* LIGAND DATABASE FILE (OPLS2005)
*
001     110   112    208    313     610
    1     0 S   NP   _N1_     1    28.24257    96.59716   -20.75204
    2     1 S   H    _HN1     2     1.02949    73.57869    36.72695
    3     1 S   H    _H1_     3     1.02828    49.41308   167.70108
    4     1 S   H    _H2_     4     1.02784    85.39401   -73.95436
    5     1 S   CT   _CA1     5     1.50110   158.28929   140.75071
    6     5 S   HC   _HA1     6     1.09573   105.20283    80.81833
    7     5 S   CO3  _C1_     7     1.53787   112.45374   -39.42990
    8     7 S   O2Z  _O11     8     1.26371   115.00313   -42.79800
    9     7 S   O2Z  _O12     9     1.26239   114.95185   136.34877
   10     5 S   CT   _CB1    10     1.53084   107.42496  -161.19528
   11    10 S   HC   HB11    11     1.09832   109.38064   -49.78929
   12    10 S   HC   HB12    12     1.09813   110.44453    66.82091
   13    10 S   CT   _CG1    13     1.52989   112.59889  -170.76975
   14    13 S   HC   HG11    14     1.09583   110.62062   -65.37549
   15    13 S   HC   HG12    15     1.09670   109.79054    53.84911
   16    13 S   C    _CD1    16     1.51804   112.24819   174.30963
   17    16 S   O    _OE1    17     1.22732   123.27868     6.38408
   18    16 S   N    _N2_    18     1.38644   111.64004  -173.63829
   19    18 S   H    _HN2    19     1.01578   118.98501     1.76214
   20    18 S   CT1  _CA2    20     1.46245   123.47414   177.78822
   21    20 S   HC   _HA2    21     1.09738   109.27273     4.46116
   22    20 S   C    _C2_    22     1.53633   108.98664  -111.02316
   23    22 S   O    _O2_    23     1.23065   122.27048  -150.95685
   24    20 S   CT   _CB2    32     1.53339   111.41189   126.36504
   25    24 S   HC   HB21    33     1.09574   109.94793    55.63645
   26    24 S   HC   HB22    34     1.09463   110.06890   174.85273
   27    22 S   N    _N3_    24     1.38330   113.84600    36.63271
   28    27 S   H    _HN3    25     1.01561   119.56925    -3.49939
   29    24 S   S    _SG2    35     1.82919   111.34984   -65.26581
   30    27 S   CT   _CA3    26     1.45278   123.22683   177.06942
   31    30 S   HC   HA31    27     1.09549   107.52038   -64.49676
   32    30 S   HC   HA32    28     1.09557   107.98488    51.95007
   33    29 S   CT   _C26    36     1.83773    99.72453   170.56495
   34    33 S   HC   _H8_    37     1.09512   105.56784   -56.07102
   35    30 S   CO3  _C3_    29     1.52960   114.06361   173.94424
   36    35 S   O2Z  _O31    30     1.26384   116.06396    -0.47724
   37    35 S   O2Z  _O32    31     1.26430   114.41327   179.58410
   38    33 S   CM   _C24    38     1.53573   111.76297    65.28242
   39    33 S   CT   _C27   107     1.53061   108.86904  -169.47544
   40    39 S   HC   _H32   108     1.09550   112.73101   -57.40453
   41    39 S   HC   _H33   109     1.09600   110.58133  -178.11903
   42    39 S   HC   _H34   110     1.09640   110.82657    63.20485
   43    38 S   CMA  _C23    39     1.36890   121.94023  -116.13197
   44    43 S   OM   _O40    40     1.26969   125.07540    -1.26114
   45    38 S   CT   _C25   103     1.51985   115.33675    64.77412
   46    45 S   HC   _H29   104     1.09397   110.88620   -62.02278
   47    45 S   HC   _H30   105     1.09298   113.95175   177.77156
   48    45 S   HC   _H31   106     1.09412   110.54771    58.47989
   49    43 S   OS   _O39    41     1.41910   111.55507   179.53606
   50    49 S   CT   _C14    42     1.43031   116.62037  -153.80687
   51    50 S   HC   _H6_    43     1.09808   112.47650    33.13487
   52    50 S   CM   _C15    44     1.50661   110.05658   153.91622
   53    52 S   CM   _C16    45     1.34831   112.29801   132.54565
   54    52 S   CT   _C22    99     1.49403   118.85585   -49.70501
   55    54 S   HC   _H26   100     1.09429   110.22142   -68.38199
   56    54 S   HC   _H27   101     1.09239   112.90432   170.08289
   57    54 S   HC   _H28   102     1.09414   110.68973    51.35094
