* LIGAND DATABASE FILE (OPLS2005)
*
001     114   114    211    316     628
    1     0 S   NP   _N1_     1    31.89472    94.89659    -7.58002
    2     1 S   H    _HN1     2     1.02785    18.86926   -30.11081
    3     1 S   H    _H1_     3     1.02927   124.11041     5.54948
    4     1 S   H    _H2_     4     1.02877    91.80102   117.70477
    5     1 S   CT   _CA1     5     1.50057   110.24452  -129.36792
    6     5 S   HC   _HA1     6     1.09416   105.29940   -39.34383
    7     5 S   CO3  _C1_     7     1.53820   111.82707  -159.04346
    8     7 S   O2Z  _O11     8     1.26335   115.21760   -61.77475
    9     7 S   O2Z  _O12     9     1.26252   114.80630   117.12869
   10     5 S   CT   _CB1    10     1.52983   107.46103    77.61246
   11    10 S   HC   HB11    11     1.09819   109.40297   -52.43056
   12    10 S   HC   HB12    12     1.09813   110.51157    64.10906
   13    10 S   CT   _CG1    13     1.53031   112.42630  -173.54648
   14    13 S   HC   HG11    14     1.09498   110.11429   -57.93407
   15    13 S   HC   HG12    15     1.09603   110.39255    61.20625
   16    13 S   C    _CD1    16     1.51734   111.62061  -178.73669
   17    16 S   O    _OE1    17     1.22787   122.93323   -21.58101
   18    16 S   N    _N2_    18     1.38561   112.07336   159.09278
   19    18 S   H    _HN2    19     1.01617   119.01954     1.95835
   20    18 S   CT1  _CA2    20     1.46279   123.19789  -176.62177
   21    20 S   HC   _HA2    21     1.09701   109.19370   -14.18178
   22    20 S   C    _C2_    22     1.53337   108.11710  -130.11871
   23    22 S   O    _O2_    23     1.23018   122.33304  -148.87236
   24    20 S   CT   _CB2    32     1.53833   112.02618   107.73501
   25    24 S   HC   HB21    33     1.09375   109.56534    64.96646
   26    24 S   HC   HB22    34     1.09527   109.94580  -177.33604
   27    22 S   N    _N3_    24     1.38372   113.46722    38.13290
   28    27 S   H    _HN3    25     1.01660   119.41161    -2.53559
   29    24 S   S    _SG2    35     1.83194   111.96423   -57.35609
   30    27 S   CT   _CA3    26     1.45264   123.18909   178.50852
   31    30 S   HC   HA31    27     1.09541   107.64172   -62.71872
   32    30 S   HC   HA32    28     1.09568   107.79764    53.70789
   33    29 S   CT   _C8_    36     1.85560   101.30772   156.74129
   34    33 S   HC   _H5_    37     1.09715   103.27558   179.94405
   35    30 S   CO3  _C3_    29     1.52943   114.12491   175.63004
   36    35 S   O2Z  _O31    30     1.26357   116.04567     2.96333
   37    35 S   O2Z  _O32    31     1.26413   114.42049  -177.02678
   38    33 S   CT   _C5_    38     1.57203   111.63062    65.60924
   39    38 S   HC   _H3_    39     1.09939   107.86013   -64.95455
   40    33 S   CT   _C9_    52     1.56360   113.97791   -64.12504
   41    40 S   HC   _H6_    53     1.09512   107.83073    94.03940
   42    38 S   CT   _C4_    40     1.54428   112.40607    51.42947
   43    42 S   HC   _H11    41     1.09501   111.28238    52.36810
   44    42 S   HC   _H12    42     1.09415   111.65858   -68.41434
   45    42 S   HC   _H13    43     1.09487   111.63007   173.04619
   46    38 S   CT   _C6_    44     1.55360   114.22467   177.81995
   47    46 S   HC   _H4_    45     1.09337   109.91844    56.25853
   48    40 S   CT   _C10    54     1.54089   117.22701   -28.73288
   49    48 S   HC   _H18    55     1.09846   108.92867   -53.68157
   50    48 S   HC   _H19    56     1.09075   109.60706    62.67301
   51    40 S   OH   _O41   113     1.43222   108.81258  -150.24845
   52    51 S   HO   _H46   114     0.97303   107.79772    66.83852
   53    46 S   CT   _C7_    46     1.52551   114.68925   -67.75407
   54    53 S   HC   _H14    47     1.09495   111.45089   -65.76913
   55    53 S   HC   _H15    48     1.09243   112.34675    56.69342
   56    53 S   HC   _H16    49     1.09593   109.95222   176.99847
   57    46 S   OH   _O33    50     1.43204   108.55265   171.10199
   58    57 S   HO   _H17    51     0.97253   107.57991  -177.58249
   59    48 S   CT   _C11    57     1.55169   115.79872  -174.50945
   60    59 S   HC   _H7_    58     1.09767   108.35135    74.38320
   61    59 S   CT   _C12    59     1.54145   109.17034  -168.72333
