* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    206    321     593
    1     0 S   NP   _N1_     1    28.95679    95.51497   -20.11896
    2     1 S   H    _HN1     2     1.02953    90.48200    28.37887
    3     1 S   H    _H1_     3     1.02830    40.06302   144.95036
    4     1 S   H    _H2_     4     1.02778    79.50007   -80.16820
    5     1 S   CT   _CA1     5     1.50099   149.78387   163.45447
    6     5 S   HC   _HA1     6     1.09571   105.27291    46.67553
    7     5 S   CO3  _C1_     7     1.53867   112.23630   -73.63002
    8     7 S   O2Z  _O11     8     1.26370   115.03754   -46.85830
    9     7 S   O2Z  _O12     9     1.26230   114.95635   132.24659
   10     5 S   CT   _CB1    10     1.53092   107.40894   164.62941
   11    10 S   HC   HB11    11     1.09819   109.59176   -49.78725
   12    10 S   HC   HB12    12     1.09821   110.35850    66.86204
   13    10 S   CT   _CG1    13     1.52935   112.49450  -170.82540
   14    13 S   HC   HG11    14     1.09602   110.35188   -59.31578
   15    13 S   HC   HG12    15     1.09636   110.12206    59.81943
   16    13 S   C    _CD1    16     1.51786   112.27223  -179.72164
   17    16 S   O    _OE1    17     1.22713   123.36981    -8.04984
   18    16 S   N    _N2_    18     1.38391   111.44732   172.01316
   19    18 S   H    _HN2    19     1.01822   119.04249     2.38811
   20    18 S   CT1  _CA2    20     1.46066   123.91371  -176.29303
   21    20 S   HC   _HA2    21     1.09666   109.70551   -17.80208
   22    20 S   C    _C2_    22     1.53450   107.56758  -134.29804
   23    22 S   O    _O2_    23     1.23029   122.60073  -141.57239
   24    20 S   CT   _CB2    32     1.53374   111.01124   104.97286
   25    24 S   HC   HB21    33     1.09285   108.66374    54.62737
   26    24 S   HC   HB22    34     1.09483   109.77501   172.77849
   27    22 S   N    _N3_    24     1.38371   113.38647    44.75426
   28    27 S   H    _HN3    25     1.01647   119.54767    -3.09446
   29    24 S   S    _SG2    35     1.83504   112.64084   -67.44060
   30    27 S   CT   _CA3    26     1.45281   122.79160   178.42095
   31    30 S   HC   HA31    27     1.09551   107.55136   -65.41286
   32    30 S   HC   HA32    28     1.09590   107.89800    50.93035
   33    29 S   CT   _C22    36     1.87028   102.23026   160.83968
   34    30 S   CO3  _C3_    29     1.52894   114.21567   173.06367
   35    34 S   O2Z  _O31    30     1.26361   116.10050     5.43823
   36    34 S   O2Z  _O32    31     1.26448   114.44888  -174.55047
   37    33 S   CM   _C21    37     1.51833   109.29914    43.83791
   38    33 S   CT   _C27   110     1.53581   106.64870   166.47886
   39    38 S   HC   _H18   111     1.09650   111.27752    65.70651
   40    38 S   HC   _H19   112     1.09641   112.41664   -55.38524
   41    38 S   HC   _H20   113     1.09691   111.01148  -174.98597
   42    37 S   N    _N7_    38     1.37093   108.32182  -108.87607
   43    42 S   H    _H14    39     1.01463   122.43450   173.12288
   44    37 S   CM   _C20    49     1.34294   127.19996    69.17552
   45    44 S   HC   _H13    50     1.08416   121.12232     3.77009
   46    42 S   C    _C24    40     1.38277   114.73008    -6.30363
   47    46 S   O    _O34    41     1.22145   126.50681   178.18630
   48    44 S   CD   _C19    51     1.47754   121.30031  -169.07840
   49    33 S   CT   _C23    42     1.56563   115.01674   -71.38910
   50    49 S   HC   _H4_    43     1.10078   108.93065  -146.18220
   51    48 S   CM   _C18    52     1.47132   120.65309  -153.69936
   52    49 S   CM   _C25    44     1.50272   118.74747   -20.56691
   53    52 S   HC   _H15    45     1.08729   118.26878    71.59614
   54    51 S   CM   _C17    53     1.34374   101.42024  -175.93721
   55    51 S   CT   _C28   106     1.47849   126.22773     4.67697
   56    55 S   HC   _H21   107     1.09450   110.54710   -61.68805
   57    55 S   HC   _H22   108     1.09360   112.11669   178.54572
   58    55 S   HC   _H23   109     1.09450   110.52592    58.41468
   59    52 S   CM   _C26    46     1.33829   123.86035  -109.92615
