* LIGAND DATABASE FILE (OPLS2005)
*
001     104   107    201    331     610
    1     0 S   NP   _N1_     1    29.19081    98.29936   -25.41478
    2     1 S   H    _HN1     2     1.02948    57.86667     1.93492
    3     1 S   H    _H1_     3     1.02826    49.23910  -179.54846
    4     1 S   H    _H2_     4     1.02797   120.46889   -91.63897
    5     1 S   CT   _CA1     5     1.50136   127.15695    94.26168
    6     5 S   HC   _HA1     6     1.09575   105.14452   113.18285
    7     5 S   CO3  _C1_     7     1.53761   112.48234    -6.99479
    8     7 S   O2Z  _O11     8     1.26378   115.00500   -41.99768
    9     7 S   O2Z  _O12     9     1.26237   114.94309   136.96472
   10     5 S   CT   _CB1    10     1.53049   107.38800  -128.86596
   11    10 S   HC   HB11    11     1.09845   109.28962   -49.29719
   12    10 S   HC   HB12    12     1.09811   110.48473    67.27842
   13    10 S   CT   _CG1    13     1.53033   112.67940  -170.23298
   14    13 S   HC   HG11    14     1.09564   110.75731   -68.23675
   15    13 S   HC   HG12    15     1.09668   109.68805    51.03210
   16    13 S   C    _CD1    16     1.51804   111.88351   171.50128
   17    16 S   O    _OE1    17     1.22776   123.14518    13.91770
   18    16 S   N    _N2_    18     1.38637   111.92557  -166.03468
   19    18 S   H    _HN2    19     1.01574   119.08072     0.72416
   20    18 S   CT1  _CA2    20     1.46166   123.25856   176.04948
   21    20 S   HC   _HA2    21     1.09683   109.13875     8.19122
   22    20 S   C    _C2_    22     1.53558   108.52868  -107.11820
   23    22 S   O    _O2_    23     1.23037   122.40605  -144.33706
   24    20 S   CT   _CB2    32     1.53235   111.87766   130.05248
   25    24 S   HC   HB21    33     1.09492   110.38768    56.25872
   26    24 S   HC   HB22    34     1.09496   109.74744   175.35957
   27    22 S   N    _N3_    24     1.38356   113.65333    43.04870
   28    27 S   H    _HN3    25     1.01542   119.65515    -2.65483
   29    24 S   S    _SG2    35     1.82753   111.10294   -64.93814
   30    27 S   CT   _CA3    26     1.45271   123.25488   177.22413
   31    30 S   HC   HA31    27     1.09546   107.45378   -66.51145
   32    30 S   HC   HA32    28     1.09555   108.07146    49.96790
   33    29 S   CT   _C11    36     1.85761   100.03624  -171.56972
   34    33 S   HC   _H4_    37     1.09299   105.37235    14.47824
   35    30 S   CO3  _C3_    29     1.52976   114.02235   172.05349
   36    35 S   O2Z  _O31    30     1.26388   116.08859     0.56579
   37    35 S   O2Z  _O32    31     1.26428   114.42852  -179.37130
   38    33 S   CO3  _C12    38     1.56116    97.68600   -95.65655
   39    38 S   O2Z  _O34    39     1.26405   116.21912   -93.42262
   40    38 S   O2Z  _O33    40     1.26717   114.92548    87.70978
   41    33 S   CT   _C10    41     1.60996   119.13571   134.73174
   42    41 S   CT   _C9_    42     1.64012   114.33952   -43.04181
   43    41 S   CT   _C5_    59     1.66227   109.35661  -167.51132
   44    41 S   OH   _O35   103     1.43374   107.76182    74.49244
   45    44 S   HO   _H15   104     0.97407   108.38693    50.23416
   46    42 S   CO4  _C13    43     1.56553   112.96379    58.93751
   47    46 S   O    _O36    44     1.23706   121.19118    43.78419
   48    43 S   CT   _C4_    60     1.55857   111.70383   -41.92558
   49    48 S   HC   _H8_    61     1.09343   112.06599   -58.93751
   50    48 S   HC   _H9_    62     1.09422   111.82819  -179.39477
   51    48 S   HC   _H10    63     1.09210   112.21012    64.54753
   52    43 S   CT   _C25    64     1.58878   113.98885  -161.17847
   53    52 S   HC   _H7_    65     1.08350   110.01425   -56.16129
   54    42 S   CT   _C24    99     1.56104   112.45127   169.28755
   55    54 S   HC   _H29   100     1.08953   113.63704    94.22542
   56    54 S   HC   _H30   101     1.09478   111.91907   -29.32307
   57    54 S   HC   _H31   102     1.09643   112.86517  -146.21835
