   112.20856   170.81081
   67    58 S   CT   _C19    78     1.53058   113.73550   -50.37824
   68    67 S   HC   _H62    79     1.09795   107.92861   -71.55077
   69    61 S   CM   _C5_    47     1.51624   118.28609   156.66862
   70    61 S   CT   _C8_    56     1.53942   103.32635   -78.48586
   71    70 S   HC   _H44    57     1.09518   114.08976  -147.81472
   72    70 S   HC   _H45    58     1.09776   109.52698    94.37938
   73    67 S   CT   _C13    80     1.53456   111.72545    48.91261
   74    73 S   HC   _H54    81     1.09635   109.26479  -174.15340
   75    73 S   HC   _H55    82     1.09626   110.66969    70.49043
   76    67 S   OS   _O41    91     1.43076   107.16769   170.14477
   77    69 S   CM   _C4_    48     1.33368   129.18094    92.51076
   78    77 S   HC   _H41    49     1.07621   128.69539    -2.83531
   79    70 S   CT   _C11    59     1.53165   107.37819   -23.72717
   80    79 S   HC   _H50    60     1.09299   107.58272   122.29234
   81    79 S   HC   _H51    61     1.09637   109.44654  -121.69412
   82    45 S   CT   _C16    83     1.55786   107.92279   -50.75029
   83    82 S   HC   _H59    84     1.10198   107.09155   -62.06613
   84    76 S   CO   _C25    92     1.43450   114.07378   155.09434
   85    84 S   HC   _H68    93     1.09574   109.06983    49.36421
   86    77 S   CO4  _C6_    50     1.46187   107.49016   176.63373
   87    86 S   O    _O33    51     1.21871   125.05800   179.17291
   88    33 S   CT   _C28    62     1.60650   109.15557   -79.73490
   89    82 S   CT   _C12    85     1.53636   113.11995    53.82911
   90    89 S   HC   _H52    86     1.09655   111.07589    63.33356
   91    89 S   HC   _H53    87     1.10056   108.12594   178.97837
   92    84 S   CT   _C23    94     1.53631   107.20971   168.93030
   93    92 S   HC   _H66    95     1.09747   108.78010    53.52818
   94    86 S   OS   _O34    52     1.36092   108.99455    -1.49384
   95    88 S   OH   _O40    63     1.43456   109.19567    57.51916
   96    95 S   HO   _H82    64     0.97567   106.56668    51.26901
   97    92 S   CT   _C21    96     1.53265   111.73061   174.00374
   98    97 S   HC   _H64    97     1.09564   110.12943  -172.04776
   99    92 S   OH   _O39   111     1.42633   109.64560   -63.64175
  100    99 S   HO   _H81   112     0.97234   107.65467  -176.79918
  101    69 S   CT   _C7_    53     1.48558   120.87563   -92.47038
  102   101 S   HC   _H42    54     1.09410   112.05237   -58.79340
  103   101 S   HC   _H43    55     1.09088   113.25246    65.93583
  104    97 S   CT   _C22    98     1.53271   110.16752   -50.33503
  105   104 S   HC   _H65    99     1.09762   108.21133   -68.59385
  106    97 S   OH   _O37   109     1.43075   110.62509    72.11517
  107   106 S   HO   _H79   110     0.97055   109.31416   -59.68862
  108   104 S   CT   _C24   100     1.53451   110.99362    50.95069
  109   108 S   HC   _H67   101     1.09712   111.08367    65.18180
  110   104 S   OH   _O38   107     1.42284   110.50467   173.42290
  111   110 S   HO   _H80   108     0.97246   107.73739    51.68073
  112    84 S   OS   _O35   102     1.43104   110.17847   -71.46240
  113   108 S   CT   _C30   103     1.52587   111.61884  -174.99179
  114   113 S   HC   _H69   104     1.09565   110.95064    59.76684
  115   113 S   HC   _H70   105     1.09395   111.70415   -61.76099
  116   113 S   HC   _H71   106     1.09560   110.26128   177.61460
  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  13   5   4   3
  26   2   1   1  27  10  14   6   5  14   6   5  21  15   6  16
   7   6   8   3   2   1  20   4   1  10   5   4  21   9   8   3
   2   1  12   6  13   9   5   4   9   5   4   9   7   4   5   3
   2   4   3  13   6   5   2   3   2   1   1  12   7   3   1   1
  13   7   4   1   2   1   1  12   7   3   1   8   6   3   1   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    88    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    79    88    95    45    89    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    55    61    70    79    80    81    88    95    96    63    45    48    82    89    90    91    39    40    41    51  
   35    36  
   36  
    0  
   38    42    43    44    46    47    55    79    88    95    56    45    48    49    50    58    73    82    83    89    39    40    41    51    52    53    54  
   42    43    44    46    88    45    48    82    39    51  
   40    41    42    45    55    73    79    82    83    88    89    90    91    95  
   41    82    88    89    90    91  