   60    59 S   HC   _H16    47     1.08540   120.44460  -179.37130
   61    59 S   HC   _H17    48     1.08438   121.69968     0.89482
   62    54 S   CM   _C16    54     1.45459   109.95132     0.69774
   63    54 S   CT   _C29    97     1.49975   126.57973  -178.04235
   64    63 S   HC   _H24    98     1.09726   109.77193    25.44877
   65    63 S   HC   _H25    99     1.09733   109.89803   140.28611
   66    48 S   NI   _N6_    55     1.29929   124.33622    30.26476
   67    62 S   CM   _C15    56     1.34435   128.16646   175.43297
   68    67 S   HC   _H12    57     1.08497   121.28382    -1.52097
   69    63 S   CT   _C30   100     1.52676   112.35948   -96.24499
   70    69 S   HC   _H26   101     1.09695   110.24596   -60.74175
   71    69 S   HC   _H27   102     1.09776   109.61218    56.95223
   72    67 S   C5A  _C14    58     1.41984   120.63427  -176.17695
   73    69 S   CO3  _C31   103     1.53220   114.54250   178.02375
   74    73 S   O2Z  _O36   104     1.26498   114.10704  -173.29887
   75    73 S   O2Z  _O35   105     1.26151   116.64791     6.76428
   76    72 S   C5BC _C13    59     1.38610   133.72034   118.81353
   77    76 S   C5BC _C12    60     1.43976   107.01469  -175.25542
   78    76 S   CT   _C32    88     1.49912   126.37810     2.04708
   79    78 S   HC   _H28    89     1.09759   109.40210    33.54018
   80    78 S   HC   _H29    90     1.09693   109.31610   148.97990
   81    77 S   C5A  _C11    61     1.38578   106.99955    -1.42478
   82    77 S   CT   _C35    84     1.48828   126.11036   177.63288
   83    82 S   HC   _H32    85     1.09451   110.63364    50.95820
   84    82 S   HC   _H33    86     1.09434   111.79447   170.76941
   85    82 S   HC   _H34    87     1.09473   110.19837   -69.06122
   86    78 S   CT   _C33    91     1.52581   112.34893   -88.62743
   87    86 S   HC   _H30    92     1.09772   109.75435    58.00308
   88    86 S   HC   _H31    93     1.09734   109.84826   -59.21522
   89    72 S   NA   _N5_    62     1.37301   118.59049   -60.29403
   90    89 S   H    _H11    63     1.01120   124.57624    -0.54608
   91    81 S   CM   _C10    64     1.41550   135.22106   178.98529
   92    91 S   HC   _H10    65     1.08586   116.43312   114.39963
   93    86 S   CO3  _C34    94     1.53107   114.72705   179.64227
   94    93 S   O2Z  _O38    95     1.26521   114.15857  -173.46154
   95    93 S   O2Z  _O37    96     1.26164   116.65117     6.77795
   96    91 S   CM   _C9_    66     1.34283   122.94294   -67.71912
   97    96 S   CM   _C6_    67     1.45849   127.43102  -178.50472
   98    97 S   CT   _C7_    68     1.51881   107.85115  -175.36976
   99    98 S   HC   _H3_    69     1.09557   111.12262  -123.13647
  100    97 S   CM   _C5_    78     1.34503   126.28899     8.48401
  101   100 S   HC   _H8_    79     1.08711   119.75940    -2.78530
  102    98 S   C    _C8_    70     1.51783   102.33717    -7.79170
  103   102 S   O    _O33    71     1.22229   125.08787  -174.66718
  104    98 S   CT   _C36    74     1.52433   113.59196   109.74044
  105   104 S   HC   _H35    75     1.09641   111.60498   -56.33933
  106   104 S   HC   _H36    76     1.09570   110.54339  -175.51900
  107   104 S   HC   _H37    77     1.09404   111.68941    64.51646
  108   100 S   CT   _C4_    80     1.49542   126.36295   175.79225
  109   108 S   HC   _H5_    81     1.09474   109.51746  -126.55823
  110   108 S   HC   _H6_    82     1.09417   109.85814   114.77142
  111   108 S   HC   _H7_    83     1.09259   113.30429    -6.63921
  112    96 S   N    _N4_    72     1.36761   124.96587    -0.33630
  113   112 S   H    _H9_    73     1.01462   123.32671    -1.41582
  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  12   5   4   3
  17   2   1   1  16   9   3   2   1   9   4   9   3   6   3  10
   6   3  12   4   3  16   6   2   1   1   2   1   1  10  10   5
   4   3   8   3   5   4   3  11   2   1   1  16  14  11   5   4
  11   5   2   1   1   5   4   3   4   1   8   3   2   1   1  11
