* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    195    315     587
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068   102.13377   -43.20678
    3     1 S   H    _H1_     3     1.02106    74.08161    63.02737
    4     1 S   H    _H2_     4     1.02119    40.04029  -147.88374
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C23    36     1.85054    96.84829  -178.15475
   34    33 S   HC   _H7_    37     1.11170   105.39866   -33.70967
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C22    38     1.51211   104.06737    79.98774
   39    38 S   HC   _H22    39     1.08686   118.42759   -76.71173
   40    38 S   CM   _C21    40     1.34063   121.16744   100.83110
   41    40 S   CM   _C20    41     1.44179   121.37152     3.25540
   42    41 S   HC   _H21    42     1.08550   117.15879  -172.39739
   43    40 S   OH   _O36   100     1.37515   123.55168  -177.18756
   44    43 S   HO   _H26   101     0.96349   110.11058     0.42933
   45    41 S   CM   _C19    43     1.34837   121.79883    14.84409
   46    45 S   CT   _C18    44     1.50666   119.51446   167.57147
   47    46 S   HC   _H19    45     1.09720   108.28367   -96.03092
   48    46 S   HC   _H20    46     1.09656   111.00018    20.32583
   49    46 S   CT   _C17    47     1.51903   113.56887   143.01696
   50    49 S   HC   _H17    48     1.09705   108.36262   174.16790
   51    49 S   HC   _H18    49     1.09831   109.44630   -70.01458
   52    49 S   CT   _C16    50     1.53689   111.83984    52.61536
   53    52 S   HC   _H6_    51     1.09415   108.22816    61.90532
   54    52 S   CT   _C11    52     1.53859   109.75288  -178.56550
   55    54 S   HC   _H4_    53     1.10281   106.07594    60.80625
   56    52 S   CT   _C15    66     1.56375   109.68255   -58.62944
   57    56 S   F    F1__    67     1.38284   103.61578   -58.28333
   58    54 S   CT   _C10    54     1.53054   118.94034   -57.48846
   59    58 S   HC   _H13    55     1.09603   110.34598   -41.53766
   60    58 S   HC   _H14    56     1.09590   111.77778    78.52597
   61    33 S   CT   _C24    68     1.59911   118.04164  -153.66175
   62    58 S   CT   _C9_    57     1.54320   104.40385  -159.72776
   63    62 S   HC   _H3_    58     1.09626   108.84132   125.08146
   64    61 S   CT   _C25    69     1.55984   106.58042   160.73163
   65    64 S   HC   _H23    70     1.07821   108.16750   -63.15582
   66    64 S   HC   _H24    71     1.07789   108.19022   176.82522
   67    64 S   HC   _H25    72     1.07895   108.17044    56.77499
   68    62 S   CT   _C8_    59     1.54881   106.23599     4.39169
   69    62 S   OS   _O38    93     1.41899   110.36797  -117.38234
   70    54 S   CT   _C12    60     1.54552   113.63364   179.67254
   71    68 S   CO4  _C7_    79     1.49964   112.90976   148.79181
   72    71 S   O    _O35    80     1.22991   121.26365  -149.96035
   73    68 S   OH   _O40    91     1.42400   110.91074   -94.01181
   74    73 S   HO   _H34    92     0.97078   106.61533   177.92614
   75    69 S   CO4  _C27    94     1.36852   115.91253   -88.48080
   76    75 S   O    _O39    95     1.22362   125.95376     0.01978
   77    70 S   CT   _C13    61     1.54324   107.15083   -61.36601
   78    77 S   HC   _H15    62     1.09646   110.17536   -64.47347
   79    77 S   HC   _H16    63     1.09752   109.32846   178.63973
   80    70 S   CT   _C26    75     1.55326   113.26892    61.16344
   81    80 S   HC   _H28    76     1.07949   108.52097    59.54449
   82    80 S   HC   _H29    77     1.08025   108.49789   -60.48449
   83    80 S   HC   _H30    78     1.08058   108.49690   179.50032
   84    71 S   CT   _C6_    81     1.51342   116.28640    29.94987
   85    84 S   HC   _H11    82     1.09353   109.74040    60.07192
   86    84 S   HC   _H12    83     1.09241   109.08392   -60.19254