   62    61 S   HC   _H20    60     1.09635   111.64290  -170.57500
   63    61 S   HC   _H21    61     1.09436   110.14773   -51.81687
   64    61 S   OS   _O34    62     1.43111   111.06274    67.29597
   65    64 S   CT   _C13    63     1.43537   113.01283    63.04029
   66    65 S   HC   _H8_    64     1.09712   109.13170    60.71887
   67    65 S   CT   _C14    65     1.53885   109.81803   -60.08847
   68    67 S   HC   _H9_    66     1.09632   109.16976   -65.83780
   69    65 S   CT   _C16    73     1.54100   108.05289   179.51584
   70    69 S   HC   _H24    74     1.09720   110.61382   169.75433
   71    69 S   HC   _H25    75     1.09785   108.89376    53.77095
   72    59 S   CT   _C15    67     1.53803   114.27713   -47.39562
   73    72 S   HC   _H10    68     1.09393   112.41219    55.03928
   74    67 S   OH   _O36    71     1.42525   109.99797   176.61951
   75    74 S   HO   _H23    72     0.97222   107.70334  -175.20221
   76    69 S   CM   _C17    76     1.51904   113.85940   -68.63044
   77    72 S   OH   _O35    69     1.43323   108.77160   171.60328
   78    77 S   HO   _H22    70     0.97261   107.46493   -61.46514
   79    76 S   CM   _C18    77     1.34618   119.65749   102.48207
   80    79 S   HC   _H26    78     1.08703   119.72077    -3.62396
   81    76 S   CT   _C29   109     1.50483   114.96871   -79.47927
   82    81 S   HC   _H43   110     1.09453   110.09487   -77.60184
   83    81 S   HC   _H44   111     1.09249   113.08492   160.49083
   84    81 S   HC   _H45   112     1.09470   110.78258    41.79978
   85    79 S   CO4  _C19    79     1.48110   125.05185   173.46745
   86    85 S   O    _O37    80     1.22003   125.75892   -22.88199
   87    85 S   OS   _O38    81     1.36025   107.57153   158.73680
   88    87 S   CT   _C20    82     1.43621   115.24708   174.88952
   89    88 S   HC   _H27    83     1.09631   110.41817    50.14918
   90    88 S   HC   _H28    84     1.09581   108.27342   -69.34874
   91    88 S   CT   _C21    85     1.52486   109.06314   171.65979
   92    91 S   HC   _H29    86     1.09613   109.10168   169.02854
   93    91 S   HC   _H30    87     1.09673   109.43656    51.24768
   94    91 S   CT   _C22    88     1.53130   111.88435   -69.89120
   95    94 S   HC   _H31    89     1.09626   109.96741    57.06461
   96    94 S   HC   _H32    90     1.09680   109.43917   -60.27456
   97    94 S   CT   _C23    91     1.52940   111.12695   178.53086
   98    97 S   HC   _H33    92     1.09692   109.30780   -60.53176
   99    97 S   HC   _H34    93     1.09679   109.75872    56.65750
  100    97 S   CT   _C24    94     1.52933   111.48002   178.05398
  101   100 S   HC   _H35    95     1.09675   109.61672   -62.24690
  102   100 S   HC   _H36    96     1.09601   109.75672    54.95116
  103   100 S   CT   _C25    97     1.52926   111.13190   176.38480
  104   103 S   HC   _H37    98     1.09673   109.57312   -56.02775
  105   103 S   HC   _H38    99     1.09678   109.56609    61.17616
  106   103 S   CT   _C26   100     1.52908   111.39393  -177.27236
  107   106 S   HC   _H39   101     1.09695   109.54486    57.34701
  108   106 S   HC   _H40   102     1.09695   109.61443   -59.61785
  109   106 S   CT   _C27   103     1.52526   111.30311   178.78905
  110   109 S   HC   _H41   104     1.09710   109.43953    59.61920
  111   109 S   HC   _H42   105     1.09721   109.45789   -57.70224
  112   109 S   CO3  _C28   106     1.53194   115.24168  -178.87970
  113   112 S   O2Z  _O40   107     1.26510   114.01614  -178.86719
  114   112 S   O2Z  _O39   108     1.26118   116.63427     1.32957
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  17   9  12   6   7   3   2   1   7   6  14
   6   5   2   1   5   3   2   1   1   1  13   8  10   4   3  10
  14   8  11   6  12   4   3   5   3   2   1   9   1   1   9   4
   4   2   1   1   6   2   7   9   5   4   9   5   4   9   5   4
   9   5   4   9   5   4   9   5   4   8   5   4   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    46    40    41    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    46    47    53    57    40    41    48    49    50    59    51    52  