  16  12   8   8   4   7   3   4   2   1   1   3   2   1   1   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    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    46    49    50    52    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    49    50    52    53    59    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    47    49    50    52    44    45    48    51    66    38    39    40    41  
   39    40    41    42    44    46    49    50    52  
   40    41    49  
   41    49  
   49  
   43    46    47    49    50    52    44    45    48  
   46    47    49    44  
   45    48    51    54    62    66    55    46    49  
   48    51    66  
   47    49    50    52    53    59  
   49    50    52  
   51    54    62    66    67    63    55    56    57    58  
   50    52    53    59    60    61  
   52    53    59  
   54    62    66    67    63    64    65    69    55    56    57    58  
   53    59    60    61  
   59    60    61  
   62    66    67    68    72    63    64    65    69    70    71    73    55    56    57    58  
   56    57    58    62    63    66  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   66    67    68    72    76    89    63    64    65    69  
   64    65    69    70    71    73    74    75    66    67  
   65    69    70    71    73  
   69    70    71    73  
   67    68    72  
   68    72    76    77    81    89    90    78  
   72    76    89  
   70    71    73    74    75  
   71    73    74    75  
   73    74    75  
   76    77    81    89    90    91    82    78    79    80    86  
   74    75  
   75  
    0  
   77    81    89    90    91    82    83    84    85    78    79    80    86    87    88    93  
   81    89    90    91    92    96    82    83    84    85    78    79    80    86  
   79    80    86    87    88    93    94    95    81    82    89  
   80    86    87    88    93  
   86    87    88    93  
   89    90    91    92    96    97   112    82    83    84    85  
   83    84    85    89    91  
   84    85  
   85  
    0  
   87    88    93    94    95  
   88    93    94    95  
   93    94    95  
   90    91    92    96  
   91  
   92    96    97    98   102   112   113   100  
   96    97   112  
   94    95  
   95  
    0  
   97    98    99   102   103   112   113   104   100   101   108  
   98    99   102   103   112   113   104   105   106   107   100   101   108   109   110   111  
   99   102   103   112   113   104   105   106   107   100   101   108  
  102   103   112   104   105   106   107   100  
  101   108   109   110   111   102   104   112  
  108   109   110   111  
  103   112   113   104   105   106   107  
  112   113   104  
  105   106   107   112  
  106   107  
  107  
    0  
  109   110   111  
  110   111  
  111  
    0  
  113  
    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   0.167500   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   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   90   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  113   0.5000   0.0300   0.300000   1.5900   1.4000   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   317.000  1.510
   33    49   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    44   549.000  1.340
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    52   317.000  1.510
   52    53   340.000  1.080
   52    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   44    45   340.000  1.080
   44    48   320.000  1.464
   48    51   320.000  1.464
   48    66   500.000  1.261
   51    54   549.000  1.340
   51    55   317.000  1.510
   54    62   380.000  1.444
   54    63   317.000  1.510
   62    66   405.000  1.380
   62    67   549.000  1.340
   67    68   340.000  1.080
   67    72   375.000  1.423
   72    76   546.000  1.367
   72    89   427.000  1.381
   76    77   469.000  1.424
   76    78   285.000  1.502
   77    81   546.000  1.367
   77    82   285.000  1.502
   81    89   427.000  1.381
   81    91   375.000  1.423
   89    90   434.000  1.010
   91    92   340.000  1.080
   91    96   549.000  1.340
   96    97   380.000  1.444
   96   112   400.000  1.384
