* LIGAND DATABASE FILE (OPLS2005)
*
001     109   108    190    282     562
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094   106.36050    -7.10321
    3     1 S   H    _H1_     3     1.02111    51.76275    94.08320
    4     1 S   H    _H2_     4     1.02148    60.47863  -109.65482
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.86449   100.38013   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C9_    37     1.54441   112.01739    59.99687
   38    37 S   HC   _H14    38     1.09491   110.11218   -59.96113
   39    37 S   HC   _H15    39     1.09587   110.23157  -174.01431
   40    33 S   OH   _O34    74     1.43235   108.91820   -59.53156
   41    40 S   HO   _H16    75     0.97121   108.02002   -58.07898
   42    33 S   S    _S2_    76     1.86415   105.49097  -177.11853
   43    37 S   S    _S1_    40     1.82310   116.72555    63.11041
   44    42 S   CT   _C11    77     1.81091   101.36936   157.54090
   45    44 S   HC   _H17    78     1.09462   107.40522    57.32715
   46    44 S   HC   _H18    79     1.09626   107.40507   -58.14725
   47    43 S   CT   _C8_    41     1.80619    98.11162   175.62462
   48    47 S   HC   _H12    42     1.09508   107.39602    40.04161
   49    47 S   HC   _H13    43     1.09531   107.49355   -75.43095
   50    44 S   CT1  _C12    80     1.53029   113.76357  -179.94405
   51    50 S   HC   _H4_    81     1.09712   108.66280   179.52605
   52    47 S   CT1  _C7_    44     1.53073   113.75444   162.67868
   53    52 S   HC   _H3_    45     1.09694   108.70614   179.60238
   54    50 S   C    _C13    82     1.52747   113.32817   -60.98022
   55    54 S   O    _O35    83     1.22939   122.98932   119.88240
   56    50 S   N    _N6_    92     1.44116   112.42276    63.03621
   57    56 S   H    _H22    93     1.01690   118.65332   -91.68462
   58    52 S   C    _C21    46     1.52750   113.36010   -60.90486
   59    58 S   O    _O41    47     1.22957   123.00774   119.82014
   60    52 S   N    _N4_    56     1.44054   112.38738    63.06908
   61    60 S   H    _H11    57     1.01729   118.76097   -91.62937
   62    54 S   N    _N5_    84     1.38768   112.22448   -59.02847
   63    62 S   H    _H19    85     1.01547   119.53299    -3.90590
   64    56 S   C    _C16    94     1.38875   122.56807    88.33354
   65    64 S   O    _O38    95     1.22773   125.03892     0.00000
   66    58 S   N    _N8_    48     1.38786   112.21746   -59.06670
   67    66 S   H    _H29    49     1.01555   119.50120    -3.92266
   68    60 S   C    _C6_    58     1.38914   122.58337    88.32292
   69    68 S   O    _O33    59     1.22848   124.98750    -0.02798
   70    62 S   CT   _C14    86     1.44437   122.62673   178.85056
   71    70 S   HC   _H20    87     1.09439   110.37858   -59.81227
   72    70 S   HC   _H21    88     1.09368   110.44094    59.91434
   73    64 S   CT   _C17    96     1.51949   111.65183   179.90109
   74    73 S   HC   _H23    97     1.09657   107.78738  -178.34117
   75    73 S   HC   _H24    98     1.09594   107.89745   -62.09479
   76    66 S   CT   _C22    50     1.44452   122.61756   178.83265
   77    76 S   HC   _H30    51     1.09420   110.36467   -59.78497
   78    76 S   HC   _H31    52     1.09489   110.40689    59.90300
   79    68 S   CT   _C5_    60     1.51905   111.73411   179.92338
   80    79 S   HC   _H9_    61     1.09635   107.77669   -58.30726
   81    79 S   HC   _H10    62     1.09636   107.90198    57.88514
   82    70 S   CO3  _C15    89     1.52039   105.94266  -180.00000
   83    82 S   O2Z  _O37    90     1.26392   115.12009    59.83203
   84    82 S   O2Z  _O36    91     1.26275   115.15138  -120.79521
   85    73 S   CT   _C18    99     1.53196   112.33042    59.97216
   86    85 S   HC   _H25   100     1.09729   109.37350   179.95154
   87    85 S   HC   _H26   101     1.09857   108.72500   -64.68166
   88    76 S   CO3  _C23    53     1.51908   105.95515  -180.00000
   89    88 S   O2Z  _O43    54     1.26406   115.17174    59.81210
   90    88 S   O2Z  _O42    55     1.26376   115.20322  -120.74766
   91    79 S   CT   _C4_    63     1.53186   112.34176   179.98022