   82    88    89    90    91  
   43    44    46    47    55    61    88    63    56    57    45    48    82    51  
   44    46    47    55    56    45  
   46    47    55    56    45  
   48    49    50    58    59    60    67    73    74    75    82    83    89    90    91    51    52    53    54    46    88  
   47    55    61    62    69    70    79    88    95    63    64    65    66    56    57  
   55    61    88    63    56    57  
   49    50    58    59    60    67    68    73    82    83    89    76    51    52    53    54  
   50    58    59    60    67    82    51  
   58    59    60    67    82    51  
   52    53    54    58    73    82    83    89  
   53    54    82  
   54    82  
   82  
   61    62    69    77   101    70    71    72    79    80    81    88    95    96    63    64    65    66    56    57  
   57    61    63    88  
    0  
   59    60    67    68    73    74    75    82    76    84  
   60    67    68    73    76  
   67    68    73    76  
   62    69    77    78    86    94   101   102   103    70    71    72    79    80    81    88    95    63    64    65    66  
   69    77   101    70    71    72    79    88    63  
   64    65    66    69    70    79    88    95  
   65    66    88  
   66    88  
   88  
   68    73    74    75    82    83    89    76    84    85    92   112  
   73    74    75    82    76    84  
   77    78    86    87    94   101   102   103    70    71    72    79    88  
   71    72    79    80    81    88    95    77   101  
   72    79    80    81    88  
   79    80    81    88  
   74    75    82    83    89    90    91    76    84  
   75    82    83    89    76  
   82    83    89    76  
   84    85    92    93    97   108   112    99    82  
   78    86    87    94   101   102   103  
   86    87    94   101  
   80    81    88    95    96  
   81    88    95  
   88    95  
   83    89    90    91  
   89    90    91  
   85    92    93    97    98   104   108   109   112   113   106    99   100  
   92    93    97   108   112    99  
   87    94   101   102   103  
   94   101  
   95    96    89  
   90    91  
   91  
    0  
   93    97    98   104   105   108   112   110   106   107    99   100  
   97    98   104   112   106    99   100  
  101   102   103  
   96  
    0  
   98   104   105   108   109   112   113   110   111   106   107    99   100  
  104   105   108   110   106   107    99  
  100   104   106   112  
    0  
  102   103  
  103  
    0  
  105   108   109   112   113   114   115   116   110   111   106   107  
  108   109   112   113   110   111   106  
  107   108   110  
    0  
  109   112   113   114   115   116   110   111  
  112   113   114   115   116   110  
  111   112   113  
    0  
  113   114   115   116  
  114   115   116  
  115   116  
  116  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.205000   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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  112   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  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
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    88   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    55   268.000  1.529
   46    56   320.000  1.410
   55    61   268.000  1.529
   55    88   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    69   317.000  1.510
   61    70   268.000  1.529
   69    77   549.000  1.340
   69   101   317.000  1.510
   77    78   340.000  1.080
   77    86   320.000  1.462
   86    87   570.000  1.229
   86    94   214.000  1.327
   94   101   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    88   268.000  1.529
   88    95   320.000  1.410
   95    96   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    57   553.000  0.945
   45    48   268.000  1.529
   45    82   268.000  1.529
   45    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   76    84   320.000  1.380
   84    85   340.000  1.090
   84    92   250.000  1.527
   84   112   320.000  1.380
   92    93   340.000  1.090
   92    97   268.000  1.529
   92    99   320.000  1.410
   97    98   340.000  1.090
   97   104   268.000  1.529
   97   106   320.000  1.410
  104   105   340.000  1.090
  104   108   268.000  1.529
  104   110   320.000  1.410
  108   109   340.000  1.090
  108   112   320.000  1.410
  108   113   268.000  1.529
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  110   111   553.000  0.945
  106   107   553.000  0.945
