* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    230    370     693
    1     0 S   NP   _N1_     1    29.96002    94.16098   -26.58500
    2     1 S   H    _HN1     2     1.02828    22.85994  -149.87419
    3     1 S   H    _H1_     3     1.02787   124.50938  -102.00052
    4     1 S   H    _H2_     4     1.02950    85.99629     7.57626
    5     1 S   CT   _CA1     5     1.50116   111.68051   117.94583
    6     5 S   HC   _HA1     6     1.09573   105.19037    83.74272
    7     5 S   CO3  _C1_     7     1.53785   112.48666   -36.47830
    8     7 S   O2Z  _O11     8     1.26371   115.00855   -42.02815
    9     7 S   O2Z  _O12     9     1.26242   114.94508   137.10268
   10     5 S   CT   _CB1    10     1.53073   107.41429  -158.28233
   11    10 S   HC   HB11    11     1.09833   109.35098   -49.76632
   12    10 S   HC   HB12    12     1.09814   110.44566    66.83068
   13    10 S   CT   _CG1    13     1.52991   112.62790  -170.75688
   14    13 S   HC   HG11    14     1.09581   110.62350   -65.83144
   15    13 S   HC   HG12    15     1.09668   109.80490    53.41587
   16    13 S   C    _CD1    16     1.51783   112.21420   173.84445
   17    16 S   O    _OE1    17     1.22737   123.29261     6.34471
   18    16 S   N    _N2_    18     1.38677   111.68655  -173.59727
   19    18 S   H    _HN2    19     1.01570   119.01467     1.71052
   20    18 S   CT1  _CA2    20     1.46088   123.23719   177.86128
   21    20 S   HC   _HA2    21     1.09615   109.22172     4.99477
   22    20 S   C    _C2_    22     1.53612   108.80250  -110.68008
   23    22 S   O    _O2_    23     1.23088   122.21034  -147.46755
   24    20 S   CT   _CB2    32     1.53333   111.84522   127.13653
   25    24 S   HC   HB21    33     1.09466   109.58102    58.67906
   26    24 S   HC   HB22    34     1.09510   109.47468   177.45209
   27    22 S   N    _N3_    24     1.38291   113.85269    39.78125
   28    27 S   H    _HN3    25     1.01571   119.56713    -4.19134
   29    24 S   S    _SG2    35     1.82623   112.33308   -61.76912
   30    27 S   CT   _CA3    26     1.45319   123.20364   179.30959
   31    30 S   HC   HA31    27     1.09485   108.33191   -47.80414
   32    30 S   HC   HA32    28     1.09548   107.36890    68.45532
   33    29 S   CT   _C33    36     1.86562   100.33218  -159.72012
   34    33 S   HC   _H3_    37     1.08898   104.44353    45.22235
   35    30 S   CO3  _C3_    29     1.52901   113.88979  -170.87290
   36    35 S   O2Z  _O31    30     1.26383   115.90367   -16.72171
   37    35 S   O2Z  _O32    31     1.26399   114.53025   163.56893
   38    33 S   CM   _C10    38     1.51534   105.74831   161.78315
   39    38 S   HC   _H44    39     1.09384   112.61647    70.14734
   40    33 S   CT   _C35   104     1.57687   114.22439   -72.35814
   41    38 S   CMA  _C11    40     1.35916   132.35164  -110.73305
   42    41 S   OM   _O33    41     1.26766   125.29875  -178.42679
   43    40 S   CT   _C31   105     1.53927   113.01088   -47.47006
   44    43 S   HC   _H76   106     1.09488   111.63199    71.82750
   45    43 S   HC   _H77   107     1.09399   111.98933   -50.73428
   46    43 S   HC   _H78   108     1.09505   111.48499  -170.02557
   47    40 S   CT   _C32   109     1.54181   110.42652  -171.19797
   48    47 S   HC   _H79   110     1.09473   110.73702   -59.71018
   49    47 S   HC   _H80   111     1.09421   112.30269    62.42336
   50    47 S   HC   _H81   112     1.09468   111.73625  -177.58419
   51    40 S   OS   _O40   113     1.46565   104.92745    73.07869
   52    41 S   CT   _C34    42     1.58549   123.38731     1.63602
   53    51 S   CO4  _C12   114     1.35958   123.34875  -177.73601
   54    53 S   O    _O36   115     1.22208   127.22089     0.10087
   55    52 S   CT   _C18    43     1.57399   111.88810    66.24766
   56    55 S   HC   _H53    44     1.09207   105.24716   -53.53881
   57    52 S   CT   _C30    98     1.53821   110.23149   -61.67136
   58    57 S   HC   _H73    99     1.09480   111.68624  -157.86810
   59    57 S   HC   _H74   100     1.09039   113.53184    80.30889
   60    57 S   HC   _H75   101     1.09703   110.68130   -41.36612
   61    52 S   OH   _O39   102     1.44967   110.42656  -174.66634
   62    61 S   HO   _H85   103     0.97422   106.51598    -0.47395
   63    53 S   CT   _C24   116     1.49947   109.08174   179.81443
   64    63 S   HC   _H55   117     1.09286   109.83613   -63.49476
   65    63 S   HC   _H56   118     1.09378   109.37647   177.31066
   66    63 S   HC   _H57   119     1.09304   109.86418    58.39823