   97    98   317.000  1.510
   97   100   549.000  1.340
   98    99   340.000  1.090
   98   102   317.000  1.522
   98   104   268.000  1.529
  102   103   570.000  1.229
  102   112   490.000  1.335
  112   113   434.000  1.010
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  100   101   340.000  1.080
  100   108   317.000  1.510
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   317.000  1.522
   93    94   656.000  1.250
   93    95   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    49    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    44    70.00000  124.00000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    70.00000  112.02700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    45.00000  117.55000
   37    42    46    70.00000  120.89900
   37    44    45    35.00000  120.00000
   37    44    48    60.00000  120.31500
   42    46    47    80.00000  122.90000
   42    46    49    70.00000  116.60000
   46    42    43    35.00000  119.80000
   46    49    50    35.00000  109.50000
   46    49    52    70.00000  115.00700
   49    33    37    70.00000  112.02700
   49    46    47    80.00000  120.40000
   49    52    53    35.00000  117.00000
   49    52    59    70.00000  124.00000
   52    49    50    35.00000  109.50000
   52    59    60    35.00000  120.00000
   52    59    61    35.00000  120.00000
   59    52    53    35.00000  120.00000
   61    59    60    35.00000  117.00000
   44    37    42    75.00000  120.83300
   44    48    51    65.00000  123.36000
   44    48    66    70.00000  121.86000
   48    44    45    40.00000  114.85300
   48    51    54    60.00000  120.31500
   48    51    55    65.00000  117.22000
   48    66    62    75.00000  115.77100
   51    54    62    70.00000  123.01800
   51    54    63    70.00000  124.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   54    62    66    70.00000  120.83400
   54    62    67    70.00000  123.01800
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    69    70.00000  112.02700
   62    67    68    35.00000  120.00000
   62    67    72    55.00000  128.24000
   66    48    51    70.00000  121.86000
   67    62    66    70.00000  120.83400
   67    72    76    50.00000  133.16000
   67    72    89    70.00000  120.38000
   72    67    68    40.00000  117.26300
   72    76    77    70.00000  107.30000
   72    76    78    60.00000  130.00000
   72    89    81    70.00000  109.80000
   72    89    90    35.00000  120.00000
   76    77    81    70.00000  107.30000
   76    77    82    60.00000  130.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    86    70.00000  112.17500
   77    81    89    70.00000  107.70000
   77    81    91    50.00000  133.16000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   81    89    90    35.00000  120.00000
   81    91    92    40.00000  117.26300
   81    91    96    55.00000  128.24000
   89    72    76    70.00000  107.70000
   91    81    89    70.00000  120.38000
   91    96    97    70.00000  123.01800
   91    96   112    75.00000  120.83300
   96    91    92    35.00000  120.00000
   96    97    98    70.00000  124.00000
   96    97   100    70.00000  123.01800
   96   112   102    70.00000  120.89900
   96   112   113    45.00000  117.55000
   97    98    99    35.00000  109.50000
   97    98   102    70.00000  115.00700
   97    98   104    70.00000  112.02700
   97   100   101    35.00000  120.00000
   97   100   108    70.00000  124.00000
   98   102   103    80.00000  120.40000
   98   102   112    70.00000  116.60000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    37.50000  110.70000
  102    98    99    35.00000  109.50000
  102   112   113    35.00000  119.80000
  112    96    97    75.00000  120.83300
  112   102   103    80.00000  122.90000
  104    98    99    37.50000  110.70000
  104    98   102    63.00000  111.10000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  100    97    98    70.00000  124.00000
  100   108   109    35.00000  109.50000
  100   108   110    35.00000  109.50000
  100   108   111    35.00000  109.50000