   58    46 S   CT   _C14    45     1.52564   120.10202  -146.66227
   59    58 S   HC   _H16    46     1.09643   107.70021   152.57188
   60    58 S   HC   _H17    47     1.09335   108.23083   -91.42476
   61    52 S   C5BC _C26    66     1.51033   116.68046  -174.48751
   62    52 S   OH   _O42    74     1.43149   109.81960    60.01197
   63    62 S   HO   _H35    75     0.97227   107.55003  -170.72651
   64    58 S   CT   _C15    48     1.51019   111.27389    32.71127
   65    64 S   HC   _H5_    49     1.10121   104.68541    59.65488
   66    61 S   C5BC _C27    67     1.42644   128.15304   -91.71936
   67    66 S   HA   _H32    68     1.08104   127.29155     1.81801
   68    64 S   CT   _C16    50     1.54662   113.61115   -56.53656
   69    66 S   C5A  _C28    69     1.37429   106.72997  -178.37225
   70    69 S   HA   _H33    70     1.08023   133.82659  -179.61184
   71    42 S   CT   _C8_    51     1.57795   107.30121   -66.44673
   72    71 S   HC   _H3_    52     1.09863   105.56107    50.58403
   73    69 S   OA   _O41    71     1.35633   110.46198     0.87715
   74    68 S   CT   _C17    76     1.55762    96.92143  -172.79399
   75    74 S   HC   _H6_    77     1.09787   109.51089   -71.81307
   76    68 S   CT   _C23    94     1.55276   113.74712   -57.89966
   77    76 S   HC   _H26    95     1.08889   112.79329    49.09512
   78    76 S   HC   _H27    96     1.09319   111.36483   -70.17407
   79    71 S   CT   _C7_    53     1.53577   111.51340   -60.65890
   80    79 S   HC   _H13    54     1.09088   112.76252   -63.74903
   81    79 S   HC   _H14    55     1.09289   109.79475   177.61854
   82    61 S   C5A  _C29    72     1.38284   126.93152    91.85624
   83    82 S   HA   _H34    73     1.08076   133.38242    -1.71018
   84    74 S   OS   _O37    78     1.45900   104.07614    42.21951
   85    74 S   CT   _C21    88     1.52790   118.46625   160.44571
   86    85 S   HC   _H24    89     1.09260   111.08539    45.65281
   87    85 S   HC   _H25    90     1.09742   110.04332   -73.60974
   88    76 S   OH   _O40    97     1.42029   112.24728   170.83715
   89    88 S   HO   _H28    98     0.97233   107.23272   176.50526
   90    79 S   CT   _C6_    56     1.52693   111.58596    59.75406
   91    90 S   HC   _H11    57     1.09785   107.46799    66.35383
   92    90 S   HC   _H12    58     1.09568   108.78029   178.23508
   93    64 S   CT   _C18    79     1.53119   120.26172   176.99313
   94    85 S   CO3  _C22    91     1.53498   115.70226   166.15909
   95    94 S   O2Z  _O39    92     1.26076   117.01699    -7.73675
   96    94 S   O2Z  _O38    93     1.26605   113.88766   172.83308
   97    93 S   CT   _C19    80     1.52873   115.65088    32.19811
   98    97 S   HC   _H18    81     1.09632   110.53161   172.35746
   99    97 S   HC   _H19    82     1.09166   112.61843    54.13182
  100    97 S   HC   _H20    83     1.09504   111.49698   -67.27798
  101    93 S   CT   _C20    84     1.53474   111.39252   -92.21043
  102   101 S   HC   _H21    85     1.09617   110.80563  -176.05305
  103   101 S   HC   _H22    86     1.09470   111.56297    62.92078
  104   101 S   HC   _H23    87     1.09602   111.14648   -58.57904
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   6   2   1  26  24  22   7   1  15   6  11
   4   3   2  14   6   8   3   2   1  12   5   4  10   4   1  22
   8   6   4  21   4   2  16   6   2  16   7   8   3   2   5   4
   3   1   1  13   6   4   3   1   1   2   1   1   8   2   1   1
   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    71    90    43    48    52    54    44    45  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    46    47    58    68    71    72    79    90    91    92    43    48    49    50    51    52    53    61    62    54    55    56    57    44    45  
   46    47    58    59    60    64    68    71    72    79    80    81    90    43    48    52    74    76    54    55    56    57    44    45  