   67    55 S   CT   _C19    45     1.56868   112.59025    64.37101
   68    67 S   HC   _H54    46     1.09480   112.42212    31.72326
   69    67 S   CT   _C15    47     1.54804   107.44048   152.08288
   70    69 S   HC   _H49    48     1.09581   112.25212   133.66862
   71    69 S   HC   _H50    49     1.09612   109.68181  -107.50650
   72    67 S   OH   _O38    96     1.42224   110.10766   -88.36119
   73    72 S   HO   _H84    97     0.97180   107.45004   175.17343
   74    69 S   CT   _C23    50     1.54554   104.65900    11.11198
   75    74 S   CT   _C17    51     1.56276   115.27980  -154.55207
   76    75 S   HC   _H52    52     1.09827   104.76873    50.37630
   77    55 S   CT   _C22    83     1.56640   122.05310  -174.41682
   78    74 S   CT   _C29    92     1.56148   105.23180    82.49483
   79    78 S   HC   _H70    93     1.08715   113.81360  -164.00492
   80    78 S   HC   _H71    94     1.09376   111.43040    73.46165
   81    78 S   HC   _H72    95     1.09306   113.03392   -43.63641
   82    75 S   CT   _C13    53     1.53966   114.75477   -61.80707
   83    82 S   HC   _H45    54     1.09808   108.96792   143.99557
   84    82 S   HC   _H46    55     1.09555   110.37175    28.76000
   85    77 S   CT   _C28    84     1.56239   110.15951   -47.86769
   86    85 S   HC   _H67    85     1.09354   112.94703   -50.73177
   87    85 S   HC   _H68    86     1.09323   113.29031  -172.21137
   88    85 S   HC   _H69    87     1.09407   111.04182    69.96747
   89    82 S   CM   _C5_    56     1.49381   115.69720   -95.42539
   90    89 S   HC   _H43    57     1.08567   113.55064   167.79564
   91    89 S   CM   _C7_    58     1.34603   125.80603   -10.88246
   92    91 S   CT   _C16    59     1.53104   121.12639    -2.52964
   93    92 S   HC   _H51    60     1.09463   106.97699   107.49656
   94    92 S   CM   _C4_    61     1.51951   110.98356  -140.31393
   95    94 S   HC   _H42    62     1.08760   117.25686   170.78002
   96    75 S   CT   _C21    77     1.57683   114.32153   167.48549
   97    94 S   CM   _C6_    63     1.33689   125.53963    -9.71829
   98    96 S   CO4  _C9_    78     1.55777   111.12961   -39.05789
   99    98 S   O    _O35    79     1.23507   121.43017  -147.53568
  100    96 S   CT   _C27    88     1.55827   106.63317  -155.89505
  101   100 S   HC   _H64    89     1.09458   112.03446   -65.49841
  102   100 S   HC   _H65    90     1.09523   112.66100   173.38521
  103   100 S   HC   _H66    91     1.09662   110.78249    54.98069
  104    97 S   CO4  _C8_    64     1.48746   120.01163    -3.70502
  105   104 S   O    _O34    65     1.23182   118.30706   171.03227
  106    97 S   OH   _O37    75     1.37804   121.42643   177.64432
  107   106 S   HO   _H83    76     0.97449   106.70455  -179.75213
  108    98 S   CT   _C14    80     1.52621   119.63478    36.37710
  109   108 S   HC   _H47    81     1.09292   108.97858    76.11545
  110   108 S   HC   _H48    82     1.09425   106.96582  -169.33685
  111    91 S   CT   _C20    66     1.53696   122.86028   177.11493
  112   111 S   CT   _C25    67     1.54567   114.64641     6.44899
  113   112 S   HC   _H58    68     1.09705   111.31455   178.33893
  114   112 S   HC   _H59    69     1.09654   111.52062    59.27118
  115   112 S   HC   _H60    70     1.09608   111.69270   -62.42009
  116   111 S   CT   _C26    71     1.54059   110.62503  -114.90126
  117   116 S   HC   _H61    72     1.09667   110.85496   179.60189
  118   116 S   HC   _H62    73     1.09620   111.11680    59.68893
  119   116 S   HC   _H63    74     1.09524   112.76868   -61.34955
  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   9   5   4   3
  17   7   2   1   1  11   4  13  12   4   9   4   3   2   5   3
   2   1   6  16   5   4  26  10   7   3   2   1   3   1   3   2
   1   1  12   7  16   6   5   3   1  22  24  10  15   7   2   1
   1  10   5   4   7   3   2   1  10   3  19  17   7  10   4  11
   7   8   4   4   2   1   1  12   4   2   1   2   1   1   8   7
   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    52    40    43    44    45    46    47    48    49    50    51    53  
   38    39    41    40    43    47    51  
   36    37  
   37  
    0  
   39    41    42    52    55    57    61    40    43    47    51  
   41    42    52    40  
   43    44    45    46    47    48    49    50    51    53    54    63    41  
   42    52    55    56    67    77    57    58    59    60    61    62  
   52    55    57    61  