   92    91 S   HC   _H7_    64     1.09692   109.36683   -59.98932
   93    91 S   HC   _H8_    65     1.09844   108.69888    55.26353
   94    85 S   CT1  _C19   102     1.53369   113.79210    57.01032
   95    94 S   HC   _H5_   103     1.09865   107.66083   -54.07964
   96    91 S   CT1  _C24    66     1.53404   113.79417   176.95233
   97    96 S   HC   _H6_    67     1.09777   107.67588   -54.08256
   98    94 S   CO3  _C20   104     1.54115   115.37358    62.79750
   99    98 S   O2Z  _O40   105     1.26432   115.35591    60.14848
  100    98 S   O2Z  _O39   106     1.26356   115.78345  -118.36893
  101    94 S   NT   _N7_   107     1.44638   109.63076  -168.14971
  102   101 S   H    _H27   108     1.00317   118.78885  -161.13883
  103   101 S   H    _H28   109     1.00434   118.69909    32.22302
  104    96 S   CO3  _C25    68     1.54157   115.34427    62.87992
  105   104 S   O2Z  _O45    69     1.26452   115.40069    60.08542
  106   104 S   O2Z  _O44    70     1.26389   115.72356  -118.41942
  107    96 S   NT   _N9_    71     1.44687   109.56272  -168.18449
  108   107 S   H    _H32    72     1.00359   118.76013  -161.10183
  109   107 S   H    _H33    73     1.00384   118.76263    32.31785
  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
  12   2   1   1  11   5   4   4   1   8   7  10   5   4  10   5
   4  11   6  11   6  10   4   8   3  10   4   8   3   7   4   8
   4   7   4   8   4   5   4   3   9   5   4   5   4   3   9   5
   4   2   1   1  10   5   4   2   1   1  10   5   4   7   6   7
   6   5   2   1   2   1   1   5   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    40    41    42    44    45    46    50  
   35    36  
   36  
    0  
   38    39    43    47    48    49    52    40    41    42    44  
   39    43    47    40    42  
   43    47    40    42  
   41    42    44    43  
   42  
   44    45    46    50    51    54    56    43  
   47    48    49    52    53    58    60  
   45    46    50    51    54    55    62    56    57    64  
   46    50    51    54    56  
   50    51    54    56  
   48    49    52    53    58    59    66    60    61    68  
   49    52    53    58    60  
   52    53    58    60  
   51    54    55    62    63    70    56    57    64    65    73  
   54    55    62    56    57    64  
   53    58    59    66    67    76    60    61    68    69    79  
   58    59    66    60    61    68  
   55    62    63    70    71    72    82    56    57    64  
   62    63    70    56  
   57    64    65    73    74    75    85    62  
   64    65    73  
   59    66    67    76    77    78    88    60    61    68  
   66    67    76    60  
   61    68    69    79    80    81    91    66  
   68    69    79  
   63    70    71    72    82    83    84  
   70    71    72    82  
   65    73    74    75    85    86    87    94  
   73    74    75    85  
   67    76    77    78    88    89    90  
   76    77    78    88  
   69    79    80    81    91    92    93    96  
   79    80    81    91  
   71    72    82    83    84  
   72    82    83    84  
   82    83    84  
   74    75    85    86    87    94    95    98   101  
   75    85    86    87    94  
   85    86    87    94  
   77    78    88    89    90  
   78    88    89    90  
   88    89    90  
   80    81    91    92    93    96    97   104   107  
   81    91    92    93    96  
   91    92    93    96  
   83    84  
   84  
    0  
   86    87    94    95    98    99   100   101   102   103  
   87    94    95    98   101  
   94    95    98   101  
   89    90  
   90  
    0  
   92    93    96    97   104   105   106   107   108   109  
   93    96    97   104   107  
   96    97   104   107  
   95    98    99   100   101   102   103  
   98    99   100   101   102   103  
   97   104   105   106   107   108   109  
  104   105   106   107   108   109  
   99   100   101   102   103  
  100   101  
  101  
  102   103  
  103  
    0  
  105   106   107   108   109  
  106   107  
  107  
  108   109  
  109  
    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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
