* LIGAND DATABASE FILE (OPLS2005)
*
001     110   111    196    297     580
    1     0 S   NP   _N1_     1    33.40021   101.83317   -21.07389
    2     1 S   H    _HN1     2     1.03494   138.72018   -46.15431
    3     1 S   H    _H1_     3     1.02738    47.84109  -111.08750
    4     1 S   H    _H2_     4     1.02821   111.24557   153.90009
    5     1 S   CT   _CA1     5     1.50537    65.97213    50.34582
    6     5 S   HC   _HA1     6     1.09576   104.29597   164.66691
    7     5 S   CO3  _C1_     7     1.54315   112.11325    49.13914
    8     7 S   O2Z  _O11     8     1.26612   114.14971    40.44730
    9     7 S   O2Z  _O12     9     1.26102   116.56359  -139.41678
   10     5 S   CT   _CB1    10     1.53187   106.78651   -78.64105
   11    10 S   HC   HB11    11     1.09576   109.64929   -34.21696
   12    10 S   HC   HB12    12     1.09793   110.23449    81.22000
   13    10 S   CT   _CG1    13     1.53323   112.91322  -156.79605
   14    13 S   HC   HG11    14     1.09525   110.87895   -94.93924
   15    13 S   HC   HG12    15     1.09634   111.57462    24.44525
   16    13 S   C    _CD1    16     1.51606   110.24267   144.57432
   17    16 S   O    _OE1    17     1.22754   122.17621   103.11793
   18    16 S   N    _N2_    18     1.38365   112.18715   -75.50731
   19    18 S   H    _HN2    19     1.01918   118.40498     1.41693
   20    18 S   CT1  _CA2    20     1.45732   123.78282   173.70911
   21    20 S   HC   _HA2    21     1.09720   108.76519    22.73531
   22    20 S   C    _C2_    22     1.53344   109.13046   -92.76296
   23    22 S   O    _O2_    23     1.23221   120.72778   152.46965
   24    20 S   CT   _CB2    32     1.53297   111.46962   146.15787
   25    24 S   HC   HB21    33     1.09219   110.84692    43.59164
   26    24 S   HC   HB22    34     1.09567   110.11925   161.57978
   27    22 S   N    _N3_    24     1.38240   115.11622   -34.52673
   28    27 S   H    _HN3    25     1.01637   119.63218    -0.40878
   29    24 S   S    _SG2    35     1.83110   111.41622   -80.93760
   30    27 S   CT   _CA3    26     1.45318   123.04789  -176.73331
   31    30 S   HC   HA31    27     1.09563   108.39403   -42.13900
   32    30 S   HC   HA32    28     1.09562   106.97573    74.11605
   33    29 S   CT   _C13    36     1.86552   102.16819   120.79756
   34    33 S   OM   _O36    37     1.32235   108.76333   165.91860
   35    30 S   CO3  _C3_    29     1.53005   114.85891  -164.51475
   36    35 S   O2Z  _O31    30     1.26347   116.59608     5.75912
   37    35 S   O2Z  _O32    31     1.26508   114.27921  -174.78647
   38    33 S   CT   _C14    38     1.58848   108.67110   -76.00037
   39    38 S   HC   _H6_    39     1.09542   106.39013    61.34860
   40    33 S   OS   _O33    52     1.44824   113.17627    39.12031
   41    38 S   CT   _C15    40     1.55620   113.71212   175.92162
   42    41 S   HC   _H15    41     1.09616   109.07501   -47.73200
   43    41 S   HC   _H16    42     1.09756   110.41965    68.89117
   44    38 S   NT   _N8_    49     1.47396   114.16803   -56.59062
   45    44 S   H    _H19    50     1.01778   109.63617   164.21311
   46    44 S   H    _H20    51     1.01929   108.48751    48.03366
   47    40 S   CA   _C11    53     1.38275   123.14805    68.92089
   48    41 S   CT   _C16    43     1.53152   113.41256  -168.52441
   49    48 S   HC   _H17    44     1.09720   109.47828    47.27053
   50    48 S   HC   _H18    45     1.09633   109.89015   -70.48968
   51    47 S   CA   _C10    54     1.38416   115.22767   169.15701
   52    48 S   CO3  _C17    46     1.53308   115.37371   167.99562
   53    52 S   O2Z  _O35    47     1.26566   114.02223  -177.95627
   54    52 S   O2Z  _O34    48     1.26111   116.88542     1.69962
   55    51 S   CA   _C9_    55     1.38186   115.11599  -179.69610
   56    55 S   NB   _N6_    56     1.35086   123.16849    -0.88138
   57    55 S   NI   _N4_    62     1.40605   121.44694   178.68419
   58    56 S   CQ   _C12    57     1.34981   117.23508     0.19281
   59    57 S   CD   _C8_    63     1.29790   117.84686     1.19272