   38    39    42    46    40    41    48    51  
   36    37  
   37  
    0  
   39    42    43    44    45    46    47    53    54    55    56    57    58    40    41    48    51  
   42    43    44    45    46    47    53    57    40  
   41    48    49    50    59    60    61    72    51    52    42    46  
   48    49    50    59    51    52  
   43    44    45    46    47    53    57  
   44    45    46  
   45    46  
   46  
   47    53    54    55    56    57    58  
   53    54    55    56    57    58  
   49    50    59    60    61    62    63    64    67    72    73    77    51    52  
   50    59    60    61    72    51  
   59    60    61    72    51  
   52    59  
    0  
   54    55    56    57    58  
   55    56    57  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65    67    68    72    73    77    78    74  
   61    62    63    64    67    72    73    77  
   62    63    64    65    66    67    72    73    77    69  
   63    64    65    72  
   64    65    72  
   65    66    67    68    72    74    69    70    71    76  
   66    67    68    72    73    77    74    75    69    70    71    76    79    81  
   67    68    72    74    69    70    71    76  
   68    72    73    77    78    74    75    69    70    71    76  
   72    73    77    74    75    69  
   70    71    76    79    80    85    81    82    83    84    72    74  
   71    76    79    81  
   76    79    81  
   73    77    78    74    75  
   77    78    74  
   75    77  
    0  
   79    80    85    86    87    81    82    83    84  
   78  
    0  
   80    85    86    87    88    81    82    83    84  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88  
   88    89    90    91    92    93    94  
   89    90    91    92    93    94    95    96    97  
   90    91    92    93    94  
   91    92    93    94  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109   110   111   112   113   114  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   553.000  0.945
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    72   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   320.000  1.410
   72    73   340.000  1.090
   72    77   320.000  1.410
   77    78   553.000  0.945
   74    75   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   317.000  1.510
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    85   320.000  1.462
   85    86   570.000  1.229
   85    87   214.000  1.327
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   656.000  1.250
  112   114   656.000  1.250
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    58.35000  112.70000
   33    40    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   38    46    47    37.50000  110.70000
   38    46    53    58.35000  112.70000
   38    46    57    50.00000  109.50000
   42    38    39    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    38    39    37.50000  110.70000
   46    38    42    58.35000  112.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    55.00000  108.50000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    35.00000  109.50000
   57    46    53    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    59    58.35000  112.70000
   40    51    52    55.00000  108.50000
   48    40    41    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   48    59    72    58.35000  112.70000
   50    48    49    33.00000  107.80000
   59    48    49    37.50000  110.70000
   59    48    50    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    50.00000  109.50000
   59    72    67    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    77    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   64    65    69    50.00000  109.50000
   65    67    68    37.50000  110.70000
   65    67    72    58.35000  112.70000
   65    67    74    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    76    70.00000  112.02700
   67    65    66    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    77    50.00000  109.50000
   67    74    75    55.00000  108.50000
   72    59    60    37.50000  110.70000
   72    59    61    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    77    78    55.00000  108.50000