  108   100   101    35.00000  117.00000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   82    77    81    60.00000  130.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    76    77    60.00000  130.00000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    93    70.00000  109.69300
   80    78    79    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    80    37.50000  110.70000
   86    93    94    70.00000  117.00000
   86    93    95    70.00000  117.00000
   88    86    87    33.00000  107.80000
   93    86    87    35.00000  109.50000
   93    86    88    35.00000  109.50000
   95    93    94    80.00000  126.00000
   63    54    62    70.00000  124.00000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    73    70.00000  109.69300
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   75    73    74    80.00000  126.00000
   55    51    54    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   2.40850 -1.0 2.0
   33    37   -42    46  -0.45200  1.0 1.0
   33    37   -42    46   0.85900 -1.0 2.0
   33    37   -42    46   0.16650  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   33    49    52    53   0.00000  1.0 1.0
   33    49    52    59   0.09850  1.0 1.0
   33    49    52    59   0.15250 -1.0 2.0
   33    49    52    59  -0.50650  1.0 3.0
   37    33   -49    46  -0.98800  1.0 1.0
   37    33   -49    46   0.48800 -1.0 2.0
   37    33   -49    46   0.76800  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    52   0.31000  1.0 1.0
   37    33    49    52   0.14700 -1.0 2.0
   37    33    49    52   0.07550  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   2.67200 -1.0 2.0
   37    42   -46    49   0.67100  1.0 1.0
   37    42   -46    49   1.42150 -1.0 2.0
   37    42   -46    49   0.18700  1.0 3.0
   37    44    48    51   0.69550 -1.0 2.0
   37    44    48    66   1.09650  1.0 1.0
   37    44    48    66   0.48950 -1.0 2.0
   37    44    48    66   0.49400  1.0 3.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46   -49    33   1.39750  1.0 1.0
   42    46   -49    33  -0.07950 -1.0 2.0
   42    46   -49    33  -0.18750  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    52   0.00000  1.0 1.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    49   2.45000 -1.0 2.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    59  -0.51250  1.0 1.0
   46    49    52    59  -0.88800 -1.0 2.0
   46    49    52    59   0.08850  1.0 3.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    52   0.30150 -1.0 2.0
   49    33   -37    42  -0.93550  1.0 1.0
   49    33   -37    42   0.38900 -1.0 2.0
   49    33   -37    42   0.16950  1.0 3.0
   49    33    37    44   0.09850  1.0 1.0
   49    33    37    44   0.15250 -1.0 2.0
   49    33    37    44  -0.50650  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33    38    41   0.15000  1.0 3.0
   49    52    59    60   7.00000 -1.0 2.0
   49    52    59    61   7.00000 -1.0 2.0
   50    49    52    53   0.33100  1.0 3.0
   50    49    52    59   0.00000  1.0 1.0
   53    52    59    60   7.00000 -1.0 2.0
   53    52    59    61   7.00000 -1.0 2.0
   44    37    42    43   0.78350 -1.0 2.0
   44    37    42    46  -0.18900  1.0 1.0
   44    37    42    46   1.70900 -1.0 2.0
   44    48    51    54   0.69550 -1.0 2.0
   44    48    51    55   7.00000 -1.0 2.0
   44    48    66    62   6.00000 -1.0 2.0
   45    44    48    51   0.00000  1.0 1.0
   45    44    48    66   1.00600 -1.0 2.0
   48    51   -54    62   7.00000 -1.0 2.0
   48    51    54    63   7.00000 -1.0 2.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    57   0.00000  1.0 1.0
   48    51    55    58   0.00000  1.0 1.0
   51    48   -66    62   6.00000 -1.0 2.0
   51    54   -62    66  -0.18600  1.0 3.0
   51    54    62    67   0.28850  1.0 1.0
   51    54    62    67   2.61350 -1.0 2.0
   51    54    62    67   0.78400  1.0 3.0
   51    54    63    64   0.00000  1.0 1.0
   51    54    63    65   0.00000  1.0 1.0
   51    54    63    69   0.09850  1.0 1.0
   51    54    63    69   0.15250 -1.0 2.0