   99   100   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    88    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    88    55    58.35000  112.70000
   33    88    79    58.35000  112.70000
   33    88    95    50.00000  109.50000
   33    39    89    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    45    48    58.35000  112.70000
   37    45    82    58.35000  112.70000
   37    45    51    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    55    58.35000  112.70000
   42    46    56    50.00000  109.50000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    55    61    58.35000  112.70000
   46    55    88    58.35000  112.70000
   46    55    63    58.35000  112.70000
   46    56    57    55.00000  108.50000
   55    46    47    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    69    70.00000  112.02700
   55    61    70    58.35000  112.70000
   55    88    79    58.35000  112.70000
   55    88    95    50.00000  109.50000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   61    69    77    70.00000  124.00000
   61    69   101    65.00000  117.92700
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    79    58.35000  112.70000
   69    61    62    35.00000  109.50000
   69    77    78    35.00000  120.00000
   69    77    86    65.00000  118.96000
   69   101    94    85.00000  110.90400
   69   101   102    35.00000  109.50000
   69   101   103    35.00000  109.50000
   77    86    87    80.00000  123.72100
   77    86    94    90.00000  111.29400
   86    77    78    40.00000  117.72500
   86    94   101    83.00000  116.90000
   94    86    87    83.00000  123.40000
   94   101   102    35.00000  109.50000
   94   101   103    35.00000  109.50000
  101    69    77    70.00000  124.00000
  103   101   102    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    69    70.00000  112.02700
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    88    58.35000  112.70000
   72    70    71    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    72    37.50000  110.70000
   79    88    95    50.00000  109.50000
   81    79    80    33.00000  107.80000
   88    33    37    58.35000  112.70000
   88    55    61    58.35000  112.70000
   88    79    80    37.50000  110.70000
   88    79    81    37.50000  110.70000
   88    95    96    55.00000  108.50000
   63    55    61    58.35000  112.70000
   63    55    88    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    46    47    35.00000  109.50000
   56    46    55    50.00000  109.50000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    58    58.35000  112.70000
   45    82    73    58.35000  112.70000
   45    82    83    37.50000  110.70000
   45    82    89    58.35000  112.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    67    58.35000  112.70000
   50    48    49    33.00000  107.80000
   58    48    49    37.50000  110.70000
   58    48    50    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    73    58.35000  112.70000
   58    67    76    50.00000  109.50000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    82    58.35000  112.70000
   67    76    84    60.00000  109.50000
   73    67    68    37.50000  110.70000
   73    82    83    37.50000  110.70000
   73    82    89    58.35000  112.70000
   75    73    74    33.00000  107.80000
   82    45    48    58.35000  112.70000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    39    58.35000  112.70000
   89    82    83    37.50000  110.70000
   89    39    40    50.00000  109.50000
   89    39    41    37.50000  110.70000
   91    89    90    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    88    58.35000  112.70000
   39    89    90    37.50000  110.70000
   39    89    91    37.50000  110.70000
   41    39    40    45.00000  125.66300
   76    67    68    35.00000  109.50000
   76    67    73    50.00000  109.50000
   76    84    85    35.00000  109.50000
   76    84    92    90.00000  108.56700
   76    84   112    92.60000  111.55000
   84    92    93    45.00000  108.72000
   84    92    97    75.00000  109.43000
   84    92    99    90.00000  111.58700
   84   112   108    60.00000  109.50000
   92    84    85    45.00000  112.01100
   92    97    98    37.50000  110.70000
   92    97   104    58.35000  112.70000
   92    97   106    50.00000  109.50000
   92    99   100    55.00000  108.50000
   97    92    93    37.50000  110.70000
   97   104   105    37.50000  110.70000
   97   104   108    58.35000  112.70000
   97   104   110    50.00000  109.50000