   87    75 S   CT   _C28    96     1.49897   110.01176   179.96574
   88    87 S   HC   _H31    97     1.09323   109.83384   -89.94914
   89    87 S   HC   _H32    98     1.09222   109.84727   148.08877
   90    87 S   HC   _H33    99     1.09418   109.35053    29.11862
   91    77 S   CT   _C14    64     1.54611   113.02238    55.85850
   92    91 S   HC   _H5_    65     1.09617   106.60579  -172.12747
   93    84 S   OS   _O34    84     1.41168   110.66098  -179.41383
   94    91 S   OH   _O37    73     1.41911   109.22777    74.03153
   95    94 S   HO   _H27    74     0.97131   106.82319    59.97193
   96    93 S   CO4  _C5_    85     1.37218   116.18083  -179.96044
   97    96 S   O    _O33    86     1.22366   125.64853    -0.01978
   98    96 S   CT   _C4_    87     1.49853   110.29329   180.00000
   99    98 S   HC   _H8_    88     1.09285   109.84500   -89.92828
  100    98 S   HC   _H9_    89     1.09283   109.86337   148.08023
  101    98 S   HC   _H10    90     1.09435   109.30695    29.08026
  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
  17   7   2   1   1  10   4   7  11   4   2   1  15  11   6   5
  12   5   4  18   8  22   9  15   6  12   6   5   8  14   6   4
   2   1   1  19   9  15  10   5   4   1   5   4  10   5   4   4
   2   1   1   6   3   2   3   2   1   1   3   2   6   1   1   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    52    91    56    57    61    64    65    66    67    43  
   38    39    40    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    45    56    61    64    43    44  
   40    41    61    43  
   41    42    45    46    61    43    44  
   42    45    46    47    48    49    56    61    64    43    44  
   45    46    61    43  
   44    45  
    0  
   46    47    48    49    50    51    52    91    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    70    91    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    70    77    91    92    56    57    61    64    94    80  
   54    55    58    70    91    56    57    61  
   55    58    59    60    62    63    68    70    77    78    79    91    56    57    61    80    81    82    83    71    73    69  
   58    59    60    62    68    70    77    56    80  
   57    61    64    65    66    67    94    95    58    70    77    78    79    91    92  
   61    64    94    77    91    92  
   59    60    62    63    68    70    77    80    71    73    69    75  
   60    62    63    68    70    69  
   62    63    68    70    69  
   64    65    66    67    94    77    91    92  
   63    68    70    77    80    71    72    84    73    74    69    75    76    87  
   68    70    71    73    69    75  
   65    66    67    91  
   66    67  
   67  
    0  
   70    77    78    79    91    80    81    82    83    71    72    84    85    86    93    73    74    69    75  
   75    76    87    88    89    90    70    71    73  
   77    78    79    91    92    94    80    81    82    83    71    72    84    73    74  
   72    84    85    86    93    96    73    74    77    80  
   84    85    86    93    73  
   74    77    80    84  
    0  
   76    87    88    89    90  
   87    88    89    90  
   78    79    91    92    94    95    80    81    82    83  
   79    91    92    94    80  
   91    92    94    80  
   81    82    83    91  
   82    83  
   83  
    0  
   85    86    93    96    97    98  
   86    93    96  
   93    96  
   88    89    90  
   89    90  
   90  
    0  
   92    94    95  
   94    95  
   96    97    98    99   100   101  
   95  
    0  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    70   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   320.000  1.410
   68    70   268.000  1.529
   68    71   317.000  1.522
   68    73   320.000  1.410
   70    77   268.000  1.529