  102   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  103   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  107   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
  108   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
  109   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.522
   52    60   337.000  1.449
   58    59   570.000  1.229
   58    66   490.000  1.335
   66    67   434.000  1.010
   66    76   337.000  1.449
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   60    61   434.000  1.010
   60    68   490.000  1.335
   68    69   570.000  1.229
   68    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96   104   317.000  1.522
   96   107   305.000  1.457
  104   105   656.000  1.250
  104   106   656.000  1.250
  107   108   434.000  1.010
  107   109   434.000  1.010
   40    41   553.000  0.945
   42    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    54   317.000  1.522
   50    56   337.000  1.449
   54    55   570.000  1.229
   54    62   490.000  1.335
   62    63   434.000  1.010
   62    70   337.000  1.449
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   56    57   434.000  1.010
   56    64   490.000  1.335
   64    65   570.000  1.229
   64    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    94   268.000  1.529
   94    95   340.000  1.090
   94    98   317.000  1.522
   94   101   305.000  1.457
   98    99   656.000  1.250
   98   100   656.000  1.250
  101   102   434.000  1.010
  101   103   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    40    41    55.00000  108.50000
   33    42    44    62.00000   98.90000
   37    43    47    62.00000   98.90000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    52    75.00000  108.68000
   47    52    53    37.50000  110.70000
   47    52    58    63.00000  111.10000
   47    52    60    80.00000  109.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    80.00000  120.40000
   52    58    66    70.00000  116.60000
   52    60    61    38.00000  118.40000
   52    60    68    50.00000  121.90000
   58    52    53    35.00000  109.50000
   58    66    67    35.00000  119.80000
   58    66    76    50.00000  121.90000
   66    58    59    80.00000  122.90000
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   66    76    88    63.00000  110.10000
   76    66    67    38.00000  118.40000
   76    88    89    70.00000  117.00000
   76    88    90    70.00000  117.00000
   78    76    77    33.00000  107.80000
   88    76    77    35.00000  109.50000
   88    76    78    35.00000  109.50000
   90    88    89    80.00000  126.00000
   60    52    53    35.00000  109.50000
   60    52    58    63.00000  110.10000
   60    68    69    80.00000  122.90000
   60    68    79    70.00000  116.60000
   68    60    61    35.00000  119.80000
   68    79    80    35.00000  109.50000
   68    79    81    35.00000  109.50000
   68    79    91    63.00000  111.10000
   79    68    69    80.00000  120.40000
   79    91    92    37.50000  110.70000
   79    91    93    37.50000  110.70000
   79    91    96    58.35000  112.70000
   81    79    80    33.00000  107.80000
   91    79    80    37.50000  110.70000
   91    79    81    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96   104    63.00000  111.10000
   91    96   107    80.00000  111.22000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96   104   105    70.00000  117.00000
   96   104   106    70.00000  117.00000
   96   107   108    50.00000  111.55300
   96   107   109    50.00000  111.55300
  104    96    97    35.00000  109.50000
  106   104   105    80.00000  126.00000
  107    96    97    50.00000  109.55000
  107    96   104    75.00000  111.54000
  109   107   108    43.60000  106.40000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    50    75.00000  108.68000
   44    50    51    37.50000  110.70000
   44    50    54    63.00000  111.10000
   44    50    56    80.00000  109.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    54    55    80.00000  120.40000
   50    54    62    70.00000  116.60000
   50    56    57    38.00000  118.40000
   50    56    64    50.00000  121.90000
