* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    199    300     587
    1     0 S   NP   _N1_     1    29.66115    98.39898   -19.96962
    2     1 S   H    _HN1     2     1.02770    91.84330   -96.85512
    3     1 S   H    _H1_     3     1.02943    70.63572    11.99064
    4     1 S   H    _H2_     4     1.02829    47.45086   150.31952
    5     1 S   CT   _CA1     5     1.50253   153.13358   109.03019
    6     5 S   HC   _HA1     6     1.09575   105.08091    90.88662
    7     5 S   CO3  _C1_     7     1.53828   111.90440   -29.04485
    8     7 S   O2Z  _O11     8     1.26450   114.97384   -47.16069
    9     7 S   O2Z  _O12     9     1.26177   114.93093   131.04925
   10     5 S   CT   _CB1    10     1.53060   107.28172  -151.33089
   11    10 S   HC   HB11    11     1.09833   109.36941   -47.16779
   12    10 S   HC   HB12    12     1.09804   110.52311    69.44227
   13    10 S   CT   _CG1    13     1.53026   112.69019  -168.03251
   14    13 S   HC   HG11    14     1.09533   110.55420   -64.02444
   15    13 S   HC   HG12    15     1.09634   109.81632    55.14150
   16    13 S   C    _CD1    16     1.51965   112.06493   175.09256
   17    16 S   O    _OE1    17     1.22787   123.08844    -1.39269
   18    16 S   N    _N2_    18     1.38547   111.94552   179.12732
   19    18 S   H    _HN2    19     1.01938   118.55639     1.87116
   20    18 S   CT1  _CA2    20     1.46267   123.32688  -179.05209
   21    20 S   HC   _HA2    21     1.09737   109.60586   -16.70816
   22    20 S   C    _C2_    22     1.53098   107.32461  -132.44743
   23    22 S   O    _O2_    23     1.23073   122.69360  -131.65432
   24    20 S   CT   _CB2    32     1.53237   111.74539   106.07184
   25    24 S   HC   HB21    33     1.09496   109.57639    50.78011
   26    24 S   HC   HB22    34     1.09494   110.04348   169.35878
   27    22 S   N    _N3_    24     1.38559   113.09178    53.54224
   28    27 S   H    _HN3    25     1.01540   119.13677    -1.43231
   29    24 S   S    _SG2    35     1.82575   111.87298   -71.77617
   30    27 S   CT   _CA3    26     1.45331   122.68386   177.58257
   31    30 S   HC   HA31    27     1.09552   108.50187    41.65675
   32    30 S   HC   HA32    28     1.09486   107.44096   158.36661
   33    29 S   CT   _C13    36     1.86458   100.51692   158.98683
   34    33 S   OM   _O36    37     1.32177   109.05793   178.45972
   35    30 S   CO3  _C3_    29     1.52856   113.16350   -81.17727
   36    35 S   O2Z  _O31    30     1.26376   115.27582   -56.22387
   37    35 S   O2Z  _O32    31     1.26378   115.00382   124.38982
   38    33 S   CT   _C14    38     1.59116   110.45877    59.06385
   39    38 S   HC   _H6_    39     1.09839   106.96729   -64.47536
   40    33 S   OS   _O33    52     1.45591   111.97638   -56.10567
   41    38 S   CT   _C15    40     1.55143   116.39160    56.09928
   42    41 S   HC   _H15    41     1.09504   109.99161   -50.63236
   43    41 S   HC   _H16    42     1.09763   110.23607    66.41770
   44    38 S   NT   _N8_    49     1.48311   111.28053  -177.74588
   45    44 S   H    _H19    50     1.01776   109.56995   160.61158
   46    44 S   H    _H20    51     1.01907   108.47019    44.36728
   47    40 S   CA   _C11    53     1.38685   121.89406   -56.14692
   48    41 S   CT   _C16    43     1.53242   113.15391  -171.18321
   49    48 S   HC   _H17    44     1.09729   109.23150    50.64571
   50    48 S   HC   _H18    45     1.09624   110.14094   -67.21264
   51    47 S   CA   _C10    54     1.38335   115.56802   166.03371
   52    48 S   CO3  _C17    46     1.53249   115.46402   171.84007
   53    52 S   O2Z  _O35    47     1.26578   113.97552  -170.15613
   54    52 S   O2Z  _O34    48     1.26105   116.79508    10.09625
   55    51 S   CA   _C9_    55     1.38188   114.98037   175.97572
   56    55 S   NB   _N6_    56     1.34986   123.34628     3.20125
