* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    199    300     587
    1     0 S   NP   _N1_     1    29.83972   100.80419   -20.61495
    2     1 S   H    _HN1     2     1.03432   145.90956  -173.07295
    3     1 S   H    _H1_     3     1.02842    65.92111   -85.69200
    4     1 S   H    _H2_     4     1.02781    49.90051   130.92017
    5     1 S   CT   _CA1     5     1.49925   100.88495    22.68568
    6     5 S   HC   _HA1     6     1.09580   105.09110   112.51266
    7     5 S   CO3  _C1_     7     1.53745   112.79608    -7.71841
    8     7 S   O2Z  _O11     8     1.26377   115.10157   -41.56782
    9     7 S   O2Z  _O12     9     1.26274   114.94030   137.67941
   10     5 S   CT   _CB1    10     1.53085   107.62472  -129.33980
   11    10 S   HC   HB11    11     1.09712   109.77711   -47.43243
   12    10 S   HC   HB12    12     1.09825   110.53293    68.87116
   13    10 S   CT   _CG1    13     1.52953   112.42085  -169.04196
   14    13 S   HC   HG11    14     1.09553   111.17277   -71.88485
   15    13 S   HC   HG12    15     1.09545   110.47130    46.99993
   16    13 S   C    _CD1    16     1.51409   109.97637   168.64704
   17    16 S   O    _OE1    17     1.22896   121.73218    75.14504
   18    16 S   N    _N2_    18     1.38348   113.13171  -103.08522
   19    18 S   H    _HN2    19     1.01580   119.47080     1.02106
   20    18 S   CT1  _CA2    20     1.46089   122.87141   177.79096
   21    20 S   HC   _HA2    21     1.09612   110.16624    22.37179
   22    20 S   C    _C2_    22     1.52495   103.84120   -95.43628
   23    22 S   O    _O2_    23     1.22998   122.09258   -88.34894
   24    20 S   CT   _CB2    32     1.53289   111.83894   146.31079
   25    24 S   HC   HB21    33     1.09367   109.78278    61.06809
   26    24 S   HC   HB22    34     1.09496   109.63969   179.24879
   27    22 S   N    _N3_    24     1.38422   113.67179    86.84390
   28    27 S   H    _HN3    25     1.01582   119.44495     1.93846
   29    24 S   S    _SG2    35     1.82319   111.43043   -59.99019
   30    27 S   CT   _CA3    26     1.45453   122.00490  -170.45217
   31    30 S   HC   HA31    27     1.09604   107.51068    60.18244
   32    30 S   HC   HA32    28     1.09500   107.47897   176.18977
   33    29 S   CT   _C13    36     1.86363   100.64184   162.86209
   34    33 S   OM   _O36    37     1.32212   108.84485  -170.87234
   35    30 S   CO3  _C3_    29     1.52874   114.08151   -62.48486
   36    35 S   O2Z  _O31    30     1.26307   115.26099   -66.07606
   37    35 S   O2Z  _O32    31     1.26489   114.90702   114.28403
   38    33 S   CT   _C14    38     1.59118   109.34355    70.20081
   39    38 S   HC   _H6_    39     1.09885   106.84369   -64.01065
   40    33 S   OS   _O33    52     1.45909   113.19288   -45.00345
   41    38 S   CT   _C15    40     1.55255   116.45574    56.49501
   42    41 S   HC   _H15    41     1.09504   109.95695   -51.74738
   43    41 S   HC   _H16    42     1.09767   110.20558    65.28589
   44    38 S   NT   _N8_    49     1.48252   111.16634  -177.63686
   45    44 S   H    _H19    50     1.01780   109.61441   160.26171
   46    44 S   H    _H20    51     1.01863   108.67067    43.78960
   47    40 S   CA   _C11    53     1.38638   122.14130   -65.22464
   48    41 S   CT   _C16    43     1.53255   113.36066  -172.31924
   49    48 S   HC   _H17    44     1.09719   109.25924    51.45870
   50    48 S   HC   _H18    45     1.09625   110.12711   -66.43575
   51    47 S   CA   _C10    54     1.38500   116.00270  -166.61976
   52    48 S   CO3  _C17    46     1.53277   115.47877   172.67994
   53    52 S   O2Z  _O35    47     1.26579   113.98898  -173.02847
   54    52 S   O2Z  _O34    48     1.26112   116.81732     7.20786
   55    51 S   CA   _C9_    55     1.38406   114.82850  -179.14728
   56    55 S   NB   _N6_    56     1.35095   123.48755     1.77575