   48    49    50    51    52    53    61    66    82    62    63    54    44    45    46    71    79    80    81    90    91    92  
   45    46    48    52    54    71    90  
    0  
   47    58    59    60    64    65    68    71    72    79    93    54    55    56    57  
   58    59    60    64    71    54  
   49    50    51    52    53    61    62    79    90    91    92  
   50    51    52    90  
   51    52    90  
   52    90  
   53    61    66    67    69    73    82    83    62    63    79    90    91    92  
   61    66    82    62    63    90  
   55    56    57    58    68    71    72    79  
   56    57    71  
   57    71  
   71  
   59    60    64    65    68    71    74    84    93    97   101    76  
   60    64    65    68    93  
   64    65    68    93  
   66    67    69    70    73    82    83    62    63    90  
   63    66    82    90  
    0  
   65    68    71    72    79    74    75    84    93    97    98    99   100   101   102   103   104    85    76    77    78    88  
   68    71    74    84    93    97   101    76  
   67    69    70    73    82    83  
   69    70    73    82  
   71    72    79    80    81    90    74    75    84    93    97   101    85    86    87    94    76    77    78    88    89  
   70    73    82    83  
   73    82  
   72    79    80    81    90    91    92    74    75    84    93    85    76    77    78    88  
   79    80    81    90    74    76  
   82    83  
   75    84    93    97   101    85    86    87    94    95    96    76    77    78    88    79  
   84    93    85    86    87    94    76  
   77    78    88    89    79    84    85    93  
   78    88    89  
   88    89  
   80    81    90    91    92  
   81    90    91    92  
   90    91    92  
   83  
    0  
   93    97    98    99   100   101   102   103   104    85    86    87    94  
   86    87    94    95    96    93  
   87    94    95    96  
   94    95    96  
   89  
    0  
   91    92  
   92  
    0  
   97    98    99   100   101   102   103   104  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   268.000  1.529
   41    43   268.000  1.529
   41    44   320.000  1.410
   42    46   317.000  1.522
   42    71   268.000  1.529
   42    54   268.000  1.529
   46    47   570.000  1.229
   46    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    93   268.000  1.529
   68    71   268.000  1.529
   68    74   268.000  1.529
   68    76   268.000  1.529
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    43   268.000  1.529
   43    48   268.000  1.529
   43    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    61   285.000  1.502
   52    62   320.000  1.410
   61    66   469.000  1.424
   61    82   546.000  1.367
   66    67   367.000  1.080
   66    69   546.000  1.367
   69    70   367.000  1.080
   69    73   340.000  1.360
   73    82   340.000  1.360
   82    83   367.000  1.080
   62    63   553.000  0.945
   74    75   340.000  1.090
   74    84   320.000  1.410
   74    85   268.000  1.529
   84    93   320.000  1.410
   93    97   268.000  1.529
   93   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    94   317.000  1.522
   94    95   656.000  1.250
   94    96   656.000  1.250
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    88   320.000  1.410
   88    89   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    58.35000  112.70000
   33    41    43    58.35000  112.70000
   33    41    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    42    46    63.00000  111.10000
   41    42    71    58.35000  112.70000
   41    42    54    58.35000  112.70000
   41    43    90    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    43    52    58.35000  112.70000
   41    44    45    55.00000  108.50000
   42    46    47    80.00000  120.40000
   42    46    58    70.00000  116.00000
   42    71    68    58.35000  112.70000
   42    71    72    37.50000  110.70000
   42    71    79    58.35000  112.70000
   42    54    55    37.50000  110.70000