   44    45    46    47    48    49    50    51    53  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    53  
   49    50    51  
   50    51  
   51  
   53    54    63    64    65    66  
   55    56    67    68    69    74   108    77    85    72    57    58    59    60    61    62  
   54    63    64    65    66  
   63    64    65    66  
   56    67    68    69    70    71    74    75    98   108   109   110    77    85    86    87    88    78    72    73    57    58    59    60    61    62  
   67    68    69    74   108    77    85    72    57    61  
   58    59    60    61    62    67    77  
   59    60    61  
   60    61  
   61  
   62    67    77  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    74    75   108    77    85    78    72    73  
   69    70    71    74    77    72    73  
   70    71    74    75    76    82    96   108    77    85    78    79    80    81    72    73  
   71    74    75    77    78    72  
   74    75    77    78    72  
   73    74    77  
    0  
   75    76    82    83    84    89    92    96    98   108   109   110    77    85    86    87    88   100    78    79    80    81  
   76    82    83    84    89    90    91    92    93    94    96    98    99   108    77    85   100   101   102   103    78    79    80    81  
   82    83    84    89    92    96    98    77   100    78  
   85    86    87    88    78    79    80    81    82    96    98    99   108   109   110  
   79    80    81    82    85    96   108  
   80    81  
   81  
    0  
   83    84    89    90    91    92   111    96    98   100  
   84    89    90    91    96  
   89    90    91    96  
   86    87    88    98   108   109   110  
   87    88   108  
   88   108  
  108  
   90    91    92    93    94   104   111   112   116    96  
   91    92   111  
   92    93    94    95    97   104   105   111   112   113   114   115   116   117   118   119    96    98   100  
   93    94    95    97   104   111   112   116   106    96    98    99   108   100   101   102   103  
   94    95    97   111    96    98   100  
   95    97   104   105   111   106   107    96    98   100  
   97   104   106    96  
   98    99   108   109   110   100   101   102   103    97   111  
  104   105   111   112   116   106   107  
   99   108   109   110   100   101   102   103  
  108   109   110   100  
  101   102   103   108  
  102   103  
  103  
    0  
  105   111   112   113   114   115   116   117   118   119   106   107  
  111   112   116   106  
  107   111  
    0  
  109   110  
  110  
    0  
  112   113   114   115   116   117   118   119  
  113   114   115   116   117   118   119  
  114   115   116  
  115   116  
  116  
  117   118   119  
  118   119  
  119  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   98   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    52   270.000  1.512
   52    55   268.000  1.529
   52    57   268.000  1.529
   52    61   320.000  1.410
   55    56   340.000  1.090
   55    67   268.000  1.529
   55    77   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    78   268.000  1.529
   75    76   340.000  1.090
   75    82   268.000  1.529
   75    96   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   317.000  1.510
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   317.000  1.510
   91   111   317.000  1.510
   92    93   340.000  1.090
   92    94   317.000  1.510
   92    96   268.000  1.529
   94    95   340.000  1.080
   94    97   549.000  1.340
   97   104   320.000  1.462
   97   106   510.000  1.338
  104   105   570.000  1.229
  104   111   317.000  1.522
  111   112   268.000  1.529
  111   116   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  106   107   553.000  0.945
   96    98   317.000  1.522
   96   100   268.000  1.529
   98    99   570.000  1.229
   98   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
  108    77   268.000  1.529
   77    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    73   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   40    43   268.000  1.529
   40    47   268.000  1.529
   40    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   33    40    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    52    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    52    55    70.00000  112.02700
   41    52    57    70.00000  112.02700
   41    52    61    90.00000  110.39200
   52    41    42    85.00000  112.85300
   52    55    56    37.50000  110.70000
   52    55    67    58.35000  112.70000
   52    55    77    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    55.00000  108.50000