   54    50    51    35.00000  109.50000
   54    62    63    35.00000  119.80000
   54    62    70    50.00000  121.90000
   62    54    55    80.00000  122.90000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    82    63.00000  110.10000
   70    62    63    38.00000  118.40000
   70    82    83    70.00000  117.00000
   70    82    84    70.00000  117.00000
   72    70    71    33.00000  107.80000
   82    70    71    35.00000  109.50000
   82    70    72    35.00000  109.50000
   84    82    83    80.00000  126.00000
   56    50    51    35.00000  109.50000
   56    50    54    63.00000  110.10000
   56    64    65    80.00000  122.90000
   56    64    73    70.00000  116.60000
   64    56    57    35.00000  119.80000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    85    63.00000  111.10000
   73    64    65    80.00000  120.40000
   73    85    86    37.50000  110.70000
   73    85    87    37.50000  110.70000
   73    85    94    58.35000  112.70000
   75    73    74    33.00000  107.80000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    94    95    37.50000  110.70000
   85    94    98    63.00000  111.10000
   85    94   101    80.00000  111.22000
   87    85    86    33.00000  107.80000
   94    85    86    37.50000  110.70000
   94    85    87    37.50000  110.70000
   94    98    99    70.00000  117.00000
   94    98   100    70.00000  117.00000
   94   101   102    50.00000  111.55300
   94   101   103    50.00000  111.55300
   98    94    95    35.00000  109.50000
  100    98    99    80.00000  126.00000
  101    94    95    50.00000  109.55000
  101    94    98    75.00000  111.54000
  103   101   102    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    44   0.08500  1.0 1.0
   29    33    42    44  -0.53150 -1.0 2.0
   29    33    42    44   0.48050  1.0 3.0
   33    37    43    47   0.01700  1.0 1.0
   33    37    43    47  -0.23550 -1.0 2.0
   33    37    43    47   0.21350  1.0 3.0
   33    42    44    45   0.32350  1.0 3.0
   33    42    44    46   0.32350  1.0 3.0
   33    42    44    50   0.01700  1.0 1.0
   33    42    44    50  -0.23550 -1.0 2.0
   33    42    44    50   0.21350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    44   0.01700  1.0 1.0
   37    33    42    44  -0.23550 -1.0 2.0
   37    33    42    44   0.21350  1.0 3.0
   37    43    47    48   0.32350  1.0 3.0
   37    43    47    49   0.32350  1.0 3.0
   37    43    47    52   0.01700  1.0 1.0
   37    43    47    52  -0.23550 -1.0 2.0
   37    43    47    52   0.21350  1.0 3.0
   38    37    43    47   0.32350  1.0 3.0
   39    37    43    47   0.32350  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    58  -2.17200  1.0 1.0
   43    47    52    58  -0.85700 -1.0 2.0
   43    47    52    60   0.71400  1.0 1.0
   43    47    52    60   0.04300 -1.0 2.0
   43    47    52    60   0.01450  1.0 3.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    66   0.93250  1.0 1.0
   47    52    58    66   0.04450 -1.0 2.0
   47    52    58    66   0.17550  1.0 3.0
   47    52    60    61   0.00000  1.0 1.0
   47    52    60    68   0.25950  1.0 1.0
   47    52    60    68   0.43850 -1.0 2.0
   47    52    60    68   2.61650  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    58  -0.03800  1.0 3.0
   48    47    52    60   0.23200  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    58  -0.03800  1.0 3.0
   49    47    52    60   0.23200  1.0 3.0
   52    58    66    67   2.45000 -1.0 2.0
   52    58    66    76   1.15000  1.0 1.0
   52    58    66    76   3.04450 -1.0 2.0
   52    60    68    69   3.04450 -1.0 2.0
   52    60    68    79   1.15000  1.0 1.0
   52    60    68    79   3.04450 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    66   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    68   0.00000  1.0 1.0
   58    52    60    61   0.00000  1.0 1.0
   58    52    60    68  -0.29800  1.0 1.0
   58    52    60    68   0.13950 -1.0 2.0
   58    52    60    68  -2.45650  1.0 3.0
   58    66    76    77   0.00000  1.0 1.0
   58    66    76    78   0.00000  1.0 1.0
   58    66    76    88  -0.29800  1.0 1.0