   57    55 S   NI   _N4_    62     1.40415   121.50998  -176.95104
   58    56 S   CQ   _C12    57     1.34710   117.20484    -0.60781
   59    57 S   CD   _C8_    63     1.29696   117.85784    -4.07621
   60    59 S   HC   _H12    64     1.10270   117.42023   178.05993
   61    47 S   NB   _N5_    58     1.34921   120.52797    16.23656
   62    58 S   NE   _N7_    59     1.38138   118.25683   179.26060
   63    62 S   H    _H13    60     1.00937   119.71786     0.42290
   64    62 S   H    _H14    61     1.00983   119.35209   179.09604
   65    59 S   CT   _C7_    65     1.51754   126.01339    -2.57815
   66    65 S   HC   _H5_    66     1.09509   106.96320   126.50009
   67    51 S   NE   _N9_    67     1.37630   123.73462     0.82448
   68    67 S   H    _H21    68     1.01332   119.15150     1.35379
   69    65 S   CT   _C6_    69     1.54881   111.49807  -113.49425
   70    69 S   HC   _H4_    70     1.09860   107.29821   173.41245
   71    69 S   CT   _C5_    71     1.54405   113.40477   -66.89315
   72    71 S   HC   _H3_    72     1.09690   109.38215    64.45855
   73    69 S   OS   _O37    94     1.44813   108.43210    53.54255
   74    71 S   CT   _C4_    73     1.52893   111.77663  -175.61443
   75    74 S   HC   _H9_    74     1.09552   110.81834    58.44500
   76    74 S   HC   _H10    75     1.09508   110.78468   176.49301
   77    74 S   HC   _H11    76     1.09365   111.70833   -63.05230
   78    71 S   OS   _O41    77     1.44220   108.34936   -56.23925
   79    73 S   CO4  _C18    95     1.36346   118.81750   125.86582
   80    79 S   O    _O38    96     1.22364   126.01527     2.21576
   81    78 S   CO4  _C23    78     1.36735   117.41956   151.93951
   82    81 S   O    _O42    79     1.22435   125.19693     2.71829
   83    79 S   CT1  _C19    97     1.51962   109.45996  -179.27019
   84    83 S   HC   _H7_    98     1.09378   108.11808   -60.69101
   85    81 S   CT1  _C24    80     1.52410   109.45824  -178.97607
   86    85 S   HC   _H8_    81     1.09664   107.14603   -63.91888
   87    83 S   CTJ  _C20    99     1.53466   110.16882    62.85120
   88    87 S   HC   _H22   100     1.09767   108.54820   -67.42052
   89    87 S   HC   _H23   101     1.09803   109.22680    46.99037
   90    83 S   NP   _N10   108     1.49167   109.88488  -175.21787
   91    90 S   H    _H26   109     1.02817   112.35136   170.73435
   92    90 S   H    _H27   110     1.02874   111.87487    50.44937
   93    90 S   H    _H28   111     1.03279   111.86913   -68.90678
   94    85 S   CTJ  _C25    82     1.53645   112.52712    56.27609
   95    94 S   HC   _H29    83     1.09832   108.93300  -176.99521
   96    94 S   HC   _H30    84     1.09762   109.18263   -61.91485
   97    85 S   NT   _N11    91     1.46485   108.77607   179.67254
   98    97 S   H    _H33    92     1.01901   109.62529   177.13037
   99    97 S   H    _H34    93     1.01932   109.67361    60.48272
  100    87 S   CTI  _C21   102     1.52488   116.74193   169.85695
  101   100 S   HC   _H24   103     1.09761   107.28532  -177.77384
  102   100 S   HC   _H25   104     1.09594   110.25253   -62.52759
  103    94 S   CTI  _C26    85     1.53039   114.44319    60.60735
  104   103 S   HC   _H31    86     1.09645   109.91815   -56.29286
  105   103 S   HC   _H32    87     1.09646   109.99366    61.76338
  106   100 S   CO3  _C22   105     1.52892   117.97445    62.61917
  107   106 S   O2Z  _O40   106     1.25967   116.51762     4.04152
  108   106 S   O2Z  _O39   107     1.26549   113.95549  -176.18207
  109   103 S   CO3  _C27    88     1.53253   114.86991  -177.20628
  110   109 S   O2Z  _O44    89     1.26505   113.99720   176.31698
  111   109 S   O2Z  _O43    90     1.26118   116.65522    -3.68674
  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   8   5   4   3
  14   6   2   1   1  13   8   8  11   6   5   3   1   1  10   5
   4   3  11   2   1   1  10   8   7   4   9   4   4   2   1   1