   70    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    91   268.000  1.529
   91    92   340.000  1.090
   91    56   268.000  1.529
   91    94   320.000  1.410
   56    57   367.000  1.332
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   94    95   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   71    72   570.000  1.229
   71    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   320.000  1.410
   93    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   73    74   553.000  0.945
   69    75   214.000  1.327
   75    76   570.000  1.229
   75    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    70.00000  124.00000
   41    45    61    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    70    58.35000  112.70000
   52    56    91    58.35000  112.70000
   52    56    57    50.00000  109.50000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    70    68    58.35000  112.70000
   54    70    77    58.35000  112.70000
   54    70    80    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    70    58.35000  112.70000
   62    68    71    63.00000  111.10000
   62    68    73    50.00000  109.50000
   62    69    75    83.00000  116.90000
   68    62    63    37.50000  110.70000
   68    70    77    58.35000  112.70000
   68    70    80    58.35000  112.70000
   68    71    72    80.00000  120.40000
   68    71    84    70.00000  116.00000
   68    73    74    55.00000  108.50000
   70    54    55    37.50000  110.70000
   70    54    58    58.35000  112.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    91    58.35000  112.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   77    91    92    37.50000  110.70000
   77    91    56    58.35000  112.70000
   77    91    94    50.00000  109.50000
   79    77    78    33.00000  107.80000
   91    77    78    37.50000  110.70000
   91    77    79    37.50000  110.70000
   91    56    57    50.00000  109.50000
   91    56    61    58.35000  112.70000
   91    94    95    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    91    92    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    45    46    65.00000  117.92700
   61    56    57    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    56    50.00000  109.50000
   80    70    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   71    68    70    63.00000  111.10000
   71    84    85    35.00000  109.50000
   71    84    86    35.00000  109.50000
   71    84    93    90.00000  108.74100
   84    71    72    80.00000  120.40000
   84    93    96    83.00000  116.90000
   86    84    85    33.00000  107.80000
   93    84    85    35.00000  109.50000
   93    84    86    35.00000  109.50000
   93    96    97    83.00000  123.40000
   93    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   98    96    97    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   73    68    70    50.00000  109.50000
   73    68    71    90.00000  109.61100
   69    62    63    35.00000  109.50000
   69    62    68    50.00000  109.50000
   69    75    76    83.00000  123.40000
   69    75    87    81.00000  111.40000
   75    87    88    35.00000  109.50000
   75    87    89    35.00000  109.50000
   75    87    90    35.00000  109.50000
   87    75    76    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   43    40    41    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    61    45   0.56750  1.0 1.0
   29    33    61    45  -0.07550 -1.0 2.0
   29    33    61    45   0.20000  1.0 3.0
   29    33    61    56   0.44750  1.0 1.0
   29    33    61    56  -0.17800 -1.0 2.0
   29    33    61    56   0.20200  1.0 3.0
   29    33    61    64   0.44750  1.0 1.0
   29    33    61    64  -0.17800 -1.0 2.0
   29    33    61    64   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    61    64    65   0.15000  1.0 3.0