   97   106   107    55.00000  108.50000
  104    97    98    37.50000  110.70000
  104   108   109    37.50000  110.70000
  104   108   112    50.00000  109.50000
  104   108   113    58.35000  112.70000
  104   110   111    55.00000  108.50000
  108   104   105    37.50000  110.70000
  108   113   114    37.50000  110.70000
  108   113   115    37.50000  110.70000
  108   113   116    37.50000  110.70000
  112    84    85    35.00000  109.50000
  112    84    92    90.00000  108.56700
  112   108   109    35.00000  109.50000
  113   108   109    37.50000  110.70000
  113   108   112    50.00000  109.50000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  110   104   105    35.00000  109.50000
  110   104   108    50.00000  109.50000
  106    97    98    35.00000  109.50000
  106    97   104    50.00000  109.50000
   99    92    93    35.00000  109.50000
   99    92    97    50.00000  109.50000
   51    45    48    58.35000  112.70000
   51    45    82    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  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    88   0.01700  1.0 1.0
   24    29    33    88  -0.23550 -1.0 2.0
   24    29    33    88   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    88    55   0.44750  1.0 1.0
   29    33    88    55  -0.17800 -1.0 2.0
   29    33    88    55   0.20200  1.0 3.0
   29    33    88    79   0.44750  1.0 1.0
   29    33    88    79  -0.17800 -1.0 2.0
   29    33    88    79   0.20200  1.0 3.0
   29    33    88    95   0.56750  1.0 1.0
   29    33    88    95  -0.07550 -1.0 2.0
   29    33    88    95   0.20000  1.0 3.0
   29    33    39    89   0.44750  1.0 1.0
   29    33    39    89  -0.17800 -1.0 2.0
   29    33    39    89   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37    45    48   0.56750  1.0 1.0
   33    37    45    48  -0.07550 -1.0 2.0
   33    37    45    48   0.20000  1.0 3.0
   33    37    45    82   0.56750  1.0 1.0
   33    37    45    82  -0.07550 -1.0 2.0
   33    37    45    82   0.20000  1.0 3.0
   33    37    45    51   0.56750  1.0 1.0
   33    37    45    51  -0.07550 -1.0 2.0
   33    37    45    51   0.20000  1.0 3.0
   33    88    95    96  -0.11600  1.0 1.0
   33    88    95    96  -0.09450 -1.0 2.0
   33    88    95    96   0.21250  1.0 3.0
   37    33    88    55   0.56750  1.0 1.0
   37    33    88    55  -0.07550 -1.0 2.0
   37    33    88    55   0.20000  1.0 3.0
   37    33    88    79   0.56750  1.0 1.0
   37    33    88    79  -0.07550 -1.0 2.0
   37    33    88    79   0.20000  1.0 3.0
   37    33    88    95   0.86500  1.0 1.0
   37    33    88    95  -0.17500 -1.0 2.0
   37    33    88    95   0.20800  1.0 3.0
   37    33    39    89   0.56750  1.0 1.0
   37    33    39    89  -0.07550 -1.0 2.0
   37    33    39    89   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42   -46    55   0.56750  1.0 1.0
   37    42   -46    55  -0.07550 -1.0 2.0
   37    42   -46    55   0.20000  1.0 3.0
   37    42    46    56   0.86500  1.0 1.0
   37    42    46    56  -0.17500 -1.0 2.0
   37    42    46    56   0.20800  1.0 3.0
   37    45    48    49   0.15000  1.0 3.0
   37    45    48    50   0.15000  1.0 3.0
   37    45    48    58   0.56750  1.0 1.0
   37    45    48    58  -0.07550 -1.0 2.0
   37    45    48    58   0.20000  1.0 3.0
   37    45    82    73   0.56750  1.0 1.0
   37    45    82    73  -0.07550 -1.0 2.0
   37    45    82    73   0.20000  1.0 3.0
   37    45    82    83   0.15000  1.0 3.0
   37    45   -82    89   0.56750  1.0 1.0
   37    45   -82    89  -0.07550 -1.0 2.0
   37    45   -82    89   0.20000  1.0 3.0
   37    45    51    52   0.15000  1.0 3.0
   37    45    51    53   0.15000  1.0 3.0
   37    45    51    54   0.15000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   38    37    45    82   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   42    37    45    48   0.56750  1.0 1.0
   42    37    45    48  -0.07550 -1.0 2.0
   42    37    45    48   0.20000  1.0 3.0
   42    37    45    82   0.56750  1.0 1.0
   42    37    45    82  -0.07550 -1.0 2.0
   42    37    45    82   0.20000  1.0 3.0
   42    37    45    51   0.56750  1.0 1.0
   42    37    45    51  -0.07550 -1.0 2.0
   42    37    45    51   0.20000  1.0 3.0
   42    46    55    61   0.56750  1.0 1.0
   42    46    55    61  -0.07550 -1.0 2.0
   42    46    55    61   0.20000  1.0 3.0
   42    46    55    88   0.56750  1.0 1.0
   42    46    55    88  -0.07550 -1.0 2.0
   42    46    55    88   0.20000  1.0 3.0
   42    46    55    63   0.56750  1.0 1.0