   55    67    68    37.50000  110.70000
   55    67    69    58.35000  112.70000
   55    67    72    50.00000  109.50000
   55    77    74    58.35000  112.70000
   55    77   108    58.35000  112.70000
   55    77    85    58.35000  112.70000
   67    55    56    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    74    58.35000  112.70000
   67    72    73    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    74    75    58.35000  112.70000
   69    74    77    58.35000  112.70000
   69    74    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    82    58.35000  112.70000
   74    75    96    58.35000  112.70000
   74    77   108    58.35000  112.70000
   74    77    85    58.35000  112.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    89    70.00000  112.02700
   75    96    92    58.35000  112.70000
   75    96    98    63.00000  111.10000
   75    96   100    58.35000  112.70000
   82    75    76    37.50000  110.70000
   82    89    90    35.00000  117.00000
   82    89    91    70.00000  124.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   89    91    92    70.00000  124.00000
   89    91   111    70.00000  124.00000
   91    89    90    35.00000  120.00000
   91    92    93    35.00000  109.50000
   91    92    94    70.00000  110.12100
   91    92    96    70.00000  112.02700
   91   111   104    70.00000  109.06800
   91   111   112    70.00000  112.02700
   91   111   116    70.00000  112.02700
   92    94    95    35.00000  117.00000
   92    94    97    70.00000  124.00000
   92    96    98    63.00000  111.10000
   92    96   100    58.35000  112.70000
   94    92    93    35.00000  109.50000
   94    97   104    65.00000  118.96000
   94    97   106    80.00000  121.38400
   97    94    95    35.00000  120.00000
   97   104   105    80.00000  123.72100
   97   104   111    65.00000  118.62400
   97   106   107    70.00000  107.45700
  104   111   112    63.00000  111.10000
  104   111   116    63.00000  111.10000
  111    91    92    65.00000  117.92700
  111   104   105    80.00000  120.40000
  111   112   113    37.50000  110.70000
  111   112   114    37.50000  110.70000
  111   112   115    37.50000  110.70000
  111   116   117    37.50000  110.70000
  111   116   118    37.50000  110.70000
  111   116   119    37.50000  110.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  116   111   112    58.35000  112.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  106    97   104    85.00000  116.28000
   96    75    76    37.50000  110.70000
   96    75    82    58.35000  112.70000
   96    92    93    37.50000  110.70000
   96    92    94    70.00000  112.02700
   96    98    99    80.00000  120.40000
   96    98   108    70.00000  116.00000
   96   100   101    37.50000  110.70000
   96   100   102    37.50000  110.70000
   96   100   103    37.50000  110.70000
   98   108   109    35.00000  109.50000
   98   108   110    35.00000  109.50000
   98   108    77    63.00000  111.10000
  108    98    99    80.00000  120.40000
  108    77    85    58.35000  112.70000
  110   108   109    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    67    58.35000  112.70000
   77    74    75    58.35000  112.70000
   77   108   109    37.50000  110.70000
   77   108   110    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
  100    96    98    63.00000  111.10000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   78    74    75    58.35000  112.70000
   78    74    77    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   57    52    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    55    50.00000  109.50000
   61    52    57    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   40    51    53    83.00000  116.90000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    40    43    50.00000  109.50000
   51    40    47    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    63    81.00000  111.40000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   63    53    54    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   29    33    40    51   0.56750  1.0 1.0
   29    33    40    51  -0.07550 -1.0 2.0
   29    33    40    51   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    52   7.00000 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   33    40    51    53  -0.25900  1.0 1.0
   33    40    51    53  -0.47000 -1.0 2.0
   33    40    51    53   0.11750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   34    33    40    51   0.23400  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    33    40    51   0.61850  1.0 1.0