   58    66    76    88   0.13950 -1.0 2.0
   58    66    76    88  -2.45650  1.0 3.0
   59    58    66    67   2.45000 -1.0 2.0
   59    58    66    76   3.04450 -1.0 2.0
   66    76    88    89   0.00000  1.0 1.0
   66    76    88    90   0.00000  1.0 1.0
   67    66    76    77   0.00000  1.0 1.0
   67    66    76    78   0.00000  1.0 1.0
   67    66    76    88   0.00000  1.0 1.0
   77    76    88    89   0.00000  1.0 1.0
   77    76    88    90   0.00000  1.0 1.0
   78    76    88    89   0.00000  1.0 1.0
   78    76    88    90   0.00000  1.0 1.0
   60    52    58    59   0.00000  1.0 1.0
   60    52    58    66   0.37150  1.0 1.0
   60    52    58    66   1.25400 -1.0 2.0
   60    52    58    66  -0.40250  1.0 3.0
   60    68    79    80   0.00000  1.0 1.0
   60    68    79    81   0.00000  1.0 1.0
   60    68    79    91   1.39750  1.0 1.0
   60    68    79    91  -0.07950 -1.0 2.0
   60    68    79    91  -0.18750  1.0 3.0
   61    60    68    69   2.45000 -1.0 2.0
   61    60    68    79   2.45000 -1.0 2.0
   68    79    91    92  -0.11250  1.0 3.0
   68    79    91    93  -0.11250  1.0 3.0
   68    79    91    96  -0.84850  1.0 1.0
   68    79    91    96  -0.22800 -1.0 2.0
   68    79    91    96   0.29250  1.0 3.0
   69    68    79    80   0.00000  1.0 1.0
   69    68    79    81   0.00000  1.0 1.0
   69    68    79    91   0.30150 -1.0 2.0
   79    91    96    97   0.15000  1.0 3.0
   79    91    96   104  -0.84850  1.0 1.0
   79    91    96   104  -0.22800 -1.0 2.0
   79    91    96   104   0.29250  1.0 3.0
   79    91    96   107   1.53400  1.0 1.0
   79    91    96   107  -0.09950 -1.0 2.0
   79    91    96   107   0.05700  1.0 3.0
   80    79    91    92   0.15000  1.0 3.0
   80    79    91    93   0.15000  1.0 3.0
   80    79    91    96   0.15000  1.0 3.0
   81    79    91    92   0.15000  1.0 3.0
   81    79    91    93   0.15000  1.0 3.0
   81    79    91    96   0.15000  1.0 3.0
   91    96   104   105   0.00000  1.0 1.0
   91    96   104   106   0.00000  1.0 1.0
   91    96   107   108  -0.05950  1.0 1.0
   91    96   107   108   0.08850 -1.0 2.0
   91    96   107   108   0.11750  1.0 3.0
   91    96   107   109  -0.05950  1.0 1.0
   91    96   107   109   0.08850 -1.0 2.0
   91    96   107   109   0.11750  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96   104  -0.03800  1.0 3.0
   92    91    96   107   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96   104  -0.03800  1.0 3.0
   93    91    96   107   0.15000  1.0 3.0
   97    96   104   105   0.00000  1.0 1.0
   97    96   104   106   0.00000  1.0 1.0
   97    96   107   108   0.20000  1.0 3.0
   97    96   107   109   0.20000  1.0 3.0
  104    96   107   108   0.21900  1.0 1.0
  104    96   107   108  -0.24900 -1.0 2.0
  104    96   107   108   0.15200  1.0 3.0
  104    96   107   109   0.21900  1.0 1.0
  104    96   107   109  -0.24900 -1.0 2.0
  104    96   107   109   0.15200  1.0 3.0
  107    96   104   105   0.30150 -1.0 2.0
  107    96   104   106   0.30150 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    42    44   0.13850  1.0 1.0
   40    33    42    44  -1.34450 -1.0 2.0
   40    33    42    44   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  1.0 3.0
   42    44    50    51   0.15000  1.0 3.0
   42    44    50    54  -2.17200  1.0 1.0
   42    44    50    54  -0.85700 -1.0 2.0
   42    44    50    56   0.71400  1.0 1.0
   42    44    50    56   0.04300 -1.0 2.0
   42    44    50    56   0.01450  1.0 3.0
   44    50    54    55   0.00000  1.0 1.0
   44    50    54    62   0.93250  1.0 1.0
   44    50    54    62   0.04450 -1.0 2.0
   44    50    54    62   0.17550  1.0 3.0
   44    50    56    57   0.00000  1.0 1.0
   44    50    56    64   0.25950  1.0 1.0
   44    50    56    64   0.43850 -1.0 2.0
   44    50    56    64   2.61650  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    54  -0.03800  1.0 3.0
   45    44    50    56   0.23200  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    54  -0.03800  1.0 3.0
   46    44    50    56   0.23200  1.0 3.0
   50    54    62    63   2.45000 -1.0 2.0
   50    54    62    70   1.15000  1.0 1.0
   50    54    62    70   3.04450 -1.0 2.0