   77    72    73    35.00000  109.50000
   74    67    68    35.00000  109.50000
   74    67    72    50.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    58.35000  112.70000
   69    76    79    70.00000  124.00000
   69    76    81    65.00000  117.92700
   71    69    70    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    71    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    85    65.00000  118.96000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    85    86    80.00000  123.72100
   79    85    87    90.00000  111.29400
   85    79    80    40.00000  117.72500
   85    87    88    83.00000  116.90000
   87    85    86    83.00000  123.40000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    50.00000  109.50000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    70.00000  109.69300
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    70.00000  117.00000
  109   112   114    70.00000  117.00000
  111   109   110    33.00000  107.80000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
  114   112   113    80.00000  126.00000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   51    40    41    35.00000  109.50000
   51    40    48    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   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    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    53   0.56750  1.0 1.0
   33    38    46    53  -0.07550 -1.0 2.0
   33    38    46    53   0.20000  1.0 3.0
   33    38    46    57   0.86500  1.0 1.0
   33    38    46    57  -0.17500 -1.0 2.0
   33    38    46    57   0.20800  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   33    40    48    59   0.56750  1.0 1.0
   33    40    48    59  -0.07550 -1.0 2.0
   33    40    48    59   0.20000  1.0 3.0
   33    40    51    52  -0.11600  1.0 1.0
   33    40    51    52  -0.09450 -1.0 2.0
   33    40    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    48   0.15000  1.0 3.0
   34    33    40    51   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    48   0.56750  1.0 1.0
   38    33    40    48  -0.07550 -1.0 2.0
   38    33    40    48   0.20000  1.0 3.0
   38    33    40    51   0.86500  1.0 1.0
   38    33    40    51  -0.17500 -1.0 2.0
   38    33    40    51   0.20800  1.0 3.0
   38    46    53    54   0.15000  1.0 3.0
   38    46    53    55   0.15000  1.0 3.0
   38    46    53    56   0.15000  1.0 3.0
   38    46    57    58  -0.11600  1.0 1.0
   38    46    57    58  -0.09450 -1.0 2.0
   38    46    57    58   0.21250  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    53   0.15000  1.0 3.0
   39    38    46    57   0.23400  1.0 3.0
   42    38    46    47   0.15000  1.0 3.0
   42    38    46    53   0.56750  1.0 1.0
   42    38    46    53  -0.07550 -1.0 2.0
   42    38    46    53   0.20000  1.0 3.0
   42    38    46    57   0.86500  1.0 1.0
   42    38    46    57  -0.17500 -1.0 2.0
   42    38    46    57   0.20800  1.0 3.0
   46    38    42    43   0.15000  1.0 3.0
   46    38    42    44   0.15000  1.0 3.0
   46    38    42    45   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.19450  1.0 3.0
   53    46    57    58  -0.11600  1.0 1.0
   53    46    57    58  -0.09450 -1.0 2.0
   53    46    57    58   0.21250  1.0 3.0
   57    46    53    54   0.23400  1.0 3.0
   57    46    53    55   0.23400  1.0 3.0
   57    46    53    56   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
   40    48    59    60   0.15000  1.0 3.0
   40    48    59    61   0.56750  1.0 1.0
   40    48    59    61  -0.07550 -1.0 2.0
   40    48    59    61   0.20000  1.0 3.0
   40    48    59    72   0.56750  1.0 1.0
   40    48    59    72  -0.07550 -1.0 2.0
   40    48    59    72   0.20000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    59   0.15000  1.0 3.0
   41    40    51    52   0.19450  1.0 3.0
   48    40    51    52  -0.11600  1.0 1.0
   48    40    51    52  -0.09450 -1.0 2.0
   48    40    51    52   0.21250  1.0 3.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.15000  1.0 3.0
   48    59    61    64   0.62750  1.0 1.0
   48    59    61    64  -0.30950 -1.0 2.0
   48    59    61    64   0.27300  1.0 3.0
   48    59    72    67   0.56750  1.0 1.0