   38    33    40    51  -0.22750 -1.0 2.0
   38    33    40    51   0.15300  1.0 3.0
   38    41    52    55   0.09850  1.0 1.0
   38    41    52    55   0.15250 -1.0 2.0
   38    41    52    55  -0.50650  1.0 3.0
   38    41    52    57   0.09850  1.0 1.0
   38    41    52    57   0.15250 -1.0 2.0
   38    41    52    57  -0.50650  1.0 3.0
   38    41    52    61   0.67800  1.0 1.0
   38    41    52    61   0.47050 -1.0 2.0
   38    41    52    61  -0.62500  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    52   7.00000 -1.0 2.0
   41    52    55    56   0.15000  1.0 3.0
   41    52    55    67   0.34400  1.0 1.0
   41    52    55    67   0.09450 -1.0 2.0
   41    52    55    67   0.11100  1.0 3.0
   41    52    55    77   0.34400  1.0 1.0
   41    52    55    77   0.09450 -1.0 2.0
   41    52    55    77   0.11100  1.0 3.0
   41    52    57    58   0.15000  1.0 3.0
   41    52    57    59   0.15000  1.0 3.0
   41    52    57    60   0.15000  1.0 3.0
   41    52    61    62  -0.07800  1.0 1.0
   41    52    61    62  -0.21500 -1.0 2.0
   41    52    61    62  -0.03150  1.0 3.0
   42    41    52    55   0.09700  1.0 1.0
   42    41    52    55   0.15600 -1.0 2.0
   42    41    52    55  -0.50800  1.0 3.0
   42    41    52    57   0.09700  1.0 1.0
   42    41    52    57   0.15600 -1.0 2.0
   42    41    52    57  -0.50800  1.0 3.0
   42    41    52    61   0.09700  1.0 1.0
   42    41    52    61   0.15600 -1.0 2.0
   42    41    52    61  -0.50800  1.0 3.0
   52    55    67    68   0.15000  1.0 3.0
   52    55    67    69   0.56750  1.0 1.0
   52    55    67    69  -0.07550 -1.0 2.0
   52    55    67    69   0.20000  1.0 3.0
   52    55    67    72   0.86500  1.0 1.0
   52    55    67    72  -0.17500 -1.0 2.0
   52    55    67    72   0.20800  1.0 3.0
   52    55    77    74   0.56750  1.0 1.0
   52    55    77    74  -0.07550 -1.0 2.0
   52    55    77    74   0.20000  1.0 3.0
   52    55    77   108   0.56750  1.0 1.0
   52    55    77   108  -0.07550 -1.0 2.0
   52    55    77   108   0.20000  1.0 3.0
   52    55    77    85   0.56750  1.0 1.0
   52    55    77    85  -0.07550 -1.0 2.0
   52    55    77    85   0.20000  1.0 3.0
   55    52    57    58   0.15000  1.0 3.0
   55    52    57    59   0.15000  1.0 3.0
   55    52    57    60   0.15000  1.0 3.0
   55    52    61    62  -0.11600  1.0 1.0
   55    52    61    62  -0.09450 -1.0 2.0
   55    52    61    62   0.21250  1.0 3.0
   55    67    69    70   0.15000  1.0 3.0
   55    67    69    71   0.15000  1.0 3.0
   55    67   -69    74   0.56750  1.0 1.0
   55    67   -69    74  -0.07550 -1.0 2.0
   55    67   -69    74   0.20000  1.0 3.0
   55    67    72    73  -0.11600  1.0 1.0
   55    67    72    73  -0.09450 -1.0 2.0
   55    67    72    73   0.21250  1.0 3.0
   55    77    85    86   0.15000  1.0 3.0
   55    77    85    87   0.15000  1.0 3.0
   55    77    85    88   0.15000  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    72   0.23400  1.0 3.0
   56    55    77    74   0.15000  1.0 3.0
   56    55    77   108   0.15000  1.0 3.0
   56    55    77    85   0.15000  1.0 3.0
   67    55   -77    74   0.56750  1.0 1.0
   67    55   -77    74  -0.07550 -1.0 2.0
   67    55   -77    74   0.20000  1.0 3.0
   67    55    77   108   0.56750  1.0 1.0
   67    55    77   108  -0.07550 -1.0 2.0
   67    55    77   108   0.20000  1.0 3.0
   67    55    77    85   0.56750  1.0 1.0
   67    55    77    85  -0.07550 -1.0 2.0
   67    55    77    85   0.20000  1.0 3.0
   67    69    74    75   0.56750  1.0 1.0
   67    69    74    75  -0.07550 -1.0 2.0
   67    69    74    75   0.20000  1.0 3.0
   67    69   -74    77   0.56750  1.0 1.0
   67    69   -74    77  -0.07550 -1.0 2.0
   67    69   -74    77   0.20000  1.0 3.0
   67    69    74    78   0.56750  1.0 1.0
   67    69    74    78  -0.07550 -1.0 2.0
   67    69    74    78   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73  -0.11600  1.0 1.0
   69    67    72    73  -0.09450 -1.0 2.0
   69    67    72    73   0.21250  1.0 3.0
   69    74    75    76   0.15000  1.0 3.0
   69    74    75    82   0.56750  1.0 1.0
   69    74    75    82  -0.07550 -1.0 2.0
   69    74    75    82   0.20000  1.0 3.0
   69    74    75    96   0.56750  1.0 1.0
   69    74    75    96  -0.07550 -1.0 2.0
   69    74    75    96   0.20000  1.0 3.0
   69    74   -77    55   0.56750  1.0 1.0
   69    74   -77    55  -0.07550 -1.0 2.0
   69    74   -77    55   0.20000  1.0 3.0