   33    61    64    66   0.15000  1.0 3.0
   33    61    64    67   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    61    45   0.15000  1.0 3.0
   34    33    61    56   0.15000  1.0 3.0
   34    33    61    64   0.15000  1.0 3.0
   38    33    61    45   0.31000  1.0 1.0
   38    33    61    45   0.14700 -1.0 2.0
   38    33    61    45   0.07550  1.0 3.0
   38    33    61    56   0.34400  1.0 1.0
   38    33    61    56   0.09450 -1.0 2.0
   38    33    61    56   0.11100  1.0 3.0
   38    33    61    64   0.34400  1.0 1.0
   38    33    61    64   0.09450 -1.0 2.0
   38    33    61    64   0.11100  1.0 3.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    45   0.28850  1.0 1.0
   38    40   -41    45   2.61350 -1.0 2.0
   38    40   -41    45   0.78400  1.0 3.0
   38    40    43    44  -0.66100  1.0 1.0
   38    40    43    44   1.20850 -1.0 2.0
   38    40    43    44  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    45    46   7.00000 -1.0 2.0
   40    41    45    61   7.00000 -1.0 2.0
   41    40    43    44  -0.66100  1.0 1.0
   41    40    43    44   1.20850 -1.0 2.0
   41    40    43    44  -0.36000  1.0 3.0
   41    45    46    47   0.00000  1.0 1.0
   41    45    46    48   0.00000  1.0 1.0
   41    45    46    49   0.09850  1.0 1.0
   41    45    46    49   0.15250 -1.0 2.0
   41    45    46    49  -0.50650  1.0 3.0
   41    45   -61    33   0.09850  1.0 1.0
   41    45   -61    33   0.15250 -1.0 2.0
   41    45   -61    33  -0.50650  1.0 3.0
   41    45    61    56   0.09850  1.0 1.0
   41    45    61    56   0.15250 -1.0 2.0
   41    45    61    56  -0.50650  1.0 3.0
   41    45    61    64   0.09850  1.0 1.0
   41    45    61    64   0.15250 -1.0 2.0
   41    45    61    64  -0.50650  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    61   7.00000 -1.0 2.0
   45    46    49    50   0.15000  1.0 3.0
   45    46    49    51   0.15000  1.0 3.0
   45    46    49    52   0.34400  1.0 1.0
   45    46    49    52   0.09450 -1.0 2.0
   45    46    49    52   0.11100  1.0 3.0
   45    61    64    65   0.15000  1.0 3.0
   45    61    64    66   0.15000  1.0 3.0
   45    61    64    67   0.15000  1.0 3.0
   46    45    61    33   0.46850  1.0 1.0
   46    45    61    33   0.08550 -1.0 2.0
   46    45    61    33   0.09800  1.0 3.0
   46    45    61    56   0.46850  1.0 1.0
   46    45    61    56   0.08550 -1.0 2.0
   46    45    61    56   0.09800  1.0 3.0
   46    45    61    64   0.46850  1.0 1.0
   46    45    61    64   0.08550 -1.0 2.0
   46    45    61    64   0.09800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.56750  1.0 1.0
   46    49    52    54  -0.07550 -1.0 2.0
   46    49    52    54   0.20000  1.0 3.0
   46    49   -52    56   0.56750  1.0 1.0
   46    49   -52    56  -0.07550 -1.0 2.0
   46    49   -52    56   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   0.15000  1.0 3.0
   49    52    54    58   0.56750  1.0 1.0
   49    52    54    58  -0.07550 -1.0 2.0
   49    52    54    58   0.20000  1.0 3.0
   49    52    54    70   0.56750  1.0 1.0
   49    52    54    70  -0.07550 -1.0 2.0
   49    52    54    70   0.20000  1.0 3.0
   49    52    56    91   0.56750  1.0 1.0
   49    52    56    91  -0.07550 -1.0 2.0
   49    52    56    91   0.20000  1.0 3.0
   49    52    56    57   0.39650  1.0 1.0
   49    52    56    57  -0.18350 -1.0 2.0
   49    52    56    57   0.41450  1.0 3.0
   49    52    56    61   0.56750  1.0 1.0
   49    52    56    61  -0.07550 -1.0 2.0
   49    52    56    61   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    56   0.15000  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54    58    60   0.15000  1.0 3.0
   52    54    58    62   0.56750  1.0 1.0
   52    54    58    62  -0.07550 -1.0 2.0