   57    55 S   NI   _N4_    62     1.40359   121.23853  -175.55274
   58    56 S   CQ   _C12    57     1.34794   117.21906    -1.03873
   59    57 S   CD   _C8_    63     1.29761   117.67401    -6.84470
   60    59 S   HC   _H12    64     1.10204   116.97775  -178.09628
   61    47 S   NB   _N5_    58     1.34848   120.95256   -15.17148
   62    58 S   NE   _N7_    59     1.38160   118.24699   177.47369
   63    62 S   H    _H13    60     1.01229   119.11064    -6.84868
   64    62 S   H    _H14    61     1.00929   119.24678  -177.44871
   65    59 S   CT   _C7_    65     1.52146   125.86747    -2.06659
   66    65 S   HC   _H5_    66     1.09521   104.99036  -104.25205
   67    51 S   NE   _N9_    67     1.37797   123.35359    -1.38338
   68    67 S   H    _H21    68     1.01482   117.03562   -10.58496
   69    65 S   CT   _C6_    69     1.54475   110.92424   137.51326
   70    69 S   HC   _H4_    70     1.09739   109.43977   -56.63572
   71    69 S   CT   _C5_    71     1.54996   113.25070  -177.94253
   72    71 S   HC   _H3_    72     1.09558   109.82379    64.18734
   73    69 S   OS   _O37    95     1.45304   107.29233    63.78372
   74    71 S   CT   _C4_    73     1.52537   112.56541  -176.08533
   75    74 S   HC   _H9_    74     1.09392   111.52850    67.40931
   76    74 S   HC   _H10    75     1.09571   109.94116  -175.17379
   77    74 S   HC   _H11    76     1.09390   111.43263   -54.93435
   78    71 S   OS   _O41    77     1.44757   109.02734   -57.82534
   79    73 S   CO4  _C18    96     1.36698   118.74981  -118.94786
   80    79 S   O    _O38    97     1.22356   125.45456     0.21940
   81    78 S   CO4  _C23    78     1.36329   119.17580   113.17742
   82    81 S   O    _O42    79     1.22353   126.15505     3.48043
   83    79 S   CT1  _C19    98     1.52386   109.01780   178.62869
   84    83 S   HC   _H7_    99     1.09701   107.10805   -54.42700
   85    81 S   CT1  _C24    80     1.51849   109.34146  -176.26032
   86    85 S   HC   _H8_    81     1.09558   108.02401   -57.89219
   87    83 S   CTJ  _C20   100     1.53559   111.98552    65.34397
   88    87 S   HC   _H22   101     1.09822   108.89929  -171.78558
   89    87 S   HC   _H23   102     1.09761   109.08848   -56.51486
   90    83 S   NT   _N10   109     1.46414   109.03143  -170.58403
   91    90 S   H    _H26   110     1.01903   109.57401   177.84841
   92    90 S   H    _H27   111     1.01924   109.71680    61.21820
   93    85 S   CTJ  _C25    82     1.53400   111.95999    64.05067
   94    93 S   HC   _H28    83     1.09787   109.07361  -168.49369
   95    93 S   HC   _H29    84     1.09686   109.14125   -53.25375
   96    85 S   NP   _N11    91     1.49403   110.87411  -172.74428
   97    96 S   H    _H32    92     1.02875   111.80095   179.90513
   98    96 S   H    _H33    93     1.02862   111.36508    59.66609
   99    96 S   H    _H34    94     1.03195   112.39866   -59.88577
  100    87 S   CTI  _C21   103     1.53055   114.52677    66.22001
  101   100 S   HC   _H24   104     1.09614   110.05591   -51.43442
  102   100 S   HC   _H25   105     1.09661   109.88270    66.47140
  103    93 S   CTI  _C26    85     1.52804   114.02978    70.02855
  104   103 S   HC   _H30    86     1.09640   110.27394   -40.10087
  105   103 S   HC   _H31    87     1.09384   108.67992    77.58341
  106   100 S   CO3  _C22   106     1.53284   114.80098  -172.65073
  107   106 S   O2Z  _O40   107     1.26508   114.05188   173.43389
  108   106 S   O2Z  _O39   108     1.26140   116.67069    -6.58696
  109   103 S   CO3  _C27    88     1.52903   116.60291  -162.25422
  110   109 S   O2Z  _O44    89     1.26504   113.72961   171.57373
  111   109 S   O2Z  _O43    90     1.26024   116.51644    -8.47072
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  13   8   8  11   6   5   3   1   1  10   5
   4   3  11   2   1   1  10   8   7   4   9   4   4   2   1   1