   42    46    55    63  -0.07550 -1.0 2.0
   42    46    55    63   0.20000  1.0 3.0
   42    46    56    57  -0.11600  1.0 1.0
   42    46    56    57  -0.09450 -1.0 2.0
   42    46    56    57   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    55   0.15000  1.0 3.0
   43    42    46    56   0.23400  1.0 3.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    55   0.15000  1.0 3.0
   44    42    46    56   0.23400  1.0 3.0
   46    55    61    62   0.15000  1.0 3.0
   46    55    61    69   0.34400  1.0 1.0
   46    55    61    69   0.09450 -1.0 2.0
   46    55    61    69   0.11100  1.0 3.0
   46    55    61    70   0.56750  1.0 1.0
   46    55    61    70  -0.07550 -1.0 2.0
   46    55    61    70   0.20000  1.0 3.0
   46    55   -88    33   0.56750  1.0 1.0
   46    55   -88    33  -0.07550 -1.0 2.0
   46    55   -88    33   0.20000  1.0 3.0
   46    55    88    79   0.56750  1.0 1.0
   46    55    88    79  -0.07550 -1.0 2.0
   46    55    88    79   0.20000  1.0 3.0
   46    55    88    95   0.86500  1.0 1.0
   46    55    88    95  -0.17500 -1.0 2.0
   46    55    88    95   0.20800  1.0 3.0
   46    55    63    64   0.15000  1.0 3.0
   46    55    63    65   0.15000  1.0 3.0
   46    55    63    66   0.15000  1.0 3.0
   47    46    55    61   0.15000  1.0 3.0
   47    46    55    88   0.15000  1.0 3.0
   47    46    55    63   0.15000  1.0 3.0
   47    46    56    57   0.19450  1.0 3.0
   55    46    56    57  -0.11600  1.0 1.0
   55    46    56    57  -0.09450 -1.0 2.0
   55    46    56    57   0.21250  1.0 3.0
   55    61    69    77   0.09850  1.0 1.0
   55    61    69    77   0.15250 -1.0 2.0
   55    61    69    77  -0.50650  1.0 3.0
   55    61    69   101   0.46850  1.0 1.0
   55    61    69   101   0.08550 -1.0 2.0
   55    61    69   101   0.09800  1.0 3.0
   55    61    70    71   0.15000  1.0 3.0
   55    61    70    72   0.15000  1.0 3.0
   55    61   -70    79   0.56750  1.0 1.0
   55    61   -70    79  -0.07550 -1.0 2.0
   55    61   -70    79   0.20000  1.0 3.0
   55    88    95    96  -0.11600  1.0 1.0
   55    88    95    96  -0.09450 -1.0 2.0
   55    88    95    96   0.21250  1.0 3.0
   61    55    88    33   0.56750  1.0 1.0
   61    55    88    33  -0.07550 -1.0 2.0
   61    55    88    33   0.20000  1.0 3.0
   61    55   -88    79   0.56750  1.0 1.0
   61    55   -88    79  -0.07550 -1.0 2.0
   61    55   -88    79   0.20000  1.0 3.0
   61    55    88    95   0.86500  1.0 1.0
   61    55    88    95  -0.17500 -1.0 2.0
   61    55    88    95   0.20800  1.0 3.0
   61    55    63    64   0.15000  1.0 3.0
   61    55    63    65   0.15000  1.0 3.0
   61    55    63    66   0.15000  1.0 3.0
   61    69    77    78   7.00000 -1.0 2.0
   61    69    77    86   7.00000 -1.0 2.0
   61    69   101    94   0.09700  1.0 1.0
   61    69   101    94   0.15600 -1.0 2.0
   61    69   101    94  -0.50800  1.0 3.0
   61    69   101   102   0.34800  1.0 3.0
   61    69   101   103   0.34800  1.0 3.0
   61    70    79    80   0.15000  1.0 3.0
   61    70    79    81   0.15000  1.0 3.0
   61    70   -79    88   0.56750  1.0 1.0
   61    70   -79    88  -0.07550 -1.0 2.0
   61    70   -79    88   0.20000  1.0 3.0
   62    61    69    77   0.00000  1.0 1.0
   62    61    69   101   0.34800  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    72   0.15000  1.0 3.0
   62    61    70    79   0.15000  1.0 3.0
   69    61    70    71   0.15000  1.0 3.0
   69    61    70    72   0.15000  1.0 3.0
   69    61    70    79   0.34400  1.0 1.0
   69    61    70    79   0.09450 -1.0 2.0
   69    61    70    79   0.11100  1.0 3.0
   69    77    86    87   1.00000 -1.0 2.0
   69    77   -86    94  -0.56150  1.0 1.0
   69    77   -86    94   2.19150 -1.0 2.0
   77    69  -101    94   0.39000  1.0 1.0
   77    69  -101    94  -0.05800 -1.0 2.0
   77    69  -101    94  -0.55150  1.0 3.0
   77    69   101   102   0.00000  1.0 1.0
   77    69   101   103   0.00000  1.0 1.0
   77    86   -94   101   2.00000 -1.0 2.0
   78    77    86    87   0.00000  1.0 1.0
   78    77    86    94   1.63100 -1.0 2.0
   86    94  -101    69  -0.82050  1.0 1.0
   86    94  -101    69   0.00600 -1.0 2.0
   86    94  -101    69   0.04400  1.0 3.0
   86    94   101   102   0.08050  1.0 3.0
   86    94   101   103   0.08050  1.0 3.0
   87    86    94   101   3.00000 -1.0 2.0
  101    69    77    78   7.00000 -1.0 2.0
  101    69   -77    86   7.00000 -1.0 2.0
   70    61    69    77   0.09850  1.0 1.0
   70    61    69    77   0.15250 -1.0 2.0