   60    59 S   HC   _H12    64     1.10326   117.59845   178.77507
   61    47 S   NB   _N5_    58     1.34770   121.10160   -11.79926
   62    58 S   NE   _N7_    59     1.38171   118.11409  -179.91844
   63    62 S   H    _H13    60     1.00907   119.63061    -0.17583
   64    62 S   H    _H14    61     1.00970   119.20207  -179.66839
   65    59 S   CT   _C7_    65     1.51509   125.95967     0.47188
   66    65 S   HC   _H5_    66     1.09715   106.12647   113.13666
   67    51 S   NE   _N9_    67     1.37435   123.22907    -1.79896
   68    67 S   H    _H21    68     1.01366   119.01259     4.53402
   69    65 S   CT   _C6_    69     1.54530   111.44011  -129.29353
   70    69 S   HC   _H4_    70     1.09863   108.36155   -60.21339
   71    69 S   CT   _C5_    71     1.54499   115.26037    59.49736
   72    71 S   HC   _H3_    72     1.09591   108.87011   -56.74122
   73    69 S   OS   _O37    94     1.44979   108.08183  -178.91754
   74    71 S   CT   _C4_    73     1.52760   111.52470  -176.17208
   75    74 S   HC   _H9_    74     1.09542   111.40510   -63.72945
   76    74 S   HC   _H10    75     1.09410   111.30765    57.95874
   77    74 S   HC   _H11    76     1.09562   110.21952   178.32042
   78    71 S   OS   _O41    77     1.44150   110.18146    65.54212
   79    73 S   CO4  _C18    95     1.36491   118.20125    86.70980
   80    79 S   O    _O38    96     1.22390   125.31891     9.04003
   81    78 S   CO4  _C23    78     1.36571   118.09130  -134.70455
   82    81 S   O    _O42    79     1.22406   125.69140     3.15151
   83    79 S   CT1  _C19    97     1.52415   109.01059  -169.67730
   84    83 S   HC   _H7_    98     1.09651   107.69259   -53.38361
   85    81 S   CT1  _C24    80     1.51972   108.90306  -175.80782
   86    85 S   HC   _H8_    81     1.09509   107.75127   -38.42339
   87    83 S   CTJ  _C20    99     1.53739   111.03597    66.75312
   88    87 S   HC   _H22   100     1.09817   109.11475  -174.54878
   89    87 S   HC   _H23   101     1.09657   109.01496   -59.37204
   90    83 S   NT   _N10   108     1.46452   109.03055  -170.27548
   91    90 S   H    _H26   109     1.01937   109.32364   178.27796
   92    90 S   H    _H27   110     1.01925   109.55705    62.06917
   93    85 S   CTJ  _C25    82     1.53534   111.34884    81.10878
   94    93 S   HC   _H28    83     1.09805   108.78114  -173.79262
   95    93 S   HC   _H29    84     1.09797   108.95373   -58.45116
   96    85 S   NT   _N11    91     1.46513   108.87027  -154.70140
   97    96 S   H    _H32    92     1.02039   108.79977   177.37199
   98    96 S   H    _H33    93     1.02055   109.09236    63.02614
   99    87 S   CTI  _C21   102     1.53048   114.27093    63.37738
  100    99 S   HC   _H24   103     1.09565   111.00872   -39.97891
  101    99 S   HC   _H25   104     1.09604   110.50966    78.90745
  102    93 S   CTI  _C26    85     1.53083   114.64880    63.74815
  103   102 S   HC   _H30    86     1.09652   109.75561   -59.20524
  104   102 S   HC   _H31    87     1.09651   109.96211    58.75252
  105    99 S   CO3  _C22   105     1.52755   110.98890  -160.71452
  106   105 S   O2Z  _O40   106     1.26343   114.76306   127.66696
  107   105 S   O2Z  _O39   107     1.26303   115.92225   -53.02811
  108   102 S   CO3  _C27    88     1.53274   115.35283   179.80218
  109   108 S   O2Z  _O44    89     1.26571   114.02488   178.32462
  110   108 S   O2Z  _O43    90     1.26101   116.79728    -1.70800
  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
  10   4  11   7  11   7  11   6   5   3   1   1  11   6   5   3
   1   1   5   4   3   5   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    44    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    44    45    46    40    47    51    61  
   38    39    41    44    40    47  
   36    37  
   37  
    0  
   39    41    42    43    48    49    50    52    44    45    46    40    47  
   41    42    43    48    44    45    46    40  
   47    51    55    58    61    67    41    44  