   52    54    58    62   0.20000  1.0 3.0
   52    54    70    68   0.56750  1.0 1.0
   52    54    70    68  -0.07550 -1.0 2.0
   52    54    70    68   0.20000  1.0 3.0
   52    54    70    77   0.56750  1.0 1.0
   52    54    70    77  -0.07550 -1.0 2.0
   52    54    70    77   0.20000  1.0 3.0
   52    54    70    80   0.56750  1.0 1.0
   52    54    70    80  -0.07550 -1.0 2.0
   52    54    70    80   0.20000  1.0 3.0
   52    56    61    33   0.56750  1.0 1.0
   52    56    61    33  -0.07550 -1.0 2.0
   52    56    61    33   0.20000  1.0 3.0
   52    56   -61    45   0.34400  1.0 1.0
   52    56   -61    45   0.09450 -1.0 2.0
   52    56   -61    45   0.11100  1.0 3.0
   52    56    61    64   0.56750  1.0 1.0
   52    56    61    64  -0.07550 -1.0 2.0
   52    56    61    64   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    70   0.15000  1.0 3.0
   53    52    56    91   0.15000  1.0 3.0
   53    52    56    57   0.22100  1.0 3.0
   53    52    56    61   0.15000  1.0 3.0
   54    52    56    91   0.56750  1.0 1.0
   54    52    56    91  -0.07550 -1.0 2.0
   54    52    56    91   0.20000  1.0 3.0
   54    52    56    57   0.39650  1.0 1.0
   54    52    56    57  -0.18350 -1.0 2.0
   54    52    56    57   0.41450  1.0 3.0
   54    52    56    61   0.56750  1.0 1.0
   54    52    56    61  -0.07550 -1.0 2.0
   54    52    56    61   0.20000  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58   -62    68   0.56750  1.0 1.0
   54    58   -62    68  -0.07550 -1.0 2.0
   54    58   -62    68   0.20000  1.0 3.0
   54    58    62    69   0.62750  1.0 1.0
   54    58    62    69  -0.30950 -1.0 2.0
   54    58    62    69   0.27300  1.0 3.0
   54    70    77    78   0.15000  1.0 3.0
   54    70    77    79   0.15000  1.0 3.0
   54    70   -77    91   0.56750  1.0 1.0
   54    70   -77    91  -0.07550 -1.0 2.0
   54    70   -77    91   0.20000  1.0 3.0
   54    70    80    81   0.15000  1.0 3.0
   54    70    80    82   0.15000  1.0 3.0
   54    70    80    83   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    70    68   0.15000  1.0 3.0
   55    54    70    77   0.15000  1.0 3.0
   55    54    70    80   0.15000  1.0 3.0
   58    54   -70    68   0.56750  1.0 1.0
   58    54   -70    68  -0.07550 -1.0 2.0
   58    54   -70    68   0.20000  1.0 3.0
   58    54    70    77   0.56750  1.0 1.0
   58    54    70    77  -0.07550 -1.0 2.0
   58    54    70    77   0.20000  1.0 3.0
   58    54    70    80   0.56750  1.0 1.0
   58    54    70    80  -0.07550 -1.0 2.0
   58    54    70    80   0.20000  1.0 3.0
   58    62   -68    70   0.56750  1.0 1.0
   58    62   -68    70  -0.07550 -1.0 2.0
   58    62   -68    70   0.20000  1.0 3.0
   58    62    68    71  -0.95700  1.0 1.0
   58    62    68    71  -0.18200 -1.0 2.0
   58    62    68    71   0.29450  1.0 3.0
   58    62    68    73   0.86500  1.0 1.0
   58    62    68    73  -0.17500 -1.0 2.0
   58    62    68    73   0.20800  1.0 3.0
   58    62    69    75  -0.25900  1.0 1.0
   58    62    69    75  -0.47000 -1.0 2.0
   58    62    69    75   0.11750  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    68   0.15000  1.0 3.0
   59    58    62    69   0.23400  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    68   0.15000  1.0 3.0
   60    58    62    69   0.23400  1.0 3.0
   62    68   -70    54   0.56750  1.0 1.0
   62    68   -70    54  -0.07550 -1.0 2.0
   62    68   -70    54   0.20000  1.0 3.0
   62    68    70    77   0.56750  1.0 1.0
   62    68    70    77  -0.07550 -1.0 2.0
   62    68    70    77   0.20000  1.0 3.0
   62    68    70    80   0.56750  1.0 1.0
   62    68    70    80  -0.07550 -1.0 2.0
   62    68    70    80   0.20000  1.0 3.0
   62    68    71    72   0.30150 -1.0 2.0
   62    68    71    84   0.60050  1.0 1.0
   62    68    71    84   0.05600 -1.0 2.0