   58    53 S   CT   _C12    46     1.51364   110.98100    -2.74823
   59    58 S   HC   _H5_    47     1.09732   107.41115   101.25411
   60    53 S   CT   _C17    58     1.50518   126.97547   174.63268
   61    60 S   HC   _H7_    59     1.09790   107.39235    78.98126
   62    50 S   CT   _C13    48     1.52621   110.14756   -93.88715
   63    62 S   HC   _H19    49     1.09649   110.52803   101.10301
   64    62 S   HC   _H20    50     1.09597   110.43714   -15.95199
   65    58 S   CT   _C11    51     1.55708   117.60486  -135.57161
   66    60 S   OS   _O36    60     1.44404   110.47370   -36.56285
   67    65 S   CT   _C10    52     1.55133   113.48786   -76.62381
   68    67 S   HC   _H17    53     1.09600   109.17710   -59.94179
   69    67 S   HC   _H18    54     1.09923   107.28648  -172.32427
   70    66 S   CO4  _C20    61     1.36647   109.97600  -156.07008
   71    70 S   O    _O35    62     1.22139   124.37654  -173.09863
   72    65 S   CT   _C28    88     1.54205   112.27281    49.81076
   73    72 S   HC   _H35    89     1.09524   111.53327    64.13623
   74    72 S   HC   _H36    90     1.09148   113.55534   -57.69554
   75    72 S   HC   _H37    91     1.09632   110.23677  -179.24127
   76    65 S   OS   _O41    92     1.47475   109.93872   163.10004
   77    67 S   CT   _C9_    55     1.53854   119.42294    64.06613
   78    77 S   HC   _H4_    56     1.09887   105.95434  -175.45727
   79    82 S   CT   _C19    63     1.54724   114.72634  -170.44727
   80    76 S   CO4  _C29    93     1.36075   122.91816    59.25609
   81    80 S   O    _O42    94     1.22228   127.06586     0.05595
   82    77 S   CT   _C18    57     1.54479   114.83281   -58.30797
   83    79 S   CT   _C21    64     1.52397   115.41367    80.57391
   84    83 S   HC   _H21    65     1.09495   110.83552   -60.65915
   85    83 S   HC   _H22    66     1.09646   110.84774  -178.61464
   86    83 S   HC   _H23    67     1.09465   112.40248    61.39909
   87    79 S   OH   _O37    68     1.42186   112.43100   -46.07350
   88    87 S   HO   _H24    69     0.97328   108.31527  -177.41533
   89    77 S   OS   _O34    72     1.44173   110.21933    67.32530
   90    80 S   CT   _C30    95     1.49882   109.19168  -179.62361
   91    90 S   HC   _H38    96     1.09294   109.85190   -60.12924
   92    90 S   HC   _H39    97     1.09380   109.37536  -179.12553
   93    90 S   HC   _H40    98     1.09293   109.79827    61.79653
   94    82 S   OH   _O38    70     1.43594   109.64024   -48.80920
   95    94 S   HO   _H25    71     0.97257   108.56055   -46.91387
   96    89 S   CO4  _C8_    73     1.36414   117.88795    85.45048
   97    96 S   O    _O33    74     1.22397   125.95309    -3.36249
   98    96 S   CT   _C6_    75     1.51846   109.69681   176.93663
   99    98 S   HC   _H3_    76     1.09749   109.05023   -11.79385
  100    98 S   CT   _C7_    77     1.52575   108.65449   106.38055
  101   100 S   HC   _H14    78     1.09570   111.40151    61.32522
  102   100 S   HC   _H15    79     1.09490   110.89172  -178.16741
  103   100 S   HC   _H16    80     1.09473   110.87269   -58.32525
  104    98 S   CT   _C5_    81     1.53517   110.94284  -131.37487
  105   104 S   HC   _H12    82     1.09688   109.34594  -173.48073
  106   104 S   HC   _H13    83     1.09687   110.54548   -56.10414
  107   104 S   CT   _C4_    84     1.52311   112.68223    66.01631
  108   107 S   HC   _H9_    85     1.09423   111.44134   -63.73666
  109   107 S   HC   _H10    86     1.09467   110.07864   176.77499
  110   107 S   HC   _H11    87     1.09460   111.01233    57.24288
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  15  21   6   2   1   1  19   8  16   6   6   2   1
  15   8  15   7   6  11   4   6   3   2   1   7  11   5  10   5
   4  10   6   3   2   1   2   1   7   3   2   1   1   1   1  11