   42    43    48    49    50    52    53    54    44    45    46  
   43    48    49    50    52    44  
   48    49    50    52    44  
   45    46    48  
   46  
    0  
   51    55    56    58    61    62    57    65    67    68  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    58    61    57    59    65    66    67    68    69  
   53    54  
   54  
    0  
   56    58    61    62    57    59    60    65    67    68  
   58    61    62    63    64    57    59    67  
   59    60    65    66    67    69    58  
   61    62    63    64  
   60    65    66    67    68    69    70    71    73  
   65    66    67    69  
   62    63    64    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74    78    73    79  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69  
   70    71    72    74    75    76    77    78    81    73    79    80    83  
   71    72    74    78    73    79  
   72    74    75    76    77    78    81    82    85    73    79  
   74    75    76    77    78    81    73  
   79    80    83    84    87    90    74    78  
   75    76    77    78    81  
   76    77    78  
   77    78  
   78  
   81    82    85    86    93    96  
   80    83    84    87    88    89    99    90    91    92  
   83    84    87    90  
   82    85    86    93    94    95   102    96    97    98  
   85    86    93    96  
   84    87    88    89    99   100   101   105    90    91    92  
   87    88    89    99    90    91    92  
   86    93    94    95   102   103   104   108    96    97    98  
   93    94    95   102    96    97    98  
   88    89    99   100   101   105   106   107    90    91    92  
   89    99   100   101   105    90  
   99   100   101   105    90  
   91    92    99  
   92  
    0  
   94    95   102   103   104   108   109   110    96    97    98  
   95   102   103   104   108    96  
  102   103   104   108    96  
   97    98   102  
   98  
    0  
  100   101   105   106   107  
  101   105   106   107  
  105   106   107  
  103   104   108   109   110  
  104   108   109   110  
  108   109   110  
  106   107  
  107  
    0  
  109   110  
  110  
    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   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   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   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   97   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   98   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  108   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  110   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   305.000  1.457
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   108   317.000  1.522
  108   109   656.000  1.250
  108   110   656.000  1.250
   96    97   434.000  1.010
   96    98   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    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   105   317.000  1.522
  105   106   656.000  1.250
  105   107   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    75.00000  112.91400
   85    81    82    75.00000  123.42600
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93   102    58.35000  112.70000
   85    96    97    50.00000  111.55300
   85    96    98    50.00000  111.55300
   93    85    86    37.50000  110.70000
   93   102   103    37.50000  110.70000
   93   102   104    37.50000  110.70000
   93   102   108    63.00000  111.10000
   95    93    94    33.00000  107.80000
  102    93    94    37.50000  110.70000
  102    93    95    37.50000  110.70000
  102   108   109    70.00000  117.00000
  102   108   110    70.00000  117.00000
  104   102   103    33.00000  107.80000
  108   102   103    35.00000  109.50000
  108   102   104    35.00000  109.50000
  110   108   109    80.00000  126.00000
   96    85    86    50.00000  109.55000
   96    85    93    80.00000  111.22000
   98    96    97    43.60000  106.40000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    83    90.00000  109.72300
   79    83    84    45.00000  110.09800