   62    68    71    84   0.26150  1.0 3.0
   62    68    73    74  -0.11600  1.0 1.0
   62    68    73    74  -0.09450 -1.0 2.0
   62    68    73    74   0.21250  1.0 3.0
   62    69    75    76   3.00000 -1.0 2.0
   62    69    75    87   1.63150  1.0 1.0
   62    69    75    87   2.92000 -1.0 2.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    71  -0.11250  1.0 3.0
   63    62    68    73   0.23400  1.0 3.0
   63    62    69    75   0.08050  1.0 3.0
   68    62    69    75  -0.25900  1.0 1.0
   68    62    69    75  -0.47000 -1.0 2.0
   68    62    69    75   0.11750  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   68    70    77    91   0.56750  1.0 1.0
   68    70    77    91  -0.07550 -1.0 2.0
   68    70    77    91   0.20000  1.0 3.0
   68    70    80    81   0.15000  1.0 3.0
   68    70    80    82   0.15000  1.0 3.0
   68    70    80    83   0.15000  1.0 3.0
   68    71    84    85   0.00000  1.0 1.0
   68    71    84    86   0.00000  1.0 1.0
   68    71    84    93   0.55300  1.0 1.0
   68    71    84    93   1.25850 -1.0 2.0
   68    71    84    93  -0.23600  1.0 3.0
   70    54    58    59   0.15000  1.0 3.0
   70    54    58    60   0.15000  1.0 3.0
   70    54   -58    62   0.56750  1.0 1.0
   70    54   -58    62  -0.07550 -1.0 2.0
   70    54   -58    62   0.20000  1.0 3.0
   70    68    71    72   0.30150 -1.0 2.0
   70    68    71    84   0.60050  1.0 1.0
   70    68    71    84   0.05600 -1.0 2.0
   70    68    71    84   0.26150  1.0 3.0
   70    68    73    74  -0.11600  1.0 1.0
   70    68    73    74  -0.09450 -1.0 2.0
   70    68    73    74   0.21250  1.0 3.0
   70    77    91    92   0.15000  1.0 3.0
   70    77    91    56   0.56750  1.0 1.0
   70    77    91    56  -0.07550 -1.0 2.0
   70    77    91    56   0.20000  1.0 3.0
   70    77    91    94   0.86500  1.0 1.0
   70    77    91    94  -0.17500 -1.0 2.0
   70    77    91    94   0.20800  1.0 3.0
   77    70    80    81   0.15000  1.0 3.0
   77    70    80    82   0.15000  1.0 3.0
   77    70    80    83   0.15000  1.0 3.0
   77    91   -56    52   0.56750  1.0 1.0
   77    91   -56    52  -0.07550 -1.0 2.0
   77    91   -56    52   0.20000  1.0 3.0
   77    91    56    57   0.39650  1.0 1.0
   77    91    56    57  -0.18350 -1.0 2.0
   77    91    56    57   0.41450  1.0 3.0
   77    91    56    61   0.56750  1.0 1.0
   77    91    56    61  -0.07550 -1.0 2.0
   77    91    56    61   0.20000  1.0 3.0
   77    91    94    95  -0.11600  1.0 1.0
   77    91    94    95  -0.09450 -1.0 2.0
   77    91    94    95   0.21250  1.0 3.0
   78    77    91    92   0.15000  1.0 3.0
   78    77    91    56   0.15000  1.0 3.0
   78    77    91    94   0.23400  1.0 3.0
   79    77    91    92   0.15000  1.0 3.0
   79    77    91    56   0.15000  1.0 3.0
   79    77    91    94   0.23400  1.0 3.0
   91    56    61    33   0.56750  1.0 1.0
   91    56    61    33  -0.07550 -1.0 2.0
   91    56    61    33   0.20000  1.0 3.0
   91    56    61    45   0.34400  1.0 1.0
   91    56    61    45   0.09450 -1.0 2.0
   91    56    61    45   0.11100  1.0 3.0
   91    56    61    64   0.56750  1.0 1.0
   91    56    61    64  -0.07550 -1.0 2.0
   91    56    61    64   0.20000  1.0 3.0
   92    91    56    52   0.15000  1.0 3.0
   92    91    56    57   0.22100  1.0 3.0
   92    91    56    61   0.15000  1.0 3.0
   92    91    94    95   0.19450  1.0 3.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    58   0.56750  1.0 1.0
   56    52    54    58  -0.07550 -1.0 2.0
   56    52    54    58   0.20000  1.0 3.0
   56    52   -54    70   0.56750  1.0 1.0
   56    52   -54    70  -0.07550 -1.0 2.0
   56    52   -54    70   0.20000  1.0 3.0
   56    91    94    95  -0.11600  1.0 1.0
   56    91    94    95  -0.09450 -1.0 2.0