  11   6   5   1  13   6  11   7   8   5   3   2   1   6  10   4
  11   4  11   7  12   8  11   6   5   3   1   1  12   6   5   4
   2   1   1   5   4   3   5   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    44    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    44    45    46    40    47    51    61  
   38    39    41    44    40    47  
   36    37  
   37  
    0  
   39    41    42    43    48    49    50    52    44    45    46    40    47  
   41    42    43    48    44    45    46    40  
   47    51    55    58    61    67    41    44  
   42    43    48    49    50    52    53    54    44    45    46  
   43    48    49    50    52    44  
   48    49    50    52    44  
   45    46    48  
   46  
    0  
   51    55    56    58    61    62    57    65    67    68  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    58    61    57    59    65    66    67    68    69  
   53    54  
   54  
    0  
   56    58    61    62    57    59    60    65    67    68  
   58    61    62    63    64    57    59    67  
   59    60    65    66    67    69    58  
   61    62    63    64  
   60    65    66    67    68    69    70    71    73  
   65    66    67    69  
   62    63    64    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74    78    73    79  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69  
   70    71    72    74    75    76    77    78    81    73    79    80    83  
   71    72    74    78    73    79  
   72    74    75    76    77    78    81    82    85    73    79  
   74    75    76    77    78    81    73  
   79    80    83    84    87    90    74    78  
   75    76    77    78    81  
   76    77    78  
   77    78  
   78  
   81    82    85    86    93    96  
   80    83    84    87    88    89   100    90    91    92  
   83    84    87    90  
   82    85    86    93    94    95   103    96    97    98    99  
   85    86    93    96  
   84    87    88    89   100   101   102   106    90    91    92  
   87    88    89   100    90    91    92  
   86    93    94    95   103   104   105   109    96    97    98    99  
   93    94    95   103    96    97    98    99  
   88    89   100   101   102   106   107   108    90    91    92  
   89   100   101   102   106    90  
  100   101   102   106    90  
   91    92   100  
   92  
    0  
   94    95   103   104   105   109   110   111    96    97    98    99  
   95   103   104   105   109    96  
  103   104   105   109    96  
   97    98    99   103  
   98    99  
   99  
    0  
  101   102   106   107   108  
  102   106   107   108  
  106   107   108  
  104   105   109   110   111  
  105   109   110   111  
  109   110   111  
  107   108  
  108  
    0  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.764000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700   0.694800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2800   0.1700  -0.420500   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   97   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   98   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   99   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  109   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   44    45   434.000  1.010
   44    46   434.000  1.010
   40    47   450.000  1.364
   47    51   469.000  1.400
   47    61   483.000  1.339
   51    55   469.000  1.400
   51    67   481.000  1.340
   55    56   483.000  1.339
   55    57   400.000  1.385
   56    58   502.000  1.324
   58    61   502.000  1.324
   58    62   410.000  1.375
   62    63   434.000  1.010
   62    64   434.000  1.010
   57    59   500.000  1.261
   59    60   370.000  1.093
   59    65   270.000  1.508
   65    66   340.000  1.090
   65    67   382.000  1.448
   65    69   268.000  1.529
   67    68   434.000  1.010
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    78   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    85   255.000  1.522