  11   6   5   1  13   6  11   7   8   5   3   2   1   6  11   4
  10   4  12   8  11   7  12   6   5   4   2   1   1  11   6   5
   3   1   1   5   4   3   5   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    44    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    44    45    46    40    47    51    61  
   38    39    41    44    40    47  
   36    37  
   37  
    0  
   39    41    42    43    48    49    50    52    44    45    46    40    47  
   41    42    43    48    44    45    46    40  
   47    51    55    58    61    67    41    44  
   42    43    48    49    50    52    53    54    44    45    46  
   43    48    49    50    52    44  
   48    49    50    52    44  
   45    46    48  
   46  
    0  
   51    55    56    58    61    62    57    65    67    68  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    58    61    57    59    65    66    67    68    69  
   53    54  
   54  
    0  
   56    58    61    62    57    59    60    65    67    68  
   58    61    62    63    64    57    59    67  
   59    60    65    66    67    69    58  
   61    62    63    64  
   60    65    66    67    68    69    70    71    73  
   65    66    67    69  
   62    63    64    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74    78    73    79  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69  
   70    71    72    74    75    76    77    78    81    73    79    80    83  
   71    72    74    78    73    79  
   72    74    75    76    77    78    81    82    85    73    79  
   74    75    76    77    78    81    73  
   79    80    83    84    87    90    74    78  
   75    76    77    78    81  
   76    77    78  
   77    78  
   78  
   81    82    85    86    94    97  
   80    83    84    87    88    89   100    90    91    92    93  
   83    84    87    90  
   82    85    86    94    95    96   103    97    98    99  
   85    86    94    97  
   84    87    88    89   100   101   102   106    90    91    92    93  
   87    88    89   100    90    91    92    93  
   86    94    95    96   103   104   105   109    97    98    99  
   94    95    96   103    97    98    99  
   88    89   100   101   102   106   107   108    90    91    92    93  
   89   100   101   102   106    90  
  100   101   102   106    90  
   91    92    93   100  
   92    93  
   93  
    0  
   95    96   103   104   105   109   110   111    97    98    99  
   96   103   104   105   109    97  
  103   104   105   109    97  
   98    99   103  
   99  
    0  
  101   102   106   107   108  
  102   106   107   108  
  106   107   108  
  104   105   109   110   111  
  105   109   110   111  
  109   110   111  
  107   108  
  108  
    0  
  110   111  
  111  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.764000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700   0.694800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2800   0.1700  -0.420500   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   91   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   98   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   99   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  109   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  111   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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   44    45   434.000  1.010
   44    46   434.000  1.010
   40    47   450.000  1.364
   47    51   469.000  1.400
   47    61   483.000  1.339
   51    55   469.000  1.400
   51    67   481.000  1.340
   55    56   483.000  1.339
   55    57   400.000  1.385
   56    58   502.000  1.324
   58    61   502.000  1.324
   58    62   410.000  1.375
   62    63   434.000  1.010
   62    64   434.000  1.010
   57    59   500.000  1.261
   59    60   370.000  1.093
   59    65   270.000  1.508
   65    66   340.000  1.090