   50    56    64    65   3.04450 -1.0 2.0
   50    56    64    73   1.15000  1.0 1.0
   50    56    64    73   3.04450 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    62   0.00000  1.0 1.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    64   0.00000  1.0 1.0
   54    50    56    57   0.00000  1.0 1.0
   54    50    56    64  -0.29800  1.0 1.0
   54    50    56    64   0.13950 -1.0 2.0
   54    50    56    64  -2.45650  1.0 3.0
   54    62    70    71   0.00000  1.0 1.0
   54    62    70    72   0.00000  1.0 1.0
   54    62    70    82  -0.29800  1.0 1.0
   54    62    70    82   0.13950 -1.0 2.0
   54    62    70    82  -2.45650  1.0 3.0
   55    54    62    63   2.45000 -1.0 2.0
   55    54    62    70   3.04450 -1.0 2.0
   62    70    82    83   0.00000  1.0 1.0
   62    70    82    84   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    82   0.00000  1.0 1.0
   71    70    82    83   0.00000  1.0 1.0
   71    70    82    84   0.00000  1.0 1.0
   72    70    82    83   0.00000  1.0 1.0
   72    70    82    84   0.00000  1.0 1.0
   56    50    54    55   0.00000  1.0 1.0
   56    50    54    62   0.37150  1.0 1.0
   56    50    54    62   1.25400 -1.0 2.0
   56    50    54    62  -0.40250  1.0 3.0
   56    64    73    74   0.00000  1.0 1.0
   56    64    73    75   0.00000  1.0 1.0
   56    64    73    85   1.39750  1.0 1.0
   56    64    73    85  -0.07950 -1.0 2.0
   56    64    73    85  -0.18750  1.0 3.0
   57    56    64    65   2.45000 -1.0 2.0
   57    56    64    73   2.45000 -1.0 2.0
   64    73    85    86  -0.11250  1.0 3.0
   64    73    85    87  -0.11250  1.0 3.0
   64    73    85    94  -0.84850  1.0 1.0
   64    73    85    94  -0.22800 -1.0 2.0
   64    73    85    94   0.29250  1.0 3.0
   65    64    73    74   0.00000  1.0 1.0
   65    64    73    75   0.00000  1.0 1.0
   65    64    73    85   0.30150 -1.0 2.0
   73    85    94    95   0.15000  1.0 3.0
   73    85    94    98  -0.84850  1.0 1.0
   73    85    94    98  -0.22800 -1.0 2.0
   73    85    94    98   0.29250  1.0 3.0
   73    85    94   101   1.53400  1.0 1.0
   73    85    94   101  -0.09950 -1.0 2.0
   73    85    94   101   0.05700  1.0 3.0
   74    73    85    86   0.15000  1.0 3.0
   74    73    85    87   0.15000  1.0 3.0
   74    73    85    94   0.15000  1.0 3.0
   75    73    85    86   0.15000  1.0 3.0
   75    73    85    87   0.15000  1.0 3.0
   75    73    85    94   0.15000  1.0 3.0
   85    94    98    99   0.00000  1.0 1.0
   85    94    98   100   0.00000  1.0 1.0
   85    94   101   102  -0.05950  1.0 1.0
   85    94   101   102   0.08850 -1.0 2.0
   85    94   101   102   0.11750  1.0 3.0
   85    94   101   103  -0.05950  1.0 1.0
   85    94   101   103   0.08850 -1.0 2.0
   85    94   101   103   0.11750  1.0 3.0
   86    85    94    95   0.15000  1.0 3.0
   86    85    94    98  -0.03800  1.0 3.0
   86    85    94   101   0.15000  1.0 3.0
   87    85    94    95   0.15000  1.0 3.0
   87    85    94    98  -0.03800  1.0 3.0
   87    85    94   101   0.15000  1.0 3.0
   95    94    98    99   0.00000  1.0 1.0
   95    94    98   100   0.00000  1.0 1.0
   95    94   101   102   0.20000  1.0 3.0
   95    94   101   103   0.20000  1.0 3.0
   98    94   101   102   0.21900  1.0 1.0
   98    94   101   102  -0.24900 -1.0 2.0
   98    94   101   102   0.15200  1.0 3.0
   98    94   101   103   0.21900  1.0 1.0
   98    94   101   103  -0.24900 -1.0 2.0
   98    94   101   103   0.15200  1.0 3.0
  101    94    98    99   0.30150 -1.0 2.0
  101    94    98   100   0.30150 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   52    66    58    59  10.50000 -1.0 2.0
   67    58    66    76   1.00000 -1.0 2.0
   89    76    88    90  10.50000 -1.0 2.0
   61    68    60    52   1.00000 -1.0 2.0
   60    79    68    69  10.50000 -1.0 2.0
  105    96   104   106  10.50000 -1.0 2.0
   50    62    54    55  10.50000 -1.0 2.0
   63    54    62    70   1.00000 -1.0 2.0
   83    70    82    84  10.50000 -1.0 2.0
   57    64    56    50   1.00000 -1.0 2.0
   56    73    64    65  10.50000 -1.0 2.0
   99    94    98   100  10.50000 -1.0 2.0
END