   69    74    77   108   0.56750  1.0 1.0
   69    74    77   108  -0.07550 -1.0 2.0
   69    74    77   108   0.20000  1.0 3.0
   69    74    77    85   0.56750  1.0 1.0
   69    74    77    85  -0.07550 -1.0 2.0
   69    74    77    85   0.20000  1.0 3.0
   69    74    78    79   0.15000  1.0 3.0
   69    74    78    80   0.15000  1.0 3.0
   69    74    78    81   0.15000  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   70    69    74    78   0.15000  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   71    69    74    78   0.15000  1.0 3.0
   74    75    82    83   0.15000  1.0 3.0
   74    75    82    84   0.15000  1.0 3.0
   74    75    82    89   0.34400  1.0 1.0
   74    75    82    89   0.09450 -1.0 2.0
   74    75    82    89   0.11100  1.0 3.0
   74    75    96    92   0.56750  1.0 1.0
   74    75    96    92  -0.07550 -1.0 2.0
   74    75    96    92   0.20000  1.0 3.0
   74    75    96    98  -0.95700  1.0 1.0
   74    75    96    98  -0.18200 -1.0 2.0
   74    75    96    98   0.29450  1.0 3.0
   74    75    96   100   0.56750  1.0 1.0
   74    75    96   100  -0.07550 -1.0 2.0
   74    75    96   100   0.20000  1.0 3.0
   74    77    85    86   0.15000  1.0 3.0
   74    77    85    87   0.15000  1.0 3.0
   74    77    85    88   0.15000  1.0 3.0
   75    74    77    55   0.56750  1.0 1.0
   75    74    77    55  -0.07550 -1.0 2.0
   75    74    77    55   0.20000  1.0 3.0
   75    74    77   108   0.56750  1.0 1.0
   75    74    77   108  -0.07550 -1.0 2.0
   75    74    77   108   0.20000  1.0 3.0
   75    74    77    85   0.56750  1.0 1.0
   75    74    77    85  -0.07550 -1.0 2.0
   75    74    77    85   0.20000  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   75    82    89    90   0.00000  1.0 1.0
   75    82    89    91   0.09850  1.0 1.0
   75    82    89    91   0.15250 -1.0 2.0
   75    82    89    91  -0.50650  1.0 3.0
   75    96    98    99   0.30150 -1.0 2.0
   75    96   -98   108   0.60050  1.0 1.0
   75    96   -98   108   0.05600 -1.0 2.0
   75    96   -98   108   0.26150  1.0 3.0
   75    96   100   101   0.15000  1.0 3.0
   75    96   100   102   0.15000  1.0 3.0
   75    96   100   103   0.15000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    89   0.15000  1.0 3.0
   76    75    96    92   0.15000  1.0 3.0
   76    75    96    98  -0.11250  1.0 3.0
   76    75    96   100   0.15000  1.0 3.0
   82    75    96    92   0.56750  1.0 1.0
   82    75    96    92  -0.07550 -1.0 2.0
   82    75    96    92   0.20000  1.0 3.0
   82    75    96    98  -0.95700  1.0 1.0
   82    75    96    98  -0.18200 -1.0 2.0
   82    75    96    98   0.29450  1.0 3.0
   82    75    96   100   0.56750  1.0 1.0
   82    75    96   100  -0.07550 -1.0 2.0
   82    75    96   100   0.20000  1.0 3.0
   82    89   -91    92   7.00000 -1.0 2.0
   82    89    91   111   7.00000 -1.0 2.0
   83    82    89    90   0.33100  1.0 3.0
   83    82    89    91   0.00000  1.0 1.0
   84    82    89    90   0.33100  1.0 3.0
   84    82    89    91   0.00000  1.0 1.0
   89    91    92    93   0.00000  1.0 1.0
   89    91    92    94  -0.28300  1.0 1.0
   89    91    92    94   0.26700 -1.0 2.0
   89    91    92    94  -0.63300  1.0 3.0
   89    91    92    96   0.09850  1.0 1.0
   89    91    92    96   0.15250 -1.0 2.0
   89    91    92    96  -0.50650  1.0 3.0
   89    91   111   104  -0.51250  1.0 1.0
   89    91   111   104  -0.88800 -1.0 2.0
   89    91   111   104   0.08850  1.0 3.0
   89    91   111   112   0.09850  1.0 1.0
   89    91   111   112   0.15250 -1.0 2.0
   89    91   111   112  -0.50650  1.0 3.0
   89    91   111   116   0.09850  1.0 1.0
   89    91   111   116   0.15250 -1.0 2.0
   89    91   111   116  -0.50650  1.0 3.0
   90    89    91    92   7.00000 -1.0 2.0
   90    89    91   111   7.00000 -1.0 2.0
   91    92    94    95   0.00000  1.0 1.0
   91    92    94    97  -0.28300  1.0 1.0
   91    92    94    97   0.26700 -1.0 2.0
   91    92    94    97  -0.63300  1.0 3.0
   91    92   -96    75   0.34400  1.0 1.0
   91    92   -96    75   0.09450 -1.0 2.0
   91    92   -96    75   0.11100  1.0 3.0
   91    92    96    98  -0.98800  1.0 1.0
   91    92    96    98   0.48800 -1.0 2.0
   91    92    96    98   0.76800  1.0 3.0
   91    92    96   100   0.34400  1.0 1.0
   91    92    96   100   0.09450 -1.0 2.0
   91    92    96   100   0.11100  1.0 3.0
   91   111   112   113   0.15000  1.0 3.0
   91   111   112   114   0.15000  1.0 3.0
   91   111   112   115   0.15000  1.0 3.0
   91   111   116   117   0.15000  1.0 3.0