   4  12   8   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    62    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    58    62    63    64    54  
   51    52    53    58    59    62    63    64    65    60    54    55    56    57  
   52    53    58    62    63    64    54  
   53    58    59    62    63    64    65    82    60    61    66    54    55    56    57  
   58    59    62    63    64    65    67    77    82    60    61    66    70    79    94    72    76    54    55    56    57  
   55    56    57    58    60    62  
   56    57  
   57  
    0  
   59    62    63    64    65    67    68    69    77    82    60    61    66    72    73    74    75    76    80  
   62    63    64    65    67    60    72    76  
   61    66    70    71    79    83    87    94    95    89    62    65    67    77    78    82  
   66    70    79    94    77    82  
   63    64    65    67    72    76  
   64    65  
   65  
   67    68    69    77    78    82    89    72    73    74    75    76    80    81    90  
   70    71    79    83    87    94    77    82  
   68    69    77    78    82    79    94    89    96    72    73    74    75    76    80  
   69    77    78    82    89    72    76  
   77    78    82    89    72    76  
   71    79    83    84    85    86    87    88    94    77    82  
   79    83    87    82  
   73    74    75    76    80    77  
   74    75    76  
   75    76  
   76  
   80    81    90    91    92    93    77  
   78    82    79    83    87    94    95    89    96    97    98  
   82    79    94    89    96  
   83    84    85    86    87    88    94    95    89    82  
   81    90    91    92    93  
   90    91    92    93  
   83    84    85    86    87    88    94    95    89    96  
   84    85    86    87    88    94  
   85    86    87  
   86    87  
   87  
   88    94  
    0  
   96    97    98    99   100   104    94  
   91    92    93  
   92    93  
   93  
    0  
   95  
    0  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   104  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   104   105   106   107  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107   108   109   110  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    62   268.000  1.529
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    58   317.000  1.510
   53    60   317.000  1.510
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   65    67   268.000  1.529
   65    72   268.000  1.529
   65    76   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    89   320.000  1.410
   82    60   268.000  1.529
   82    79   268.000  1.529
   82    94   320.000  1.410
   60    61   340.000  1.090
   60    66   320.000  1.410
   66    70   214.000  1.327
   70    71   570.000  1.229
   70    79   317.000  1.522
   79    83   268.000  1.529
   79    87   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   553.000  0.945
   94    95   553.000  0.945
   89    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   268.000  1.529
   98   104   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    80   214.000  1.327
   80    81   570.000  1.229
   80    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    62    50.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    54    65.00000  117.92700
   50    62    58    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    62    64    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    53    58    70.00000  124.00000
   52    53    60    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    62    70.00000  112.02700
   53    58    65    70.00000  112.02700
   53    60    82    70.00000  112.02700
   53    60    61    35.00000  109.50000
   53    60    66    85.00000  110.90400
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    65    67    58.35000  112.70000
   58    65    72    58.35000  112.70000
   58    65    76    50.00000  109.50000
   62    50    51    37.50000  110.70000