   70    61    69    77  -0.50650  1.0 3.0
   70    61    69   101   0.46850  1.0 1.0
   70    61    69   101   0.08550 -1.0 2.0
   70    61    69   101   0.09800  1.0 3.0
   70    79    88    33   0.56750  1.0 1.0
   70    79    88    33  -0.07550 -1.0 2.0
   70    79    88    33   0.20000  1.0 3.0
   70    79   -88    55   0.56750  1.0 1.0
   70    79   -88    55  -0.07550 -1.0 2.0
   70    79   -88    55   0.20000  1.0 3.0
   70    79    88    95   0.86500  1.0 1.0
   70    79    88    95  -0.17500 -1.0 2.0
   70    79    88    95   0.20800  1.0 3.0
   71    70    79    80   0.15000  1.0 3.0
   71    70    79    81   0.15000  1.0 3.0
   71    70    79    88   0.15000  1.0 3.0
   72    70    79    80   0.15000  1.0 3.0
   72    70    79    81   0.15000  1.0 3.0
   72    70    79    88   0.15000  1.0 3.0
   79    88    95    96  -0.11600  1.0 1.0
   79    88    95    96  -0.09450 -1.0 2.0
   79    88    95    96   0.21250  1.0 3.0
   80    79    88    33   0.15000  1.0 3.0
   80    79    88    55   0.15000  1.0 3.0
   80    79    88    95   0.23400  1.0 3.0
   81    79    88    33   0.15000  1.0 3.0
   81    79    88    55   0.15000  1.0 3.0
   81    79    88    95   0.23400  1.0 3.0
   88    33    37    38   0.15000  1.0 3.0
   88    33   -37    42   0.56750  1.0 1.0
   88    33   -37    42  -0.07550 -1.0 2.0
   88    33   -37    42   0.20000  1.0 3.0
   88    33    37    45   0.56750  1.0 1.0
   88    33    37    45  -0.07550 -1.0 2.0
   88    33    37    45   0.20000  1.0 3.0
   88    33    39    89   0.56750  1.0 1.0
   88    33    39    89  -0.07550 -1.0 2.0
   88    33    39    89   0.20000  1.0 3.0
   88    33    39    40   0.62750  1.0 1.0
   88    33    39    40  -0.30950 -1.0 2.0
   88    33    39    40   0.27300  1.0 3.0
   88    33    39    41   0.15000  1.0 3.0
   88    55    61    62   0.15000  1.0 3.0
   88    55    61    69   0.34400  1.0 1.0
   88    55    61    69   0.09450 -1.0 2.0
   88    55    61    69   0.11100  1.0 3.0
   88    55   -61    70   0.56750  1.0 1.0
   88    55   -61    70  -0.07550 -1.0 2.0
   88    55   -61    70   0.20000  1.0 3.0
   88    55    63    64   0.15000  1.0 3.0
   88    55    63    65   0.15000  1.0 3.0
   88    55    63    66   0.15000  1.0 3.0
   63    55    61    62   0.15000  1.0 3.0
   63    55    61    69   0.34400  1.0 1.0
   63    55    61    69   0.09450 -1.0 2.0
   63    55    61    69   0.11100  1.0 3.0
   63    55    61    70   0.56750  1.0 1.0
   63    55    61    70  -0.07550 -1.0 2.0
   63    55    61    70   0.20000  1.0 3.0
   63    55    88    33   0.56750  1.0 1.0
   63    55    88    33  -0.07550 -1.0 2.0
   63    55    88    33   0.20000  1.0 3.0
   63    55    88    79   0.56750  1.0 1.0
   63    55    88    79  -0.07550 -1.0 2.0
   63    55    88    79   0.20000  1.0 3.0
   63    55    88    95   0.86500  1.0 1.0
   63    55    88    95  -0.17500 -1.0 2.0
   63    55    88    95   0.20800  1.0 3.0
   56    46    55    61   0.86500  1.0 1.0
   56    46    55    61  -0.17500 -1.0 2.0
   56    46    55    61   0.20800  1.0 3.0
   56    46    55    88   0.86500  1.0 1.0
   56    46    55    88  -0.17500 -1.0 2.0
   56    46    55    88   0.20800  1.0 3.0
   56    46    55    63   0.86500  1.0 1.0
   56    46    55    63  -0.17500 -1.0 2.0
   56    46    55    63   0.20800  1.0 3.0
   45    37    42    43   0.15000  1.0 3.0
   45    37    42    44   0.15000  1.0 3.0
   45    37    42    46   0.56750  1.0 1.0
   45    37    42    46  -0.07550 -1.0 2.0
   45    37    42    46   0.20000  1.0 3.0
   45    48    58    59   0.15000  1.0 3.0
   45    48    58    60   0.15000  1.0 3.0
   45    48    58    67   0.56750  1.0 1.0
   45    48    58    67  -0.07550 -1.0 2.0
   45    48    58    67   0.20000  1.0 3.0
   45    82    89    90   0.15000  1.0 3.0
   45    82    89    91   0.15000  1.0 3.0
   45    82    89    39   0.56750  1.0 1.0
   45    82    89    39  -0.07550 -1.0 2.0
   45    82    89    39   0.20000  1.0 3.0
   48    45    82    73   0.56750  1.0 1.0
   48    45    82    73  -0.07550 -1.0 2.0
   48    45    82    73   0.20000  1.0 3.0
   48    45    82    83   0.15000  1.0 3.0
   48    45    82    89   0.56750  1.0 1.0
   48    45    82    89  -0.07550 -1.0 2.0
   48    45    82    89   0.20000  1.0 3.0
   48    45    51    52   0.15000  1.0 3.0
   48    45    51    53   0.15000  1.0 3.0
   48    45    51    54   0.15000  1.0 3.0
   48    58    67    68   0.15000  1.0 3.0
   48    58   -67    73   0.56750  1.0 1.0
   48    58   -67    73  -0.07550 -1.0 2.0