   65    67   382.000  1.448
   65    69   268.000  1.529
   67    68   434.000  1.010
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    78   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    85   255.000  1.522
   85    86   340.000  1.090
   85    94   268.000  1.529
   85    97   305.000  1.457
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   109   317.000  1.522
  109   110   656.000  1.250
  109   111   656.000  1.250
   97    98   434.000  1.010
   97    99   434.000  1.010
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    83   255.000  1.522
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   106   317.000  1.522
  106   107   656.000  1.250
  106   108   656.000  1.250
   90    91   434.000  1.010
   90    92   434.000  1.010
   90    93   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    56.20000  109.47000
   33    40    47    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    70.00000  109.69300
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    52    53    70.00000  117.00000
   48    52    54    70.00000  117.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   54    52    53    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    41    56.20000  109.47000
   46    44    45    43.60000  106.40000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    47    51    70.00000  120.00000
   40    47    61    95.00000  115.10700
   47    51    55    63.00000  120.00000
   47    51    67    70.00000  120.10000
   47    61    58    70.00000  118.60000
   51    55    56    70.00000  124.00000
   51    55    57    70.00000  120.44500
   51    67    65    50.00000  120.00000
   51    67    68    35.00000  113.50000
   55    56    58    70.00000  118.60000
   55    57    59    70.00000  113.96500
   56    58    61    70.00000  129.10000
   56    58    62    85.00000  116.09700
   58    62    63    50.00000  113.31100
   58    62    64    50.00000  113.31100
   61    47    51    70.00000  124.00000
   62    58    61    85.00000  116.09700
   64    62    63    35.00000  109.00000
   57    55    56    75.00000  118.65000
   57    59    60    45.00000  120.55300
   57    59    65    65.00000  122.10100
   59    65    66    45.00000  109.49600
   59    65    67    80.00000  112.42400
   59    65    69    70.00000  111.76100
   65    59    60    40.00000  113.58700
   65    67    68    35.00000  112.50000
   65    69    70    37.50000  110.70000
   65    69    71    58.35000  112.70000
   65    69    73    50.00000  109.50000
   67    51    55    70.00000  120.10000
   67    65    66    35.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    80.00000  111.61500
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    78    50.00000  109.50000
   69    73    79    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    81    83.00000  116.90000
   74    71    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    74    50.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    85    90.00000  109.72300
   81    85    86    45.00000  110.09800
   81    85    94    65.00000  117.82000
   81    85    97    75.00000  112.91400
   85    81    82    75.00000  123.42600
   85    94    95    37.50000  110.70000
   85    94    96    37.50000  110.70000
   85    94   103    58.35000  112.70000
   85    97    98    50.00000  111.55300
   85    97    99    50.00000  111.55300
   94    85    86    37.50000  110.70000
   94   103   104    37.50000  110.70000
   94   103   105    37.50000  110.70000
   94   103   109    63.00000  111.10000
   96    94    95    33.00000  107.80000
  103    94    95    37.50000  110.70000
  103    94    96    37.50000  110.70000
  103   109   110    70.00000  117.00000
  103   109   111    70.00000  117.00000
  105   103   104    33.00000  107.80000
  109   103   104    35.00000  109.50000
  109   103   105    35.00000  109.50000