   62    50    52    70.00000  112.02700
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    77    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    80    83.00000  116.90000
   67    77    78    37.50000  110.70000
   67    77    82    58.35000  112.70000
   67    77    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    82    60    58.35000  112.70000
   77    82    79    58.35000  112.70000
   77    82    94    50.00000  109.50000
   77    89    96    83.00000  116.90000
   82    77    78    37.50000  110.70000
   82    60    61    37.50000  110.70000
   82    60    66    50.00000  109.50000
   82    79    70    63.00000  111.10000
   82    79    83    58.35000  112.70000
   82    79    87    50.00000  109.50000
   82    94    95    55.00000  108.50000
   60    53    58    65.00000  117.92700
   60    66    70    83.00000  116.90000
   66    60    61    35.00000  109.50000
   66    70    71    83.00000  123.40000
   66    70    79    81.00000  111.40000
   70    79    83    63.00000  111.10000
   70    79    87    90.00000  109.61100
   79    82    60    58.35000  112.70000
   79    70    71    80.00000  120.40000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    86    37.50000  110.70000
   79    87    88    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    79    83    50.00000  109.50000
   94    82    60    50.00000  109.50000
   94    82    79    50.00000  109.50000
   89    77    78    35.00000  109.50000
   89    77    82    50.00000  109.50000
   89    96    97    83.00000  123.40000
   89    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    63.00000  111.10000
   96    98   104    63.00000  111.10000
   98    96    97    80.00000  120.40000
   98   100   101    37.50000  110.70000
   98   100   102    37.50000  110.70000
   98   100   103    37.50000  110.70000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    58.35000  112.70000
  100    98    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    58.35000  112.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   72    65    67    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    67    50.00000  109.50000
   76    65    72    50.00000  109.50000
   76    80    81    83.00000  123.40000
   76    80    90    81.00000  111.40000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90    93    35.00000  109.50000
   90    80    81    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   54    52    53    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    62  -0.46850  1.0 1.0
   43    49    50    62   0.09300 -1.0 2.0
   43    49    50    62  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.39000  1.0 1.0
   49    50    52    53  -0.05800 -1.0 2.0
   49    50    52    53  -0.55150  1.0 3.0
   49    50    52    54   0.09700  1.0 1.0
   49    50    52    54   0.15600 -1.0 2.0
   49    50    52    54  -0.50800  1.0 3.0
   49    50    62    58   0.62750  1.0 1.0
   49    50    62    58  -0.30950 -1.0 2.0
   49    50    62    58   0.27300  1.0 3.0
   49    50    62    63   0.23400  1.0 3.0
   49    50    62    64   0.23400  1.0 3.0
   50    52   -53    58   7.00000 -1.0 2.0
   50    52    53    60   7.00000 -1.0 2.0
   50    52    54    55   0.34800  1.0 3.0
   50    52    54    56   0.34800  1.0 3.0
   50    52    54    57   0.34800  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    62    58   0.15000  1.0 3.0
   51    50    62    63   0.15000  1.0 3.0
   51    50    62    64   0.15000  1.0 3.0
   52    50   -62    58   0.34400  1.0 1.0
   52    50   -62    58   0.09450 -1.0 2.0
   52    50   -62    58   0.11100  1.0 3.0
   52    50    62    63   0.15000  1.0 3.0
   52    50    62    64   0.15000  1.0 3.0
   52    53    58    59   0.00000  1.0 1.0
   52    53   -58    62   0.09850  1.0 1.0
   52    53   -58    62   0.15250 -1.0 2.0
   52    53   -58    62  -0.50650  1.0 3.0
   52    53    58    65   0.09850  1.0 1.0
   52    53    58    65   0.15250 -1.0 2.0