   51    54    63    69  -0.50650  1.0 3.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    58   0.00000  1.0 1.0
   54    62   -66    48   1.00000 -1.0 2.0
   54    62    67    68   7.00000 -1.0 2.0
   54    62    67    72   7.00000 -1.0 2.0
   54    63    69    70   0.15000  1.0 3.0
   54    63    69    71   0.15000  1.0 3.0
   54    63    69    73  -0.98800  1.0 1.0
   54    63    69    73   0.48800 -1.0 2.0
   54    63    69    73   0.76800  1.0 3.0
   62    54    63    64   0.00000  1.0 1.0
   62    54    63    65   0.00000  1.0 1.0
   62    54    63    69   0.98200  1.0 1.0
   62    54    63    69  -0.11900 -1.0 2.0
   62    54    63    69   0.24250  1.0 3.0
   62    67    72    76   0.15800  1.0 1.0
   62    67    72    76   1.85350 -1.0 2.0
   62    67    72    76  -0.48700  1.0 3.0
   62    67    72    89   0.11450  1.0 1.0
   62    67    72    89   1.85100 -1.0 2.0
   62    67    72    89  -0.49050  1.0 3.0
   66    48   -51    54   1.09650  1.0 1.0
   66    48   -51    54   0.48950 -1.0 2.0
   66    48   -51    54   0.49400  1.0 3.0
   66    48    51    55   7.00000 -1.0 2.0
   66    62    67    68   7.00000 -1.0 2.0
   66    62    67    72   7.00000 -1.0 2.0
   67    62    66    48   1.00000 -1.0 2.0
   67    72    76    77   3.62500 -1.0 2.0
   67    72    76    78   3.62500 -1.0 2.0
   67    72    89    81   3.62500 -1.0 2.0
   67    72    89    90   2.00000 -1.0 2.0
   68    67    72    76   0.56550  1.0 3.0
   68    67    72    89   0.54250  1.0 3.0
   72    76   -77    81   3.62500 -1.0 2.0
   72    76    77    82   3.62500 -1.0 2.0
   72    76    78    79   0.00000  1.0 1.0
   72    76    78    80   0.00000  1.0 1.0
   72    76    78    86   0.04150 -1.0 2.0
   76    72   -89    81   3.62500 -1.0 2.0
   76    72    89    90   2.00000 -1.0 2.0
   76    77   -81    89   3.62500 -1.0 2.0
   76    77    81    91   3.62500 -1.0 2.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    84   0.00000  1.0 1.0
   76    77    82    85   0.00000  1.0 1.0
   76    78    86    87   0.43200  1.0 3.0
   76    78    86    88   0.43200  1.0 3.0
   76    78    86    93  -2.95950  1.0 1.0
   76    78    86    93   0.02300  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    86   0.04150 -1.0 2.0
   77    81   -89    72   3.62500 -1.0 2.0
   77    81    89    90   2.00000 -1.0 2.0
   77    81    91    92   0.56550  1.0 3.0
   77    81    91    96   0.15800  1.0 1.0
   77    81    91    96   1.85350 -1.0 2.0
   77    81    91    96  -0.48700  1.0 3.0
   81    77    82    83   0.00000  1.0 1.0
   81    77    82    84   0.00000  1.0 1.0
   81    77    82    85   0.00000  1.0 1.0
   81    91    96    97   7.00000 -1.0 2.0
   81    91    96   112   7.00000 -1.0 2.0
   89    72   -76    77   3.62500 -1.0 2.0
   89    72    76    78   3.62500 -1.0 2.0
   89    81    91    92   0.54250  1.0 3.0
   89    81    91    96   0.11450  1.0 1.0
   89    81    91    96   1.85100 -1.0 2.0
   89    81    91    96  -0.49050  1.0 3.0
   91    81    89    72   3.62500 -1.0 2.0
   91    81    89    90   2.00000 -1.0 2.0
   91    96    97    98  -0.18600  1.0 3.0
   91    96    97   100   0.28850  1.0 1.0
   91    96    97   100   2.61350 -1.0 2.0
   91    96    97   100   0.78400  1.0 3.0
   91    96   112   102  -0.18900  1.0 1.0
   91    96   112   102   1.70900 -1.0 2.0
   91    96   112   113   0.78350 -1.0 2.0
   92    91    96    97   7.00000 -1.0 2.0
   92    91    96   112   7.00000 -1.0 2.0
   96    97    98    99   0.00000  1.0 1.0
   96    97   -98   102  -0.51250  1.0 1.0
   96    97   -98   102  -0.88800 -1.0 2.0
   96    97   -98   102   0.08850  1.0 3.0
   96    97    98   104   0.98200  1.0 1.0
   96    97    98   104  -0.11900 -1.0 2.0
   96    97    98   104   0.24250  1.0 3.0
   96    97   100   101   7.00000 -1.0 2.0
   96    97   100   108   7.00000 -1.0 2.0
   97    96  -112   102  -0.18900  1.0 1.0
   97    96  -112   102   1.70900 -1.0 2.0
   97    96   112   113   0.78350 -1.0 2.0
   97    98   102   103   0.30150 -1.0 2.0
   97    98  -102   112   0.00000  1.0 1.0
   97    98   104   105   0.15000  1.0 3.0
   97    98   104   106   0.15000  1.0 3.0