  111   109   110    80.00000  126.00000
   97    85    86    50.00000  109.55000
   97    85    94    80.00000  111.22000
   99    97    98    43.60000  106.40000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    83    90.00000  109.72300
   79    83    84    45.00000  110.09800
   79    83    87    65.00000  117.82000
   79    83    90    85.00000  107.27000
   83    79    80    75.00000  123.42600
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87   100    58.35000  112.70000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   87    83    84    37.50000  110.70000
   87   100   101    37.50000  110.70000
   87   100   102    37.50000  110.70000
   87   100   106    63.00000  111.10000
   89    87    88    33.00000  107.80000
  100    87    88    37.50000  110.70000
  100    87    89    37.50000  110.70000
  100   106   107    70.00000  117.00000
  100   106   108    70.00000  117.00000
  102   100   101    33.00000  107.80000
  106   100   101    35.00000  109.50000
  106   100   102    35.00000  109.50000
  108   106   107    80.00000  126.00000
   90    83    84    35.00000  109.50000
   90    83    87    80.00000  111.20000
   92    90    91    35.00000  109.50000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    47   0.14700  1.0 1.0
   29    33    40    47  -1.16150 -1.0 2.0
   29    33    40    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    48   0.56750  1.0 1.0
   33    38    41    48  -0.07550 -1.0 2.0
   33    38    41    48   0.20000  1.0 3.0
   33    38    44    45  -0.05950  1.0 1.0
   33    38    44    45   0.08850 -1.0 2.0
   33    38    44    45   0.11750  1.0 3.0
   33    38    44    46  -0.05950  1.0 1.0
   33    38    44    46   0.08850 -1.0 2.0
   33    38    44    46   0.11750  1.0 3.0
   33    40    47    51   1.63200 -1.0 2.0
   33    40    47    61  -0.24600  1.0 1.0
   33    40    47    61   2.11300 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.74050  1.0 1.0
   34    33    40    47  -0.25600  1.0 1.0
   34    33    40    47  -0.40050 -1.0 2.0
   34    33    40    47   0.34700  1.0 3.0
   38    33    40    47  -0.32850  1.0 1.0
   38    33    40    47  -0.35800 -1.0 2.0
   38    33    40    47   0.33950  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52  -1.63150  1.0 1.0
   38    41    48    52  -0.43550 -1.0 2.0
   38    41    48    52   0.24500  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   41    38    44    45  -0.05950  1.0 1.0
   41    38    44    45   0.08850 -1.0 2.0
   41    38    44    45   0.11750  1.0 3.0
   41    38    44    46  -0.05950  1.0 1.0
   41    38    44    46   0.08850 -1.0 2.0
   41    38    44    46   0.11750  1.0 3.0
   41    48    52    53   0.41150 -1.0 2.0
   41    48    52    54   0.41150 -1.0 2.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52  -0.11250  1.0 3.0
   43    41    48    49   0.15000  1.0 3.0
   43    41    48    50   0.15000  1.0 3.0
   43    41    48    52  -0.11250  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    54   0.00000  1.0 1.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    48   1.53400  1.0 1.0
   44    38    41    48  -0.09950 -1.0 2.0
   44    38    41    48   0.05700  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.74050  1.0 1.0
   40    47    51    55   3.62500 -1.0 2.0
   40    47    51    67   3.62500 -1.0 2.0
   40    47    61    58   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    57   3.62500 -1.0 2.0
   47    51    67    65  -1.00000  1.0 1.0
   47    51    67    65   1.25000 -1.0 2.0
   47    51    67    68   1.00000 -1.0 2.0
   51    47    61    58   3.62500 -1.0 2.0
   51    55   -56    58   3.62500 -1.0 2.0
   51    55    57    59   1.25000 -1.0 2.0
   55    51    67    65  -1.00000  1.0 1.0
   55    51    67    65   1.25000 -1.0 2.0
   55    51    67    68   1.00000 -1.0 2.0
   55    56    58    61   3.62500 -1.0 2.0
   55    56    58    62   3.62500 -1.0 2.0