   52    53    58    65  -0.50650  1.0 3.0
   52    53    60    82   0.09850  1.0 1.0
   52    53    60    82   0.15250 -1.0 2.0
   52    53    60    82  -0.50650  1.0 3.0
   52    53    60    61   0.00000  1.0 1.0
   52    53    60    66   0.39000  1.0 1.0
   52    53    60    66  -0.05800 -1.0 2.0
   52    53    60    66  -0.55150  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    58   -62    50   0.34400  1.0 1.0
   53    58   -62    50   0.09450 -1.0 2.0
   53    58   -62    50   0.11100  1.0 3.0
   53    58    62    63   0.15000  1.0 3.0
   53    58    62    64   0.15000  1.0 3.0
   53    58    65    67   0.34400  1.0 1.0
   53    58    65    67   0.09450 -1.0 2.0
   53    58    65    67   0.11100  1.0 3.0
   53    58    65    72   0.34400  1.0 1.0
   53    58    65    72   0.09450 -1.0 2.0
   53    58    65    72   0.11100  1.0 3.0
   53    58    65    76   0.61850  1.0 1.0
   53    58    65    76  -0.22750 -1.0 2.0
   53    58    65    76   0.15300  1.0 3.0
   53    60    66    70  -0.82050  1.0 1.0
   53    60    66    70   0.00600 -1.0 2.0
   53    60    66    70   0.04400  1.0 3.0
   58    53    60    82   0.46850  1.0 1.0
   58    53    60    82   0.08550 -1.0 2.0
   58    53    60    82   0.09800  1.0 3.0
   58    53    60    61   0.34800  1.0 3.0
   58    53    60    66   0.09700  1.0 1.0
   58    53    60    66   0.15600 -1.0 2.0
   58    53    60    66  -0.50800  1.0 3.0
   58    65    67    68   0.15000  1.0 3.0
   58    65    67    69   0.15000  1.0 3.0
   58    65    67    77   0.56750  1.0 1.0
   58    65    67    77  -0.07550 -1.0 2.0
   58    65    67    77   0.20000  1.0 3.0
   58    65    72    73   0.15000  1.0 3.0
   58    65    72    74   0.15000  1.0 3.0
   58    65    72    75   0.15000  1.0 3.0
   58    65    76    80  -0.25900  1.0 1.0
   58    65    76    80  -0.47000 -1.0 2.0
   58    65    76    80   0.11750  1.0 3.0
   59    58    62    50   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    72   0.15000  1.0 3.0
   59    58    65    76   0.23400  1.0 3.0
   62    50   -52    53   0.09850  1.0 1.0
   62    50   -52    53   0.15250 -1.0 2.0
   62    50   -52    53  -0.50650  1.0 3.0
   62    50    52    54   0.46850  1.0 1.0
   62    50    52    54   0.08550 -1.0 2.0
   62    50    52    54   0.09800  1.0 3.0
   62    58    65    67   0.56750  1.0 1.0
   62    58    65    67  -0.07550 -1.0 2.0
   62    58    65    67   0.20000  1.0 3.0
   62    58    65    72   0.56750  1.0 1.0
   62    58    65    72  -0.07550 -1.0 2.0
   62    58    65    72   0.20000  1.0 3.0
   62    58    65    76   0.62750  1.0 1.0
   62    58    65    76  -0.30950 -1.0 2.0
   62    58    65    76   0.27300  1.0 3.0
   65    58    62    50   0.56750  1.0 1.0
   65    58    62    50  -0.07550 -1.0 2.0
   65    58    62    50   0.20000  1.0 3.0
   65    58    62    63   0.15000  1.0 3.0
   65    58    62    64   0.15000  1.0 3.0
   65    67    77    78   0.15000  1.0 3.0
   65    67    77    82   0.56750  1.0 1.0
   65    67    77    82  -0.07550 -1.0 2.0
   65    67    77    82   0.20000  1.0 3.0
   65    67    77    89   0.62750  1.0 1.0
   65    67    77    89  -0.30950 -1.0 2.0
   65    67    77    89   0.27300  1.0 3.0
   65    76    80    81   3.00000 -1.0 2.0
   65    76    80    90   1.63150  1.0 1.0
   65    76    80    90   2.92000 -1.0 2.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   67    65    76    80  -0.25900  1.0 1.0
   67    65    76    80  -0.47000 -1.0 2.0
   67    65    76    80   0.11750  1.0 3.0
   67    77    82    60   0.56750  1.0 1.0
   67    77    82    60  -0.07550 -1.0 2.0
   67    77    82    60   0.20000  1.0 3.0
   67    77    82    79   0.56750  1.0 1.0
   67    77    82    79  -0.07550 -1.0 2.0
   67    77    82    79   0.20000  1.0 3.0
   67    77    82    94   0.86500  1.0 1.0
   67    77    82    94  -0.17500 -1.0 2.0
   67    77    82    94   0.20800  1.0 3.0