   85    86   340.000  1.090
   85    93   268.000  1.529
   85    96   367.000  1.471
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   109   317.000  1.522
  109   110   656.000  1.250
  109   111   656.000  1.250
   96    97   434.000  1.010
   96    98   434.000  1.010
   96    99   434.000  1.010
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    83   255.000  1.522
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    90   305.000  1.457
   87    88   340.000  1.090
   87    89   340.000  1.090
   87   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   106   317.000  1.522
  106   107   656.000  1.250
  106   108   656.000  1.250
   90    91   434.000  1.010
   90    92   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    56.20000  109.47000
   33    40    47    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    70.00000  109.69300
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    52    53    70.00000  117.00000
   48    52    54    70.00000  117.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   54    52    53    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    41    56.20000  109.47000
   46    44    45    43.60000  106.40000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    47    51    70.00000  120.00000
   40    47    61    95.00000  115.10700
   47    51    55    63.00000  120.00000
   47    51    67    70.00000  120.10000
   47    61    58    70.00000  118.60000
   51    55    56    70.00000  124.00000
   51    55    57    70.00000  120.44500
   51    67    65    50.00000  120.00000
   51    67    68    35.00000  113.50000
   55    56    58    70.00000  118.60000
   55    57    59    70.00000  113.96500
   56    58    61    70.00000  129.10000
   56    58    62    85.00000  116.09700
   58    62    63    50.00000  113.31100
   58    62    64    50.00000  113.31100
   61    47    51    70.00000  124.00000
   62    58    61    85.00000  116.09700
   64    62    63    35.00000  109.00000
   57    55    56    75.00000  118.65000
   57    59    60    45.00000  120.55300
   57    59    65    65.00000  122.10100
   59    65    66    45.00000  109.49600
   59    65    67    80.00000  112.42400
   59    65    69    70.00000  111.76100
   65    59    60    40.00000  113.58700
   65    67    68    35.00000  112.50000
   65    69    70    37.50000  110.70000
   65    69    71    58.35000  112.70000
   65    69    73    50.00000  109.50000
   67    51    55    70.00000  120.10000
   67    65    66    35.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    80.00000  111.61500
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    78    50.00000  109.50000
   69    73    79    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    81    83.00000  116.90000
   74    71    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    74    50.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    85    90.00000  109.72300
   81    85    86    45.00000  110.09800
   81    85    93    65.00000  117.82000
   81    85    96    85.00000  107.27000
   85    81    82    75.00000  123.42600
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93   103    58.35000  112.70000
   85    96    97    35.00000  109.50000
   85    96    98    35.00000  109.50000
   85    96    99    35.00000  109.50000
   93    85    86    37.50000  110.70000
   93   103   104    37.50000  110.70000
   93   103   105    37.50000  110.70000
   93   103   109    63.00000  111.10000
   95    93    94    33.00000  107.80000
  103    93    94    37.50000  110.70000
  103    93    95    37.50000  110.70000
  103   109   110    70.00000  117.00000
  103   109   111    70.00000  117.00000
  105   103   104    33.00000  107.80000
  109   103   104    35.00000  109.50000
  109   103   105    35.00000  109.50000
  111   109   110    80.00000  126.00000
   96    85    86    35.00000  109.50000