   48    59    72    67  -0.07550 -1.0 2.0
   48    59    72    67   0.20000  1.0 3.0
   48    59    72    73   0.15000  1.0 3.0
   48    59    72    77   0.86500  1.0 1.0
   48    59    72    77  -0.17500 -1.0 2.0
   48    59    72    77   0.20800  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   49    48    59    72   0.15000  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.15000  1.0 3.0
   50    48    59    72   0.15000  1.0 3.0
   59    61    64    65   0.06250  1.0 1.0
   59    61    64    65  -0.01100 -1.0 2.0
   59    61    64    65   0.28050  1.0 3.0
   59    72    77    78  -0.11600  1.0 1.0
   59    72    77    78  -0.09450 -1.0 2.0
   59    72    77    78   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.23400  1.0 3.0
   60    59    72    67   0.15000  1.0 3.0
   60    59    72    73   0.15000  1.0 3.0
   60    59    72    77   0.23400  1.0 3.0
   61    59    72    67   0.56750  1.0 1.0
   61    59    72    67  -0.07550 -1.0 2.0
   61    59    72    67   0.20000  1.0 3.0
   61    59    72    73   0.15000  1.0 3.0
   61    59    72    77   0.86500  1.0 1.0
   61    59    72    77  -0.17500 -1.0 2.0
   61    59    72    77   0.20800  1.0 3.0
   61    64    65    66   0.37050  1.0 3.0
   61    64   -65    67   0.06250  1.0 1.0
   61    64   -65    67  -0.01100 -1.0 2.0
   61    64   -65    67   0.28050  1.0 3.0
   61    64    65    69   0.06250  1.0 1.0
   61    64    65    69  -0.01100 -1.0 2.0
   61    64    65    69   0.28050  1.0 3.0
   62    61    64    65   0.37050  1.0 3.0
   63    61    64    65   0.37050  1.0 3.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    72   0.62750  1.0 1.0
   64    65    67    72  -0.30950 -1.0 2.0
   64    65    67    72   0.27300  1.0 3.0
   64    65    67    74   3.69350  1.0 1.0
   64    65    67    74  -1.82950 -1.0 2.0
   64    65    69    70   0.23400  1.0 3.0
   64    65    69    71   0.23400  1.0 3.0
   64    65    69    76   0.61850  1.0 1.0
   64    65    69    76  -0.22750 -1.0 2.0
   64    65    69    76   0.15300  1.0 3.0
   65    67   -72    59   0.56750  1.0 1.0
   65    67   -72    59  -0.07550 -1.0 2.0
   65    67   -72    59   0.20000  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    77   0.86500  1.0 1.0
   65    67    72    77  -0.17500 -1.0 2.0
   65    67    72    77   0.20800  1.0 3.0
   65    67    74    75  -0.11600  1.0 1.0
   65    67    74    75  -0.09450 -1.0 2.0
   65    67    74    75   0.21250  1.0 3.0
   65    69    76    79   0.09850  1.0 1.0
   65    69    76    79   0.15250 -1.0 2.0
   65    69    76    79  -0.50650  1.0 3.0
   65    69    76    81   0.46850  1.0 1.0
   65    69    76    81   0.08550 -1.0 2.0
   65    69    76    81   0.09800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    67    74   0.23400  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    71   0.15000  1.0 3.0
   67    65    69    76   0.34400  1.0 1.0
   67    65    69    76   0.09450 -1.0 2.0
   67    65    69    76   0.11100  1.0 3.0
   67    72    77    78  -0.11600  1.0 1.0
   67    72    77    78  -0.09450 -1.0 2.0
   67    72    77    78   0.21250  1.0 3.0
   68    67    72    59   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    77   0.23400  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   72    59    61    62   0.15000  1.0 3.0
   72    59    61    63   0.15000  1.0 3.0
   72    59   -61    64   0.62750  1.0 1.0
   72    59   -61    64  -0.30950 -1.0 2.0
   72    59   -61    64   0.27300  1.0 3.0
   72    67    74    75  -0.11600  1.0 1.0
   72    67    74    75  -0.09450 -1.0 2.0
   72    67    74    75   0.21250  1.0 3.0
   73    72    77    78   0.19450  1.0 3.0
   74    67    72    59   0.86500  1.0 1.0
   74    67    72    59  -0.17500 -1.0 2.0
   74    67    72    59   0.20800  1.0 3.0
   74    67    72    73   0.23400  1.0 3.0
   74    67    72    77   3.75450  1.0 1.0
   69    65    67    68   0.15000  1.0 3.0
   69    65    67    72   0.56750  1.0 1.0
   69    65    67    72  -0.07550 -1.0 2.0
   69    65    67    72   0.20000  1.0 3.0
   69    65    67    74   0.86500  1.0 1.0
   69    65    67    74  -0.17500 -1.0 2.0
   69    65    67    74   0.20800  1.0 3.0