   67    77    89    96  -0.25900  1.0 1.0
   67    77    89    96  -0.47000 -1.0 2.0
   67    77    89    96   0.11750  1.0 3.0
   68    67    77    78   0.15000  1.0 3.0
   68    67    77    82   0.15000  1.0 3.0
   68    67    77    89   0.23400  1.0 3.0
   69    67    77    78   0.15000  1.0 3.0
   69    67    77    82   0.15000  1.0 3.0
   69    67    77    89   0.23400  1.0 3.0
   77    82    60    53   0.34400  1.0 1.0
   77    82    60    53   0.09450 -1.0 2.0
   77    82    60    53   0.11100  1.0 3.0
   77    82    60    61   0.15000  1.0 3.0
   77    82    60    66   0.62750  1.0 1.0
   77    82    60    66  -0.30950 -1.0 2.0
   77    82    60    66   0.27300  1.0 3.0
   77    82    79    70  -0.95700  1.0 1.0
   77    82    79    70  -0.18200 -1.0 2.0
   77    82    79    70   0.29450  1.0 3.0
   77    82    79    83   0.56750  1.0 1.0
   77    82    79    83  -0.07550 -1.0 2.0
   77    82    79    83   0.20000  1.0 3.0
   77    82    79    87   0.86500  1.0 1.0
   77    82    79    87  -0.17500 -1.0 2.0
   77    82    79    87   0.20800  1.0 3.0
   77    82    94    95  -0.11600  1.0 1.0
   77    82    94    95  -0.09450 -1.0 2.0
   77    82    94    95   0.21250  1.0 3.0
   77    89    96    97   3.00000 -1.0 2.0
   77    89    96    98   1.63150  1.0 1.0
   77    89    96    98   2.92000 -1.0 2.0
   78    77    82    60   0.15000  1.0 3.0
   78    77    82    79   0.15000  1.0 3.0
   78    77    82    94   0.23400  1.0 3.0
   78    77    89    96   0.08050  1.0 3.0
   82    77    89    96  -0.25900  1.0 1.0
   82    77    89    96  -0.47000 -1.0 2.0
   82    77    89    96   0.11750  1.0 3.0
   82    60   -66    70  -0.25900  1.0 1.0
   82    60   -66    70  -0.47000 -1.0 2.0
   82    60   -66    70   0.11750  1.0 3.0
   82    79    83    84   0.15000  1.0 3.0
   82    79    83    85   0.15000  1.0 3.0
   82    79    83    86   0.15000  1.0 3.0
   82    79    87    88  -0.11600  1.0 1.0
   82    79    87    88  -0.09450 -1.0 2.0
   82    79    87    88   0.21250  1.0 3.0
   60    53    58    59   0.34800  1.0 3.0
   60    53    58    62   0.46850  1.0 1.0
   60    53    58    62   0.08550 -1.0 2.0
   60    53    58    62   0.09800  1.0 3.0
   60    53    58    65   0.46850  1.0 1.0
   60    53    58    65   0.08550 -1.0 2.0
   60    53    58    65   0.09800  1.0 3.0
   60    82   -79    70  -0.95700  1.0 1.0
   60    82   -79    70  -0.18200 -1.0 2.0
   60    82   -79    70   0.29450  1.0 3.0
   60    82    79    83   0.56750  1.0 1.0
   60    82    79    83  -0.07550 -1.0 2.0
   60    82    79    83   0.20000  1.0 3.0
   60    82    79    87   0.86500  1.0 1.0
   60    82    79    87  -0.17500 -1.0 2.0
   60    82    79    87   0.20800  1.0 3.0
   60    82    94    95  -0.11600  1.0 1.0
   60    82    94    95  -0.09450 -1.0 2.0
   60    82    94    95   0.21250  1.0 3.0
   60    66    70    71   3.00000 -1.0 2.0
   60    66   -70    79   1.63150  1.0 1.0
   60    66   -70    79   2.92000 -1.0 2.0
   61    60    66    70   0.08050  1.0 3.0
   66    70   -79    82   0.36750  1.0 3.0
   66    70    79    83   0.36750  1.0 3.0
   66    70    79    87   0.30750  1.0 1.0
   66    70    79    87   1.13850 -1.0 2.0
   66    70    79    87   0.38850  1.0 3.0
   70    79    83    84  -0.11250  1.0 3.0
   70    79    83    85  -0.11250  1.0 3.0
   70    79    83    86  -0.11250  1.0 3.0
   70    79    87    88   0.91850  1.0 1.0
   70    79    87    88   0.57950  1.0 3.0
   71    70    79    82   0.30150 -1.0 2.0
   71    70    79    83   0.30150 -1.0 2.0
   71    70    79    87   0.30150 -1.0 2.0
   79    82    60    53   0.34400  1.0 1.0
   79    82    60    53   0.09450 -1.0 2.0
   79    82    60    53   0.11100  1.0 3.0
   79    82    60    61   0.15000  1.0 3.0
   79    82   -60    66   0.62750  1.0 1.0
   79    82   -60    66  -0.30950 -1.0 2.0
   79    82   -60    66   0.27300  1.0 3.0
   79    82    94    95  -0.11600  1.0 1.0
   79    82    94    95  -0.09450 -1.0 2.0