   91   111   116   118   0.15000  1.0 3.0
   91   111   116   119   0.15000  1.0 3.0
   92    91   111   104   0.17250  1.0 1.0
   92    91   111   104  -0.04100 -1.0 2.0
   92    91   111   104  -0.33850  1.0 3.0
   92    91   111   112   0.46850  1.0 1.0
   92    91   111   112   0.08550 -1.0 2.0
   92    91   111   112   0.09800  1.0 3.0
   92    91   111   116   0.46850  1.0 1.0
   92    91   111   116   0.08550 -1.0 2.0
   92    91   111   116   0.09800  1.0 3.0
   92    94   -97   104   7.00000 -1.0 2.0
   92    94    97   106   7.00000 -1.0 2.0
   92    96    98    99   0.30150 -1.0 2.0
   92    96    98   108   0.60050  1.0 1.0
   92    96    98   108   0.05600 -1.0 2.0
   92    96    98   108   0.26150  1.0 3.0
   92    96   100   101   0.15000  1.0 3.0
   92    96   100   102   0.15000  1.0 3.0
   92    96   100   103   0.15000  1.0 3.0
   93    92    94    95   0.33100  1.0 3.0
   93    92    94    97   0.00000  1.0 1.0
   93    92    96    75   0.15000  1.0 3.0
   93    92    96    98  -0.11250  1.0 3.0
   93    92    96   100   0.15000  1.0 3.0
   94    92    96    75   0.34400  1.0 1.0
   94    92    96    75   0.09450 -1.0 2.0
   94    92    96    75   0.11100  1.0 3.0
   94    92    96    98  -0.98800  1.0 1.0
   94    92    96    98   0.48800 -1.0 2.0
   94    92    96    98   0.76800  1.0 3.0
   94    92    96   100   0.34400  1.0 1.0
   94    92    96   100   0.09450 -1.0 2.0
   94    92    96   100   0.11100  1.0 3.0
   94    97   104   105   1.00000 -1.0 2.0
   94    97   104   111  -0.33500  1.0 1.0
   94    97   104   111   1.06600 -1.0 2.0
   94    97   104   111  -0.14000  1.0 3.0
   94    97   106   107  -0.66100  1.0 1.0
   94    97   106   107   1.20850 -1.0 2.0
   94    97   106   107  -0.36000  1.0 3.0
   95    94    97   104   7.00000 -1.0 2.0
   95    94    97   106   7.00000 -1.0 2.0
   97   104  -111    91   0.65300  1.0 1.0
   97   104  -111    91  -0.03850 -1.0 2.0
   97   104  -111    91   0.33900  1.0 3.0
   97   104   111   112   0.65300  1.0 1.0
   97   104   111   112  -0.03850 -1.0 2.0
   97   104   111   112   0.33900  1.0 3.0
   97   104   111   116   0.65300  1.0 1.0
   97   104   111   116  -0.03850 -1.0 2.0
   97   104   111   116   0.33900  1.0 3.0
  104    97   106   107   2.00000 -1.0 2.0
  104   111   112   113  -0.11250  1.0 3.0
  104   111   112   114  -0.11250  1.0 3.0
  104   111   112   115  -0.11250  1.0 3.0
  104   111   116   117  -0.11250  1.0 3.0
  104   111   116   118  -0.11250  1.0 3.0
  104   111   116   119  -0.11250  1.0 3.0
  105   104   111    91   0.30150 -1.0 2.0
  105   104   111   112   0.30150 -1.0 2.0
  105   104   111   116   0.30150 -1.0 2.0
  111    91    92    93   0.34800  1.0 3.0
  111    91   -92    94   0.09700  1.0 1.0
  111    91   -92    94   0.15600 -1.0 2.0
  111    91   -92    94  -0.50800  1.0 3.0
  111    91    92    96   0.46850  1.0 1.0
  111    91    92    96   0.08550 -1.0 2.0
  111    91    92    96   0.09800  1.0 3.0
  112   111   116   117   0.15000  1.0 3.0
  112   111   116   118   0.15000  1.0 3.0
  112   111   116   119   0.15000  1.0 3.0
  116   111   112   113   0.15000  1.0 3.0
  116   111   112   114   0.15000  1.0 3.0
  116   111   112   115   0.15000  1.0 3.0
  106    97   104   105  -0.11900  1.0 1.0
  106    97   104   105   0.76850 -1.0 2.0
  106    97   104   105   0.14100  1.0 3.0
  106    97   104   111   0.32450 -1.0 2.0
  106    97   104   111   0.17400  1.0 3.0
   96    75    82    83   0.15000  1.0 3.0
   96    75    82    84   0.15000  1.0 3.0
   96    75   -82    89   0.34400  1.0 1.0
   96    75   -82    89   0.09450 -1.0 2.0
   96    75   -82    89   0.11100  1.0 3.0
   96    92    94    95   0.00000  1.0 1.0
   96    92    94    97   0.09850  1.0 1.0
   96    92    94    97   0.15250 -1.0 2.0
   96    92    94    97  -0.50650  1.0 3.0
   96    98   108   109   0.00000  1.0 1.0
   96    98   108   110   0.00000  1.0 1.0
   96    98   108    77   0.60050  1.0 1.0
   96    98   108    77   0.05600 -1.0 2.0
   96    98   108    77   0.26150  1.0 3.0
   98    96   100   101  -0.11250  1.0 3.0
   98    96   100   102  -0.11250  1.0 3.0
   98    96   100   103  -0.11250  1.0 3.0
   98   108    77    55  -0.95700  1.0 1.0
   98   108    77    55  -0.18200 -1.0 2.0
   98   108    77    55   0.29450  1.0 3.0
   98   108   -77    74  -0.95700  1.0 1.0
   98   108   -77    74  -0.18200 -1.0 2.0
   98   108   -77    74   0.29450  1.0 3.0
   98   108    77    85  -0.95700  1.0 1.0
   98   108    77    85  -0.18200 -1.0 2.0