   96    85    93    80.00000  111.20000
   98    96    97    35.00000  109.50000
   99    96    97    35.00000  109.50000
   99    96    98    35.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    83    90.00000  109.72300
   79    83    84    45.00000  110.09800
   79    83    87    65.00000  117.82000
   79    83    90    75.00000  112.91400
   83    79    80    75.00000  123.42600
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87   100    58.35000  112.70000
   83    90    91    50.00000  111.55300
   83    90    92    50.00000  111.55300
   87    83    84    37.50000  110.70000
   87   100   101    37.50000  110.70000
   87   100   102    37.50000  110.70000
   87   100   106    63.00000  111.10000
   89    87    88    33.00000  107.80000
  100    87    88    37.50000  110.70000
  100    87    89    37.50000  110.70000
  100   106   107    70.00000  117.00000
  100   106   108    70.00000  117.00000
  102   100   101    33.00000  107.80000
  106   100   101    35.00000  109.50000
  106   100   102    35.00000  109.50000
  108   106   107    80.00000  126.00000
   90    83    84    50.00000  109.55000
   90    83    87    80.00000  111.22000
   92    90    91    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    47   0.14700  1.0 1.0
   29    33    40    47  -1.16150 -1.0 2.0
   29    33    40    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    48   0.56750  1.0 1.0
   33    38    41    48  -0.07550 -1.0 2.0
   33    38    41    48   0.20000  1.0 3.0
   33    38    44    45  -0.05950  1.0 1.0
   33    38    44    45   0.08850 -1.0 2.0
   33    38    44    45   0.11750  1.0 3.0
   33    38    44    46  -0.05950  1.0 1.0
   33    38    44    46   0.08850 -1.0 2.0
   33    38    44    46   0.11750  1.0 3.0
   33    40    47    51   1.63200 -1.0 2.0
   33    40    47    61  -0.24600  1.0 1.0
   33    40    47    61   2.11300 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.74050  1.0 1.0
   34    33    40    47  -0.25600  1.0 1.0
   34    33    40    47  -0.40050 -1.0 2.0
   34    33    40    47   0.34700  1.0 3.0
   38    33    40    47  -0.32850  1.0 1.0
   38    33    40    47  -0.35800 -1.0 2.0
   38    33    40    47   0.33950  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52  -1.63150  1.0 1.0
   38    41    48    52  -0.43550 -1.0 2.0
   38    41    48    52   0.24500  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   41    38    44    45  -0.05950  1.0 1.0
   41    38    44    45   0.08850 -1.0 2.0
   41    38    44    45   0.11750  1.0 3.0
   41    38    44    46  -0.05950  1.0 1.0
   41    38    44    46   0.08850 -1.0 2.0
   41    38    44    46   0.11750  1.0 3.0
   41    48    52    53   0.41150 -1.0 2.0
   41    48    52    54   0.41150 -1.0 2.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52  -0.11250  1.0 3.0
   43    41    48    49   0.15000  1.0 3.0
   43    41    48    50   0.15000  1.0 3.0
   43    41    48    52  -0.11250  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    54   0.00000  1.0 1.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    48   1.53400  1.0 1.0
   44    38    41    48  -0.09950 -1.0 2.0
   44    38    41    48   0.05700  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.74050  1.0 1.0
   40    47    51    55   3.62500 -1.0 2.0
   40    47    51    67   3.62500 -1.0 2.0
   40    47    61    58   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    57   3.62500 -1.0 2.0
   47    51    67    65  -1.00000  1.0 1.0
   47    51    67    65   1.25000 -1.0 2.0
   47    51    67    68   1.00000 -1.0 2.0
   51    47    61    58   3.62500 -1.0 2.0
   51    55   -56    58   3.62500 -1.0 2.0
   51    55    57    59   1.25000 -1.0 2.0
   55    51    67    65  -1.00000  1.0 1.0
   55    51    67    65   1.25000 -1.0 2.0
   55    51    67    68   1.00000 -1.0 2.0
   55    56    58    61   3.62500 -1.0 2.0