   79    83    87    65.00000  117.82000
   79    83    90    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    99    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    99   100    37.50000  110.70000
   87    99   101    37.50000  110.70000
   87    99   105    63.00000  111.10000
   89    87    88    33.00000  107.80000
   99    87    88    37.50000  110.70000
   99    87    89    37.50000  110.70000
   99   105   106    70.00000  117.00000
   99   105   107    70.00000  117.00000
  101    99   100    33.00000  107.80000
  105    99   100    35.00000  109.50000
  105    99   101    35.00000  109.50000
  107   105   106    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   102  -0.76350  1.0 1.0
   81    85    93   102   1.70300 -1.0 2.0
   81    85    96    97   0.21900  1.0 1.0
   81    85    96    97  -0.24900 -1.0 2.0
   81    85    96    97   0.15200  1.0 3.0
   81    85    96    98   0.21900  1.0 1.0
   81    85    96    98  -0.24900 -1.0 2.0
   81    85    96    98   0.15200  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   0.30150 -1.0 2.0
   85    93   102   103   0.15000  1.0 3.0
   85    93   102   104   0.15000  1.0 3.0
   85    93   102   108  -1.59250  1.0 1.0
   85    93   102   108  -0.41250 -1.0 2.0
   85    93   102   108   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   102   0.15000  1.0 3.0
   86    85    96    97   0.20000  1.0 3.0
   86    85    96    98   0.20000  1.0 3.0
   93    85    96    97  -0.05950  1.0 1.0
   93    85    96    97   0.08850 -1.0 2.0
   93    85    96    97   0.11750  1.0 3.0
   93    85    96    98  -0.05950  1.0 1.0
   93    85    96    98   0.08850 -1.0 2.0
   93    85    96    98   0.11750  1.0 3.0
   93   102   108   109   0.27300 -1.0 2.0
   93   102   108   110   0.27300 -1.0 2.0
   94    93   102   103   0.15000  1.0 3.0
   94    93   102   104   0.15000  1.0 3.0
   94    93   102   108  -0.11250  1.0 3.0
   95    93   102   103   0.15000  1.0 3.0
   95    93   102   104   0.15000  1.0 3.0
   95    93   102   108  -0.11250  1.0 3.0
  103   102   108   109   0.00000  1.0 1.0
  103   102   108   110   0.00000  1.0 1.0
  104   102   108   109   0.00000  1.0 1.0
  104   102   108   110   0.00000  1.0 1.0
   96    85    93    94   0.15000  1.0 3.0
   96    85    93    95   0.15000  1.0 3.0
   96    85    93   102   1.53400  1.0 1.0
   96    85    93   102  -0.09950 -1.0 2.0
   96    85    93   102   0.05700  1.0 3.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    78   1.11900  1.0 1.0
   73    69    71    78  -1.16350 -1.0 2.0
   73    69    71    78  -0.34150  1.0 3.0
   73    79    83    84   0.00000  1.0 1.0
   73    79    83    87   0.36750  1.0 3.0
   73    79    83    90   0.40000  1.0 3.0
   79    83    87    88  -0.03800  1.0 3.0
   79    83    87    89  -0.03800  1.0 3.0
   79    83    87    99  -0.76350  1.0 1.0
   79    83    87    99   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    99   100   0.15000  1.0 3.0
   83    87    99   101   0.15000  1.0 3.0
   83    87    99   105  -1.59250  1.0 1.0
   83    87    99   105  -0.41250 -1.0 2.0
   83    87    99   105   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    99   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    99   105   106   0.27300 -1.0 2.0
   87    99   105   107   0.27300 -1.0 2.0
   88    87    99   100   0.15000  1.0 3.0
   88    87    99   101   0.15000  1.0 3.0
   88    87    99   105  -0.11250  1.0 3.0
   89    87    99   100   0.15000  1.0 3.0
   89    87    99   101   0.15000  1.0 3.0
   89    87    99   105  -0.11250  1.0 3.0
  100    99   105   106   0.00000  1.0 1.0
  100    99   105   107   0.00000  1.0 1.0
  101    99   105   106   0.00000  1.0 1.0
  101    99   105   107   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    99   1.53400  1.0 1.0
   90    83    87    99  -0.09950 -1.0 2.0
   90    83    87    99   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
  109   102   108   110  10.50000 -1.0 2.0
   73    83    79    80  10.50000 -1.0 2.0
  106    99   105   107  10.50000 -1.0 2.0
END