   48    58   -67    73   0.20000  1.0 3.0
   48    58    67    76   0.62750  1.0 1.0
   48    58    67    76  -0.30950 -1.0 2.0
   48    58    67    76   0.27300  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    60   0.15000  1.0 3.0
   49    48    58    67   0.15000  1.0 3.0
   50    48    58    59   0.15000  1.0 3.0
   50    48    58    60   0.15000  1.0 3.0
   50    48    58    67   0.15000  1.0 3.0
   58    67    73    74   0.15000  1.0 3.0
   58    67    73    75   0.15000  1.0 3.0
   58    67    73    82   0.56750  1.0 1.0
   58    67    73    82  -0.07550 -1.0 2.0
   58    67    73    82   0.20000  1.0 3.0
   58    67    76    84   0.06250  1.0 1.0
   58    67    76    84  -0.01100 -1.0 2.0
   58    67    76    84   0.28050  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    73   0.15000  1.0 3.0
   59    58    67    76   0.23400  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    73   0.15000  1.0 3.0
   60    58    67    76   0.23400  1.0 3.0
   67    73   -82    45   0.56750  1.0 1.0
   67    73   -82    45  -0.07550 -1.0 2.0
   67    73   -82    45   0.20000  1.0 3.0
   67    73    82    83   0.15000  1.0 3.0
   67    73    82    89   0.56750  1.0 1.0
   67    73    82    89  -0.07550 -1.0 2.0
   67    73    82    89   0.20000  1.0 3.0
   67    76    84    85   0.37050  1.0 3.0
   67    76    84    92   0.06250  1.0 1.0
   67    76    84    92  -0.01100 -1.0 2.0
   67    76    84    92   0.28050  1.0 3.0
   67    76    84   112  -0.53350  1.0 1.0
   67    76    84   112  -0.78350 -1.0 2.0
   67    76    84   112   0.33750  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    82   0.15000  1.0 3.0
   68    67    76    84   0.37050  1.0 3.0
   73    67    76    84   0.06250  1.0 1.0
   73    67    76    84  -0.01100 -1.0 2.0
   73    67    76    84   0.28050  1.0 3.0
   73    82    89    90   0.15000  1.0 3.0
   73    82    89    91   0.15000  1.0 3.0
   73    82    89    39   0.56750  1.0 1.0
   73    82    89    39  -0.07550 -1.0 2.0
   73    82    89    39   0.20000  1.0 3.0
   74    73    82    45   0.15000  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    89   0.15000  1.0 3.0
   75    73    82    45   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    89   0.15000  1.0 3.0
   82    45    48    49   0.15000  1.0 3.0
   82    45    48    50   0.15000  1.0 3.0
   82    45   -48    58   0.56750  1.0 1.0
   82    45   -48    58  -0.07550 -1.0 2.0
   82    45   -48    58   0.20000  1.0 3.0
   82    45    51    52   0.15000  1.0 3.0
   82    45    51    53   0.15000  1.0 3.0
   82    45    51    54   0.15000  1.0 3.0
   82    89   -39    33   0.56750  1.0 1.0
   82    89   -39    33  -0.07550 -1.0 2.0
   82    89   -39    33   0.20000  1.0 3.0
   82    89    39    40   0.62750  1.0 1.0
   82    89    39    40  -0.30950 -1.0 2.0
   82    89    39    40   0.27300  1.0 3.0
   82    89    39    41   0.15000  1.0 3.0
   83    82    89    90   0.15000  1.0 3.0
   83    82    89    91   0.15000  1.0 3.0
   83    82    89    39   0.15000  1.0 3.0
   90    89    39    33   0.15000  1.0 3.0
   90    89    39    40   0.23400  1.0 3.0
   90    89    39    41   0.15000  1.0 3.0
   91    89    39    33   0.15000  1.0 3.0
   91    89    39    40   0.23400  1.0 3.0
   91    89    39    41   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33   -37    45   0.56750  1.0 1.0
   39    33   -37    45  -0.07550 -1.0 2.0
   39    33   -37    45   0.20000  1.0 3.0
   39    33    88    55   0.56750  1.0 1.0
   39    33    88    55  -0.07550 -1.0 2.0
   39    33    88    55   0.20000  1.0 3.0
   39    33    88    79   0.56750  1.0 1.0
   39    33    88    79  -0.07550 -1.0 2.0
   39    33    88    79   0.20000  1.0 3.0
   39    33    88    95   0.86500  1.0 1.0
   39    33    88    95  -0.17500 -1.0 2.0
   39    33    88    95   0.20800  1.0 3.0
   76    67    73    74   0.23400  1.0 3.0
   76    67    73    75   0.23400  1.0 3.0
   76    67    73    82   0.62750  1.0 1.0
   76    67    73    82  -0.30950 -1.0 2.0
   76    67    73    82   0.27300  1.0 3.0
   76    84    92    93   0.23400  1.0 3.0
   76    84    92    97   0.62750  1.0 1.0
   76    84    92    97  -0.30950 -1.0 2.0
   76    84    92    97   0.27300  1.0 3.0
   76    84    92    99   3.69350  1.0 1.0
   76    84    92    99  -1.82950 -1.0 2.0
   76    84   112   108  -0.81800  1.0 1.0
   84    92    97    98   0.15000  1.0 3.0
   84    92    97   104   3.97050  1.0 1.0
   84    92    97   106   0.86500  1.0 1.0
   84    92    97   106  -0.17500 -1.0 2.0