   55    57    59    60   4.00000 -1.0 2.0
   55    57   -59    65   6.00000 -1.0 2.0
   56    55    57    59   1.25000 -1.0 2.0
   56    58   -61    47   3.62500 -1.0 2.0
   56    58    62    63   1.75000 -1.0 2.0
   56    58    62    64   1.75000 -1.0 2.0
   61    47   -51    55   3.62500 -1.0 2.0
   61    47    51    67   3.62500 -1.0 2.0
   61    58    62    63   1.75000 -1.0 2.0
   61    58    62    64   1.75000 -1.0 2.0
   62    58    61    47   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    59    65    66   0.00000  1.0 1.0
   57    59    65    67   0.00000  1.0 1.0
   57    59    65    69   0.00000  1.0 1.0
   59    65   -67    51  -0.12500  1.0 1.0
   59    65   -67    51  -0.12500 -1.0 2.0
   59    65   -67    51   0.25000  1.0 3.0
   59    65    67    68  -0.12500  1.0 1.0
   59    65    67    68  -0.12500 -1.0 2.0
   59    65    67    68   0.25000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.34400  1.0 1.0
   59    65    69    71   0.09450 -1.0 2.0
   59    65    69    71   0.11100  1.0 3.0
   59    65    69    73   0.61850  1.0 1.0
   59    65    69    73  -0.22750 -1.0 2.0
   59    65    69    73   0.15300  1.0 3.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    74   0.56750  1.0 1.0
   65    69    71    74  -0.07550 -1.0 2.0
   65    69    71    74   0.20000  1.0 3.0
   65    69    71    78   0.62750  1.0 1.0
   65    69    71    78  -0.30950 -1.0 2.0
   65    69    71    78   0.27300  1.0 3.0
   65    69    73    79  -0.25900  1.0 1.0
   65    69    73    79  -0.47000 -1.0 2.0
   65    69    73    79   0.11750  1.0 3.0
   66    65    67    51   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   67    51    55    56   3.62500 -1.0 2.0
   67    51   -55    57   3.62500 -1.0 2.0
   67    65    69    70   0.22950  1.0 3.0
   67    65    69    71   1.26750  1.0 1.0
   67    65    69    71  -0.00950 -1.0 2.0
   67    65    69    71   0.30600  1.0 3.0
   67    65    69    73   2.03850  1.0 1.0
   67    65    69    73  -0.40600 -1.0 2.0
   69    65    67    51  -0.12500  1.0 1.0
   69    65    67    51  -0.12500 -1.0 2.0
   69    65    67    51   0.25000  1.0 3.0
   69    65    67    68   0.00000  1.0 1.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    81  -0.25900  1.0 1.0
   69    71    78    81  -0.47000 -1.0 2.0
   69    71    78    81   0.11750  1.0 3.0
   69    73    79    80   3.00000 -1.0 2.0
   69    73    79    83   1.63150  1.0 1.0
   69    73    79    83   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.23400  1.0 3.0
   70    69    73    79   0.08050  1.0 3.0
   71    69    73    79  -0.25900  1.0 1.0
   71    69    73    79  -0.47000 -1.0 2.0
   71    69    73    79   0.11750  1.0 3.0
   71    78    81    82   3.00000 -1.0 2.0
   71    78    81    85   1.63150  1.0 1.0
   71    78    81    85   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    81   0.08050  1.0 3.0
   74    71    78    81  -0.25900  1.0 1.0
   74    71    78    81  -0.47000 -1.0 2.0
   74    71    78    81   0.11750  1.0 3.0
   78    71    74    75   0.23400  1.0 3.0
   78    71    74    76   0.23400  1.0 3.0
   78    71    74    77   0.23400  1.0 3.0
   78    81    85    86   0.00000  1.0 1.0
   78    81    85    94   0.36750  1.0 3.0
   78    81    85    97   0.40000  1.0 3.0
   81    85    94    95  -0.03800  1.0 3.0
   81    85    94    96  -0.03800  1.0 3.0
   81    85    94   103  -0.76350  1.0 1.0
   81    85    94   103   1.70300 -1.0 2.0
   81    85    97    98   0.21900  1.0 1.0
   81    85    97    98  -0.24900 -1.0 2.0
   81    85    97    98   0.15200  1.0 3.0
   81    85    97    99   0.21900  1.0 1.0
   81    85    97    99  -0.24900 -1.0 2.0
   81    85    97    99   0.15200  1.0 3.0
   82    81    85    86   0.00000  1.0 1.0
   82    81    85    94   0.00000  1.0 1.0
   82    81    85    97   0.30150 -1.0 2.0
   85    94   103   104   0.15000  1.0 3.0
   85    94   103   105   0.15000  1.0 3.0