   79    82    94    95   0.21250  1.0 3.0
   83    79    87    88  -0.11600  1.0 1.0
   83    79    87    88  -0.09450 -1.0 2.0
   83    79    87    88   0.21250  1.0 3.0
   87    79    83    84   0.23400  1.0 3.0
   87    79    83    85   0.23400  1.0 3.0
   87    79    83    86   0.23400  1.0 3.0
   94    82    60    53   1.05650  1.0 1.0
   94    82    60    53   0.15600 -1.0 2.0
   94    82    60    53   0.53150  1.0 3.0
   94    82    60    61   0.23400  1.0 3.0
   94    82    60    66   3.69350  1.0 1.0
   94    82    60    66  -1.82950 -1.0 2.0
   94    82    79    70  -0.09450  1.0 1.0
   94    82    79    70  -1.12950 -1.0 2.0
   94    82    79    70   0.54000  1.0 3.0
   94    82    79    83   0.86500  1.0 1.0
   94    82    79    83  -0.17500 -1.0 2.0
   94    82    79    83   0.20800  1.0 3.0
   94    82    79    87   3.75450  1.0 1.0
   89    77    82    60   0.62750  1.0 1.0
   89    77    82    60  -0.30950 -1.0 2.0
   89    77    82    60   0.27300  1.0 3.0
   89    77    82    79   0.62750  1.0 1.0
   89    77    82    79  -0.30950 -1.0 2.0
   89    77    82    79   0.27300  1.0 3.0
   89    77    82    94   3.69350  1.0 1.0
   89    77    82    94  -1.82950 -1.0 2.0
   89    96    98    99   0.00000  1.0 1.0
   89    96    98   100   0.36750  1.0 3.0
   89    96    98   104   0.36750  1.0 3.0
   96    98   100   101  -0.11250  1.0 3.0
   96    98   100   102  -0.11250  1.0 3.0
   96    98   100   103  -0.11250  1.0 3.0
   96    98   104   105  -0.11250  1.0 3.0
   96    98   104   106  -0.11250  1.0 3.0
   96    98   104   107  -0.95700  1.0 1.0
   96    98   104   107  -0.18200 -1.0 2.0
   96    98   104   107   0.29450  1.0 3.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.30150 -1.0 2.0
   97    96    98   104   0.30150 -1.0 2.0
   98   104   107   108   0.15000  1.0 3.0
   98   104   107   109   0.15000  1.0 3.0
   98   104   107   110   0.15000  1.0 3.0
   99    98   100   101   0.15000  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   103   0.15000  1.0 3.0
   99    98   104   105   0.15000  1.0 3.0
   99    98   104   106   0.15000  1.0 3.0
   99    98   104   107   0.15000  1.0 3.0
  100    98   104   105   0.15000  1.0 3.0
  100    98   104   106   0.15000  1.0 3.0
  100    98   104   107   0.56750  1.0 1.0
  100    98   104   107  -0.07550 -1.0 2.0
  100    98   104   107   0.20000  1.0 3.0
  104    98   100   101   0.15000  1.0 3.0
  104    98   100   102   0.15000  1.0 3.0
  104    98   100   103   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   110   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   110   0.15000  1.0 3.0
   72    65    67    68   0.15000  1.0 3.0
   72    65    67    69   0.15000  1.0 3.0
   72    65    67    77   0.56750  1.0 1.0
   72    65    67    77  -0.07550 -1.0 2.0
   72    65    67    77   0.20000  1.0 3.0
   72    65    76    80  -0.25900  1.0 1.0
   72    65    76    80  -0.47000 -1.0 2.0
   72    65    76    80   0.11750  1.0 3.0
   76    65    67    68   0.23400  1.0 3.0
   76    65    67    69   0.23400  1.0 3.0
   76    65    67    77   0.62750  1.0 1.0
   76    65    67    77  -0.30950 -1.0 2.0
   76    65    67    77   0.27300  1.0 3.0
   76    65    72    73   0.23400  1.0 3.0
   76    65    72    74   0.23400  1.0 3.0
   76    65    72    75   0.23400  1.0 3.0
   76    80    90    91   0.00000  1.0 1.0
   76    80    90    92   0.00000  1.0 1.0
   76    80    90    93   0.00000  1.0 1.0
   81    80    90    91   0.00000  1.0 1.0
   81    80    90    92   0.00000  1.0 1.0
   81    80    90    93   0.00000  1.0 1.0
   54    52    53    58   7.00000 -1.0 2.0
   54    52    53    60   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    54    52    53   1.10000 -1.0 2.0
   58    60    53    52   1.10000 -1.0 2.0
   66    79    70    71  10.50000 -1.0 2.0
   89    98    96    97  10.50000 -1.0 2.0
   76    90    80    81  10.50000 -1.0 2.0
END