   84    92    97   106   0.20800  1.0 3.0
   84    92    99   100  -0.11600  1.0 1.0
   84    92    99   100  -0.09450 -1.0 2.0
   84    92    99   100   0.21250  1.0 3.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    97   0.15000  1.0 3.0
   85    84    92    99   0.23400  1.0 3.0
   85    84   112   108   0.37050  1.0 3.0
   92    84   112   108   0.06250  1.0 1.0
   92    84   112   108  -0.01100 -1.0 2.0
   92    84   112   108   0.28050  1.0 3.0
   92    97   104   105   0.15000  1.0 3.0
   92    97  -104   108   0.56750  1.0 1.0
   92    97  -104   108  -0.07550 -1.0 2.0
   92    97  -104   108   0.20000  1.0 3.0
   92    97   104   110   0.86500  1.0 1.0
   92    97   104   110  -0.17500 -1.0 2.0
   92    97   104   110   0.20800  1.0 3.0
   92    97   106   107  -0.11600  1.0 1.0
   92    97   106   107  -0.09450 -1.0 2.0
   92    97   106   107   0.21250  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97   104   0.15000  1.0 3.0
   93    92    97   106   0.23400  1.0 3.0
   93    92    99   100   0.19450  1.0 3.0
   97    92    99   100  -0.11600  1.0 1.0
   97    92    99   100  -0.09450 -1.0 2.0
   97    92    99   100   0.21250  1.0 3.0
   97   104   108   109   0.15000  1.0 3.0
   97   104   108   112   0.62750  1.0 1.0
   97   104   108   112  -0.30950 -1.0 2.0
   97   104   108   112   0.27300  1.0 3.0
   97   104   108   113   0.56750  1.0 1.0
   97   104   108   113  -0.07550 -1.0 2.0
   97   104   108   113   0.20000  1.0 3.0
   97   104   110   111  -0.11600  1.0 1.0
   97   104   110   111  -0.09450 -1.0 2.0
   97   104   110   111   0.21250  1.0 3.0
   98    97   104   105   0.15000  1.0 3.0
   98    97   104   108   0.15000  1.0 3.0
   98    97   104   110   0.23400  1.0 3.0
   98    97   106   107   0.19450  1.0 3.0
  104    97   106   107  -0.11600  1.0 1.0
  104    97   106   107  -0.09450 -1.0 2.0
  104    97   106   107   0.21250  1.0 3.0
  104   108  -112    84   0.06250  1.0 1.0
  104   108  -112    84  -0.01100 -1.0 2.0
  104   108  -112    84   0.28050  1.0 3.0
  104   108   113   114   0.15000  1.0 3.0
  104   108   113   115   0.15000  1.0 3.0
  104   108   113   116   0.15000  1.0 3.0
  105   104   108   109   0.15000  1.0 3.0
  105   104   108   112   0.23400  1.0 3.0
  105   104   108   113   0.15000  1.0 3.0
  105   104   110   111   0.19450  1.0 3.0
  108   104   110   111  -0.11600  1.0 1.0
  108   104   110   111  -0.09450 -1.0 2.0
  108   104   110   111   0.21250  1.0 3.0
  109   108   112    84   0.37050  1.0 3.0
  109   108   113   114   0.15000  1.0 3.0
  109   108   113   115   0.15000  1.0 3.0
  109   108   113   116   0.15000  1.0 3.0
  112    84    92    93   0.23400  1.0 3.0
  112    84   -92    97   0.62750  1.0 1.0
  112    84   -92    97  -0.30950 -1.0 2.0
  112    84   -92    97   0.27300  1.0 3.0
  112    84    92    99   3.69350  1.0 1.0
  112    84    92    99  -1.82950 -1.0 2.0
  112   108   113   114   0.23400  1.0 3.0
  112   108   113   115   0.23400  1.0 3.0
  112   108   113   116   0.23400  1.0 3.0
  113   108   112    84   0.06250  1.0 1.0
  113   108   112    84  -0.01100 -1.0 2.0
  113   108   112    84   0.28050  1.0 3.0
  110   104   108   109   0.23400  1.0 3.0
  110   104   108   112   3.69350  1.0 1.0
  110   104   108   112  -1.82950 -1.0 2.0
  110   104   108   113   0.86500  1.0 1.0
  110   104   108   113  -0.17500 -1.0 2.0
  110   104   108   113   0.20800  1.0 3.0
  106    97   104   105   0.23400  1.0 3.0
  106    97   104   108   0.86500  1.0 1.0
  106    97   104   108  -0.17500 -1.0 2.0
  106    97   104   108   0.20800  1.0 3.0
  106    97   104   110   3.75450  1.0 1.0
   99    92    97    98   0.23400  1.0 3.0
   99    92    97   104   0.86500  1.0 1.0
   99    92    97   104  -0.17500 -1.0 2.0
   99    92    97   104   0.20800  1.0 3.0
   99    92    97   106   3.75450  1.0 1.0
   51    45    48    49   0.15000  1.0 3.0
   51    45    48    50   0.15000  1.0 3.0
   51    45    48    58   0.56750  1.0 1.0
   51    45    48    58  -0.07550 -1.0 2.0
   51    45    48    58   0.20000  1.0 3.0
   51    45    82    73   0.56750  1.0 1.0
   51    45    82    73  -0.07550 -1.0 2.0
   51    45    82    73   0.20000  1.0 3.0
   51    45    82    83   0.15000  1.0 3.0
   51    45    82    89   0.56750  1.0 1.0
   51    45    82    89  -0.07550 -1.0 2.0
   51    45    82    89   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   61   101    69    77   1.10000 -1.0 2.0
   86    78    77    69   1.10000 -1.0 2.0
   77    94    86    87  10.50000 -1.0 2.0
END