   55    56    58    62   3.62500 -1.0 2.0
   55    57    59    60   4.00000 -1.0 2.0
   55    57   -59    65   6.00000 -1.0 2.0
   56    55    57    59   1.25000 -1.0 2.0
   56    58   -61    47   3.62500 -1.0 2.0
   56    58    62    63   1.75000 -1.0 2.0
   56    58    62    64   1.75000 -1.0 2.0
   61    47   -51    55   3.62500 -1.0 2.0
   61    47    51    67   3.62500 -1.0 2.0
   61    58    62    63   1.75000 -1.0 2.0
   61    58    62    64   1.75000 -1.0 2.0
   62    58    61    47   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    59    65    66   0.00000  1.0 1.0
   57    59    65    67   0.00000  1.0 1.0
   57    59    65    69   0.00000  1.0 1.0
   59    65   -67    51  -0.12500  1.0 1.0
   59    65   -67    51  -0.12500 -1.0 2.0
   59    65   -67    51   0.25000  1.0 3.0
   59    65    67    68  -0.12500  1.0 1.0
   59    65    67    68  -0.12500 -1.0 2.0
   59    65    67    68   0.25000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.34400  1.0 1.0
   59    65    69    71   0.09450 -1.0 2.0
   59    65    69    71   0.11100  1.0 3.0
   59    65    69    73   0.61850  1.0 1.0
   59    65    69    73  -0.22750 -1.0 2.0
   59    65    69    73   0.15300  1.0 3.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    74   0.56750  1.0 1.0
   65    69    71    74  -0.07550 -1.0 2.0
   65    69    71    74   0.20000  1.0 3.0
   65    69    71    78   0.62750  1.0 1.0
   65    69    71    78  -0.30950 -1.0 2.0
   65    69    71    78   0.27300  1.0 3.0
   65    69    73    79  -0.25900  1.0 1.0
   65    69    73    79  -0.47000 -1.0 2.0
   65    69    73    79   0.11750  1.0 3.0
   66    65    67    51   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   67    51    55    56   3.62500 -1.0 2.0
   67    51   -55    57   3.62500 -1.0 2.0
   67    65    69    70   0.22950  1.0 3.0
   67    65    69    71   1.26750  1.0 1.0
   67    65    69    71  -0.00950 -1.0 2.0
   67    65    69    71   0.30600  1.0 3.0
   67    65    69    73   2.03850  1.0 1.0
   67    65    69    73  -0.40600 -1.0 2.0
   69    65    67    51  -0.12500  1.0 1.0
   69    65    67    51  -0.12500 -1.0 2.0
   69    65    67    51   0.25000  1.0 3.0
   69    65    67    68   0.00000  1.0 1.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    81  -0.25900  1.0 1.0
   69    71    78    81  -0.47000 -1.0 2.0
   69    71    78    81   0.11750  1.0 3.0
   69    73    79    80   3.00000 -1.0 2.0
   69    73    79    83   1.63150  1.0 1.0
   69    73    79    83   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.23400  1.0 3.0
   70    69    73    79   0.08050  1.0 3.0
   71    69    73    79  -0.25900  1.0 1.0
   71    69    73    79  -0.47000 -1.0 2.0
   71    69    73    79   0.11750  1.0 3.0
   71    78    81    82   3.00000 -1.0 2.0
   71    78    81    85   1.63150  1.0 1.0
   71    78    81    85   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    81   0.08050  1.0 3.0
   74    71    78    81  -0.25900  1.0 1.0
   74    71    78    81  -0.47000 -1.0 2.0
   74    71    78    81   0.11750  1.0 3.0
   78    71    74    75   0.23400  1.0 3.0
   78    71    74    76   0.23400  1.0 3.0
   78    71    74    77   0.23400  1.0 3.0
   78    81    85    86   0.00000  1.0 1.0
   78    81    85    93   0.36750  1.0 3.0
   78    81    85    96   0.40000  1.0 3.0
   81    85    93    94  -0.03800  1.0 3.0
   81    85    93    95  -0.03800  1.0 3.0
   81    85    93   103  -0.76350  1.0 1.0
   81    85    93   103   1.70300 -1.0 2.0
   81    85    96    97   0.17350  1.0 3.0
   81    85    96    98   0.17350  1.0 3.0
   81    85    96    99   0.17350  1.0 3.0
   82    81    85    86   0.00000  1.0 1.0
   82    81    85    93   0.00000  1.0 1.0
   82    81    85    96   0.00000  1.0 1.0
   85    93   103   104   0.15000  1.0 3.0
   85    93   103   105   0.15000  1.0 3.0
   85    93   103   109  -1.59250  1.0 1.0
   85    93   103   109  -0.41250 -1.0 2.0