   69    76    79    80   7.00000 -1.0 2.0
   69    76    79    85   7.00000 -1.0 2.0
   69    76    81    82   0.34800  1.0 3.0
   69    76    81    83   0.34800  1.0 3.0
   69    76    81    84   0.34800  1.0 3.0
   70    69    76    79   0.00000  1.0 1.0
   70    69    76    81   0.34800  1.0 3.0
   71    69    76    79   0.00000  1.0 1.0
   71    69    76    81   0.34800  1.0 3.0
   76    79    85    86   1.00000 -1.0 2.0
   76    79    85    87  -0.56150  1.0 1.0
   76    79    85    87   2.19150 -1.0 2.0
   79    76    81    82   0.00000  1.0 1.0
   79    76    81    83   0.00000  1.0 1.0
   79    76    81    84   0.00000  1.0 1.0
   79    85    87    88   2.00000 -1.0 2.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    87   1.63100 -1.0 2.0
   85    87    88    89   0.08050  1.0 3.0
   85    87    88    90   0.08050  1.0 3.0
   85    87    88    91  -0.25900  1.0 1.0
   85    87    88    91  -0.47000 -1.0 2.0
   85    87    88    91   0.11750  1.0 3.0
   86    85    87    88   3.00000 -1.0 2.0
   87    88    91    92   0.23400  1.0 3.0
   87    88    91    93   0.23400  1.0 3.0
   87    88    91    94   0.62750  1.0 1.0
   87    88    91    94  -0.30950 -1.0 2.0
   87    88    91    94   0.27300  1.0 3.0
   88    91    94    95   0.15000  1.0 3.0
   88    91    94    96   0.15000  1.0 3.0
   88    91    94    97   0.56750  1.0 1.0
   88    91    94    97  -0.07550 -1.0 2.0
   88    91    94    97   0.20000  1.0 3.0
   89    88    91    92   0.15000  1.0 3.0
   89    88    91    93   0.15000  1.0 3.0
   89    88    91    94   0.15000  1.0 3.0
   90    88    91    92   0.15000  1.0 3.0
   90    88    91    93   0.15000  1.0 3.0
   90    88    91    94   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.15000  1.0 3.0
   91    94    97   100   0.56750  1.0 1.0
   91    94    97   100  -0.07550 -1.0 2.0
   91    94    97   100   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.15000  1.0 3.0
   94    97   100   103   0.56750  1.0 1.0
   94    97   100   103  -0.07550 -1.0 2.0
   94    97   100   103   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   103   104   0.15000  1.0 3.0
   97   100   103   105   0.15000  1.0 3.0
   97   100   103   106   0.56750  1.0 1.0
   97   100   103   106  -0.07550 -1.0 2.0
   97   100   103   106   0.20000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   103   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   103   0.15000  1.0 3.0
  100   103   106   107   0.15000  1.0 3.0
  100   103   106   108   0.15000  1.0 3.0
  100   103   106   109   0.56750  1.0 1.0
  100   103   106   109  -0.07550 -1.0 2.0
  100   103   106   109   0.20000  1.0 3.0
  101   100   103   104   0.15000  1.0 3.0
  101   100   103   105   0.15000  1.0 3.0
  101   100   103   106   0.15000  1.0 3.0
  102   100   103   104   0.15000  1.0 3.0
  102   100   103   105   0.15000  1.0 3.0
  102   100   103   106   0.15000  1.0 3.0
  103   106   109   110   0.15000  1.0 3.0
  103   106   109   111   0.15000  1.0 3.0
  103   106   109   112  -1.63150  1.0 1.0
  103   106   109   112  -0.43550 -1.0 2.0
  103   106   109   112   0.24500  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
  106   109   112   113   0.41150 -1.0 2.0
  106   109   112   114   0.41150 -1.0 2.0
  107   106   109   110   0.15000  1.0 3.0
  107   106   109   111   0.15000  1.0 3.0
  107   106   109   112  -0.11250  1.0 3.0
  108   106   109   110   0.15000  1.0 3.0
  108   106   109   111   0.15000  1.0 3.0
  108   106   109   112  -0.11250  1.0 3.0
  110   109   112   113   0.00000  1.0 1.0
  110   109   112   114   0.00000  1.0 1.0
  111   109   112   113   0.00000  1.0 1.0
  111   109   112   114   0.00000  1.0 1.0
   81    76    79    80   7.00000 -1.0 2.0
   81    76    79    85   7.00000 -1.0 2.0
   51    40    48    49   0.23400  1.0 3.0
   51    40    48    50   0.23400  1.0 3.0
   51    40    48    59   0.86500  1.0 1.0
   51    40    48    59  -0.17500 -1.0 2.0
   51    40    48    59   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   69    81    76    79  15.00000 -1.0 2.0
   85    80    79    76  15.00000 -1.0 2.0
   79    87    85    86  10.50000 -1.0 2.0
  113   109   112   114  10.50000 -1.0 2.0
END