   98   108    77    85   0.29450  1.0 3.0
   99    98   108   109   0.00000  1.0 1.0
   99    98   108   110   0.00000  1.0 1.0
   99    98   108    77   0.30150 -1.0 2.0
  108    77    85    86   0.15000  1.0 3.0
  108    77    85    87   0.15000  1.0 3.0
  108    77    85    88   0.15000  1.0 3.0
  109   108    77    55   0.15000  1.0 3.0
  109   108    77    74   0.15000  1.0 3.0
  109   108    77    85   0.15000  1.0 3.0
  110   108    77    55   0.15000  1.0 3.0
  110   108    77    74   0.15000  1.0 3.0
  110   108    77    85   0.15000  1.0 3.0
   77    55    67    68   0.15000  1.0 3.0
   77    55   -67    69   0.56750  1.0 1.0
   77    55   -67    69  -0.07550 -1.0 2.0
   77    55   -67    69   0.20000  1.0 3.0
   77    55    67    72   0.86500  1.0 1.0
   77    55    67    72  -0.17500 -1.0 2.0
   77    55    67    72   0.20800  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    82   0.56750  1.0 1.0
   77    74    75    82  -0.07550 -1.0 2.0
   77    74    75    82   0.20000  1.0 3.0
   77    74   -75    96   0.56750  1.0 1.0
   77    74   -75    96  -0.07550 -1.0 2.0
   77    74   -75    96   0.20000  1.0 3.0
   77    74    78    79   0.15000  1.0 3.0
   77    74    78    80   0.15000  1.0 3.0
   77    74    78    81   0.15000  1.0 3.0
  100    96    98    99   0.30150 -1.0 2.0
  100    96    98   108   0.60050  1.0 1.0
  100    96    98   108   0.05600 -1.0 2.0
  100    96    98   108   0.26150  1.0 3.0
   78    74    75    76   0.15000  1.0 3.0
   78    74    75    82   0.56750  1.0 1.0
   78    74    75    82  -0.07550 -1.0 2.0
   78    74    75    82   0.20000  1.0 3.0
   78    74    75    96   0.56750  1.0 1.0
   78    74    75    96  -0.07550 -1.0 2.0
   78    74    75    96   0.20000  1.0 3.0
   78    74    77    55   0.56750  1.0 1.0
   78    74    77    55  -0.07550 -1.0 2.0
   78    74    77    55   0.20000  1.0 3.0
   78    74    77   108   0.56750  1.0 1.0
   78    74    77   108  -0.07550 -1.0 2.0
   78    74    77   108   0.20000  1.0 3.0
   78    74    77    85   0.56750  1.0 1.0
   78    74    77    85  -0.07550 -1.0 2.0
   78    74    77    85   0.20000  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    74   0.86500  1.0 1.0
   72    67    69    74  -0.17500 -1.0 2.0
   72    67    69    74   0.20800  1.0 3.0
   57    52    55    56   0.15000  1.0 3.0
   57    52    55    67   0.56750  1.0 1.0
   57    52    55    67  -0.07550 -1.0 2.0
   57    52    55    67   0.20000  1.0 3.0
   57    52    55    77   0.56750  1.0 1.0
   57    52    55    77  -0.07550 -1.0 2.0
   57    52    55    77   0.20000  1.0 3.0
   57    52    61    62  -0.11600  1.0 1.0
   57    52    61    62  -0.09450 -1.0 2.0
   57    52    61    62   0.21250  1.0 3.0
   61    52    55    56   0.23400  1.0 3.0
   61    52    55    67   0.86500  1.0 1.0
   61    52    55    67  -0.17500 -1.0 2.0
   61    52    55    67   0.20800  1.0 3.0
   61    52    55    77   0.86500  1.0 1.0
   61    52    55    77  -0.17500 -1.0 2.0
   61    52    55    77   0.20800  1.0 3.0
   61    52    57    58   0.23400  1.0 3.0
   61    52    57    59   0.23400  1.0 3.0
   61    52    57    60   0.23400  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    51    53    54   3.00000 -1.0 2.0
   40    51    53    63   1.63150  1.0 1.0
   40    51    53    63   2.92000 -1.0 2.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    50   0.15000  1.0 3.0
   43    40    51    53  -0.25900  1.0 1.0
   43    40    51    53  -0.47000 -1.0 2.0
   43    40    51    53   0.11750  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   47    40    51    53  -0.25900  1.0 1.0
   47    40    51    53  -0.47000 -1.0 2.0
   47    40    51    53   0.11750  1.0 3.0
   51    40    43    44   0.23400  1.0 3.0
   51    40    43    45   0.23400  1.0 3.0
   51    40    43    46   0.23400  1.0 3.0
   51    40    47    48   0.23400  1.0 3.0
   51    40    47    49   0.23400  1.0 3.0
   51    40    47    50   0.23400  1.0 3.0
   51    53    63    64   0.00000  1.0 1.0
   51    53    63    65   0.00000  1.0 1.0
   51    53    63    66   0.00000  1.0 1.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   54    53    63    66   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   52    42    41    38  15.00000 -1.0 2.0
   82    90    89    91   1.10000 -1.0 2.0
   92   111    91    89   1.10000 -1.0 2.0
   92    95    94    97   1.10000 -1.0 2.0
  104   106    97    94   1.10000 -1.0 2.0
   97   111   104   105  10.50000 -1.0 2.0
   96   108    98    99  10.50000 -1.0 2.0
   51    63    53    54  10.50000 -1.0 2.0
END