   85    93   103   109   0.24650  1.0 3.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    95   0.15000  1.0 3.0
   86    85    93   103   0.15000  1.0 3.0
   86    85    96    97   0.13050  1.0 3.0
   86    85    96    98   0.13050  1.0 3.0
   86    85    96    99   0.13050  1.0 3.0
   93    85    96    97   0.17350  1.0 3.0
   93    85    96    98   0.17350  1.0 3.0
   93    85    96    99   0.17350  1.0 3.0
   93   103   109   110   0.27300 -1.0 2.0
   93   103   109   111   0.27300 -1.0 2.0
   94    93   103   104   0.15000  1.0 3.0
   94    93   103   105   0.15000  1.0 3.0
   94    93   103   109  -0.11250  1.0 3.0
   95    93   103   104   0.15000  1.0 3.0
   95    93   103   105   0.15000  1.0 3.0
   95    93   103   109  -0.11250  1.0 3.0
  104   103   109   110   0.00000  1.0 1.0
  104   103   109   111   0.00000  1.0 1.0
  105   103   109   110   0.00000  1.0 1.0
  105   103   109   111   0.00000  1.0 1.0
   96    85    93    94   0.23200  1.0 3.0
   96    85    93    95   0.23200  1.0 3.0
   96    85    93   103   1.79450  1.0 1.0
   96    85    93   103   1.06000 -1.0 2.0
   96    85    93   103  -0.53000  1.0 3.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    78   1.11900  1.0 1.0
   73    69    71    78  -1.16350 -1.0 2.0
   73    69    71    78  -0.34150  1.0 3.0
   73    79    83    84   0.00000  1.0 1.0
   73    79    83    87   0.36750  1.0 3.0
   73    79    83    90   0.40000  1.0 3.0
   79    83    87    88  -0.03800  1.0 3.0
   79    83    87    89  -0.03800  1.0 3.0
   79    83    87   100  -0.76350  1.0 1.0
   79    83    87   100   1.70300 -1.0 2.0
   79    83    90    91   0.21900  1.0 1.0
   79    83    90    91  -0.24900 -1.0 2.0
   79    83    90    91   0.15200  1.0 3.0
   79    83    90    92   0.21900  1.0 1.0
   79    83    90    92  -0.24900 -1.0 2.0
   79    83    90    92   0.15200  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    87   0.00000  1.0 1.0
   80    79    83    90   0.30150 -1.0 2.0
   83    87   100   101   0.15000  1.0 3.0
   83    87   100   102   0.15000  1.0 3.0
   83    87   100   106  -1.59250  1.0 1.0
   83    87   100   106  -0.41250 -1.0 2.0
   83    87   100   106   0.24650  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87   100   0.15000  1.0 3.0
   84    83    90    91   0.20000  1.0 3.0
   84    83    90    92   0.20000  1.0 3.0
   87    83    90    91  -0.05950  1.0 1.0
   87    83    90    91   0.08850 -1.0 2.0
   87    83    90    91   0.11750  1.0 3.0
   87    83    90    92  -0.05950  1.0 1.0
   87    83    90    92   0.08850 -1.0 2.0
   87    83    90    92   0.11750  1.0 3.0
   87   100   106   107   0.27300 -1.0 2.0
   87   100   106   108   0.27300 -1.0 2.0
   88    87   100   101   0.15000  1.0 3.0
   88    87   100   102   0.15000  1.0 3.0
   88    87   100   106  -0.11250  1.0 3.0
   89    87   100   101   0.15000  1.0 3.0
   89    87   100   102   0.15000  1.0 3.0
   89    87   100   106  -0.11250  1.0 3.0
  101   100   106   107   0.00000  1.0 1.0
  101   100   106   108   0.00000  1.0 1.0
  102   100   106   107   0.00000  1.0 1.0
  102   100   106   108   0.00000  1.0 1.0
   90    83    87    88   0.15000  1.0 3.0
   90    83    87    89   0.15000  1.0 3.0
   90    83    87   100   1.53400  1.0 1.0
   90    83    87   100  -0.09950 -1.0 2.0
   90    83    87   100   0.05700  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   53    48    52    54  10.50000 -1.0 2.0
   51    61    47    40   4.00000 -1.0 2.0
   55    67    51    47   4.00000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   61    62    58    56   4.00000 -1.0 2.0
   64    58    62    63   1.00000 -1.0 2.0
   65    60    59    57  10.50000 -1.0 2.0
   68    51    67    65   1.00000 -1.0 2.0
   78    85    81    82  10.50000 -1.0 2.0
  110   103   109   111  10.50000 -1.0 2.0
   73    83    79    80  10.50000 -1.0 2.0
  107   100   106   108  10.50000 -1.0 2.0
END