   85    94   103   109  -1.59250  1.0 1.0
   85    94   103   109  -0.41250 -1.0 2.0
   85    94   103   109   0.24650  1.0 3.0
   86    85    94    95   0.15000  1.0 3.0
   86    85    94    96   0.15000  1.0 3.0
   86    85    94   103   0.15000  1.0 3.0
   86    85    97    98   0.20000  1.0 3.0
   86    85    97    99   0.20000  1.0 3.0
   94    85    97    98  -0.05950  1.0 1.0
   94    85    97    98   0.08850 -1.0 2.0
   94    85    97    98   0.11750  1.0 3.0
   94    85    97    99  -0.05950  1.0 1.0
   94    85    97    99   0.08850 -1.0 2.0
   94    85    97    99   0.11750  1.0 3.0
   94   103   109   110   0.27300 -1.0 2.0
   94   103   109   111   0.27300 -1.0 2.0
   95    94   103   104   0.15000  1.0 3.0
   95    94   103   105   0.15000  1.0 3.0
   95    94   103   109  -0.11250  1.0 3.0
   96    94   103   104   0.15000  1.0 3.0
   96    94   103   105   0.15000  1.0 3.0
   96    94   103   109  -0.11250  1.0 3.0
  104   103   109   110   0.00000  1.0 1.0
  104   103   109   111   0.00000  1.0 1.0
  105   103   109   110   0.00000  1.0 1.0
  105   103   109   111   0.00000  1.0 1.0
   97    85    94    95   0.15000  1.0 3.0
   97    85    94    96   0.15000  1.0 3.0
   97    85    94   103   1.53400  1.0 1.0
   97    85    94   103  -0.09950 -1.0 2.0
   97    85    94   103   0.05700  1.0 3.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    78   1.11900  1.0 1.0
   73    69    71    78  -1.16350 -1.0 2.0
   73    69    71    78  -0.34150  1.0 3.0
   73    79    83    84   0.00000  1.0 1.0
   73    79    83    87   0.36750  1.0 3.0
   73    79    83    90   0.40000  1.0 3.0
   79    83    87    88  -0.03800  1.0 3.0
   79    83    87    89  -0.03800  1.0 3.0
   79    83    87   100  -0.76350  1.0 1.0
   79    83    87   100   1.70300 -1.0 2.0
   79    83    90    91   0.17350  1.0 3.0
   79    83    90    92   0.17350  1.0 3.0
   79    83    90    93   0.17350  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    87   0.00000  1.0 1.0
   80    79    83    90   0.00000  1.0 1.0
   83    87   100   101   0.15000  1.0 3.0
   83    87   100   102   0.15000  1.0 3.0
   83    87   100   106  -1.59250  1.0 1.0
   83    87   100   106  -0.41250 -1.0 2.0
   83    87   100   106   0.24650  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87   100   0.15000  1.0 3.0
   84    83    90    91   0.13050  1.0 3.0
   84    83    90    92   0.13050  1.0 3.0
   84    83    90    93   0.13050  1.0 3.0
   87    83    90    91   0.17350  1.0 3.0
   87    83    90    92   0.17350  1.0 3.0
   87    83    90    93   0.17350  1.0 3.0
   87   100   106   107   0.27300 -1.0 2.0
   87   100   106   108   0.27300 -1.0 2.0
   88    87   100   101   0.15000  1.0 3.0
   88    87   100   102   0.15000  1.0 3.0
   88    87   100   106  -0.11250  1.0 3.0
   89    87   100   101   0.15000  1.0 3.0
   89    87   100   102   0.15000  1.0 3.0
   89    87   100   106  -0.11250  1.0 3.0
  101   100   106   107   0.00000  1.0 1.0
  101   100   106   108   0.00000  1.0 1.0
  102   100   106   107   0.00000  1.0 1.0
  102   100   106   108   0.00000  1.0 1.0
   90    83    87    88   0.23200  1.0 3.0
   90    83    87    89   0.23200  1.0 3.0
   90    83    87   100   1.79450  1.0 1.0
   90    83    87   100   1.06000 -1.0 2.0
   90    83    87   100  -0.53000  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
   53    48    52    54  10.50000 -1.0 2.0
   51    61    47    40   4.00000 -1.0 2.0
   55    67    51    47   4.00000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   61    62    58    56   4.00000 -1.0 2.0
   64    58    62    63   1.00000 -1.0 2.0
   65    60    59    57  10.50000 -1.0 2.0
   68    51    67    65   1.00000 -1.0 2.0
   78    85    81    82  10.50000 -1.0 2.0
  110   103   109   111  10.50000 -1.0 2.0
   73    83    79    80  10.50000 -1.0 2.0
  107   100   106   108  10.50000 -1.0 2.0
END