   97    98   104   107   0.15000  1.0 3.0
   97   100   108   109   0.00000  1.0 1.0
   97   100   108   110   0.00000  1.0 1.0
   97   100   108   111   0.00000  1.0 1.0
   98    97   100   101   7.00000 -1.0 2.0
   98    97   100   108   7.00000 -1.0 2.0
   98   102  -112    96   0.67100  1.0 1.0
   98   102  -112    96   1.42150 -1.0 2.0
   98   102  -112    96   0.18700  1.0 3.0
   98   102   112   113   2.45000 -1.0 2.0
   99    98   102   103   0.00000  1.0 1.0
   99    98   102   112   0.00000  1.0 1.0
   99    98   104   105   0.15000  1.0 3.0
   99    98   104   106   0.15000  1.0 3.0
   99    98   104   107   0.15000  1.0 3.0
  102    98   104   105  -0.11250  1.0 3.0
  102    98   104   106  -0.11250  1.0 3.0
  102    98   104   107  -0.11250  1.0 3.0
  103   102   112    96   2.67200 -1.0 2.0
  103   102   112   113   2.45000 -1.0 2.0
  112    96   -97    98   1.08500 -1.0 2.0
  112    96    97   100  -0.18600  1.0 3.0
  104    98   102   103   0.30150 -1.0 2.0
  104    98   102   112   1.39750  1.0 1.0
  104    98   102   112  -0.07950 -1.0 2.0
  104    98   102   112  -0.18750  1.0 3.0
  100    97    98    99   0.00000  1.0 1.0
  100    97    98   102  -0.51250  1.0 1.0
  100    97    98   102  -0.88800 -1.0 2.0
  100    97    98   102   0.08850  1.0 3.0
  100    97    98   104   0.09850  1.0 1.0
  100    97    98   104   0.15250 -1.0 2.0
  100    97    98   104  -0.50650  1.0 3.0
  101   100   108   109   0.33100  1.0 3.0
  101   100   108   110   0.33100  1.0 3.0
  101   100   108   111   0.33100  1.0 3.0
   82    77    81    89   3.62500 -1.0 2.0
   82    77    81    91   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   78    76    77    82   3.62500 -1.0 2.0
   78    86    93    94   0.41150 -1.0 2.0
   78    86    93    95   0.41150 -1.0 2.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    93  -0.11250  1.0 3.0
   80    78    86    87   0.15000  1.0 3.0
   80    78    86    88   0.15000  1.0 3.0
   80    78    86    93  -0.11250  1.0 3.0
   87    86    93    94   0.00000  1.0 1.0
   87    86    93    95   0.00000  1.0 1.0
   88    86    93    94   0.00000  1.0 1.0
   88    86    93    95   0.00000  1.0 1.0
   63    54    62    66   1.08500 -1.0 2.0
   63    54    62    67  -0.18600  1.0 3.0
   63    69    73    74   0.41150 -1.0 2.0
   63    69    73    75   0.41150 -1.0 2.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    73  -0.11250  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    73  -0.11250  1.0 3.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   71    69    73    74   0.00000  1.0 1.0
   71    69    73    75   0.00000  1.0 1.0
   55    51    54    62   7.00000 -1.0 2.0
   55    51    54    63   7.00000 -1.0 2.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    49    46  -0.95700  1.0 1.0
   38    33    49    46  -0.18200 -1.0 2.0
   38    33    49    46   0.29450  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    52   0.34400  1.0 1.0
   38    33    49    52   0.09450 -1.0 2.0
   38    33    49    52   0.11100  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   43    46    42    37   1.00000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   49    53    52    59  15.00000 -1.0 2.0
   60    61    59    52  15.00000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   44    51    48    66  10.50000 -1.0 2.0
   48    55    51    54   1.10000 -1.0 2.0
   62    63    54    51   1.10000 -1.0 2.0
   54    66    62    67   1.10000 -1.0 2.0
   72    68    67    62   1.10000 -1.0 2.0
   76    89    72    67   4.00000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   81    82    77    76   4.00000 -1.0 2.0
   91    89    81    77   4.00000 -1.0 2.0
   90    72    89    81   1.00000 -1.0 2.0
   81    92    91    96   1.10000 -1.0 2.0
   97   112    96    91   1.10000 -1.0 2.0
   96    98    97   100   1.10000 -1.0 2.0
   98   112   102   103  10.50000 -1.0 2.0
  113   102   112    96   1.00000 -1.0 2.0
  108   101   100    97   1.10000 -1.0 2.0
   94    86    93    95  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