   56    91    94    95   0.21250  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.15000  1.0 3.0
   57    56    61    33   0.39650  1.0 1.0
   57    56    61    33  -0.18350 -1.0 2.0
   57    56    61    33   0.41450  1.0 3.0
   57    56    61    45   0.54900  1.0 1.0
   57    56    61    45  -0.20450 -1.0 2.0
   57    56    61    45   0.19250  1.0 3.0
   57    56    61    64   0.39650  1.0 1.0
   57    56    61    64  -0.18350 -1.0 2.0
   57    56    61    64   0.41450  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    45    46    47   0.34800  1.0 3.0
   61    45    46    48   0.34800  1.0 3.0
   61    45   -46    49   0.46850  1.0 1.0
   61    45   -46    49   0.08550 -1.0 2.0
   61    45   -46    49   0.09800  1.0 3.0
   94    91    56    52   0.86500  1.0 1.0
   94    91    56    52  -0.17500 -1.0 2.0
   94    91    56    52   0.20800  1.0 3.0
   94    91    56    57   1.44150  1.0 1.0
   94    91    56    57  -0.96950 -1.0 2.0
   94    91    56    57   0.13600  1.0 3.0
   94    91    56    61   0.86500  1.0 1.0
   94    91    56    61  -0.17500 -1.0 2.0
   94    91    56    61   0.20800  1.0 3.0
   80    70    77    78   0.15000  1.0 3.0
   80    70    77    79   0.15000  1.0 3.0
   80    70    77    91   0.56750  1.0 1.0
   80    70    77    91  -0.07550 -1.0 2.0
   80    70    77    91   0.20000  1.0 3.0
   71    68    70    54  -0.95700  1.0 1.0
   71    68    70    54  -0.18200 -1.0 2.0
   71    68    70    54   0.29450  1.0 3.0
   71    68    70    77  -0.95700  1.0 1.0
   71    68    70    77  -0.18200 -1.0 2.0
   71    68    70    77   0.29450  1.0 3.0
   71    68    70    80  -0.95700  1.0 1.0
   71    68    70    80  -0.18200 -1.0 2.0
   71    68    70    80   0.29450  1.0 3.0
   71    68    73    74   0.91850  1.0 1.0
   71    68    73    74   0.57950  1.0 3.0
   71    84    93    96  -1.80650  1.0 1.0
   71    84    93    96   0.63900 -1.0 2.0
   71    84    93    96   0.03650  1.0 3.0
   72    71    84    85   0.00000  1.0 1.0
   72    71    84    86   0.00000  1.0 1.0
   72    71    84    93   0.30150 -1.0 2.0
   84    93    96    97   3.00000 -1.0 2.0
   84    93    96    98   1.63150  1.0 1.0
   84    93    96    98   2.92000 -1.0 2.0
   85    84    93    96   0.08050  1.0 3.0
   86    84    93    96   0.08050  1.0 3.0
   93    96    98    99   0.00000  1.0 1.0
   93    96    98   100   0.00000  1.0 1.0
   93    96    98   101   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   73    68    70    54   0.86500  1.0 1.0
   73    68    70    54  -0.17500 -1.0 2.0
   73    68    70    54   0.20800  1.0 3.0
   73    68    70    77   0.86500  1.0 1.0
   73    68    70    77  -0.17500 -1.0 2.0
   73    68    70    77   0.20800  1.0 3.0
   73    68    70    80   0.86500  1.0 1.0
   73    68    70    80  -0.17500 -1.0 2.0
   73    68    70    80   0.20800  1.0 3.0
   73    68    71    72   0.30150 -1.0 2.0
   73    68    71    84   0.55300  1.0 1.0
   73    68    71    84   1.25850 -1.0 2.0
   73    68    71    84  -0.23600  1.0 3.0
   69    62    68    70   0.62750  1.0 1.0
   69    62    68    70  -0.30950 -1.0 2.0
   69    62    68    70   0.27300  1.0 3.0
   69    62    68    71  -0.09450  1.0 1.0
   69    62    68    71  -1.12950 -1.0 2.0
   69    62    68    71   0.54000  1.0 3.0
   69    62    68    73   3.69350  1.0 1.0
   69    62    68    73  -1.82950 -1.0 2.0
   69    75    87    88   0.00000  1.0 1.0
   69    75    87    89   0.00000  1.0 1.0
   69    75    87    90   0.00000  1.0 1.0
   76    75    87    88   0.00000  1.0 1.0
   76    75    87    89   0.00000  1.0 1.0
   76    75    87    90   0.00000  1.0 1.0
   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   46    61    45    41   1.10000 -1.0 2.0
   68    84    71    72  10.50000 -1.0 2.0
   93    98    96    97  10.50000 -1.0 2.0
   69    87    75    76  10.50000 -1.0 2.0
END