   42    54    56    37.50000  110.70000
   42    54    57    37.50000  110.70000
   46    58    59    35.00000  109.50000
   46    58    60    35.00000  109.50000
   46    58    64    63.00000  111.10000
   58    46    47    80.00000  120.40000
   58    64    65    37.50000  110.70000
   58    64    68    58.35000  112.70000
   58    64    93    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    68    74    58.35000  112.70000
   64    68    76    58.35000  112.70000
   64    93    84    50.00000  109.50000
   64    93    97    58.35000  112.70000
   64    93   101    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    79    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    84    50.00000  109.50000
   68    74    85    58.35000  112.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    88    50.00000  109.50000
   71    42    46    63.00000  111.10000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    90    58.35000  112.70000
   79    71    72    37.50000  110.70000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    43    58.35000  112.70000
   81    79    80    33.00000  107.80000
   90    79    80    37.50000  110.70000
   90    79    81    37.50000  110.70000
   90    43    48    58.35000  112.70000
   90    43    52    58.35000  112.70000
   92    90    91    33.00000  107.80000
   43    41    42    58.35000  112.70000
   43    90    91    37.50000  110.70000
   43    90    92    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    61    70.00000  112.17500
   43    52    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    48    58.35000  112.70000
   52    61    66    60.00000  130.00000
   52    61    82    60.00000  130.00000
   52    62    63    55.00000  108.50000
   61    52    53    35.00000  109.50000
   61    66    67    35.00000  127.50000
   61    66    69    70.00000  107.30000
   61    82    73    70.00000  110.60000
   61    82    83    35.00000  132.10000
   66    69    70    35.00000  132.10000
   66    69    73    70.00000  110.60000
   69    66    67    35.00000  125.70000
   69    73    82    70.00000  106.50000
   73    69    70    35.00000  113.40000
   73    82    83    35.00000  113.40000
   82    61    66    70.00000  107.30000
   62    52    53    35.00000  109.50000
   62    52    61    90.00000  112.51600
   74    68    71    58.35000  112.70000
   74    84    93    60.00000  109.50000
   74    85    86    37.50000  110.70000
   74    85    87    37.50000  110.70000
   74    85    94    70.00000  109.69300
   84    74    75    35.00000  109.50000
   84    93    97    50.00000  109.50000
   84    93   101    50.00000  109.50000
   93    64    65    37.50000  110.70000
   93    64    68    58.35000  112.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   93   101   102    37.50000  110.70000
   93   101   103    37.50000  110.70000
   93   101   104    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    93    97    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   85    74    75    37.50000  110.70000
   85    74    84    50.00000  109.50000
   85    94    95    70.00000  117.00000
   85    94    96    70.00000  117.00000
   87    85    86    33.00000  107.80000
   94    85    86    35.00000  109.50000
   94    85    87    35.00000  109.50000
   96    94    95    80.00000  126.00000
   76    68    71    58.35000  112.70000
   76    68    74    58.35000  112.70000
   76    88    89    55.00000  108.50000
   78    76    77    33.00000  107.80000
   88    76    77    35.00000  109.50000
   88    76    78    35.00000  109.50000
   54    42    46    63.00000  111.10000
   54    42    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    41    42    50.00000  109.50000
   44    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.44750  1.0 1.0
   29    33    41    42  -0.17800 -1.0 2.0
   29    33    41    42   0.20200  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    42    46  -0.95700  1.0 1.0
   33    41    42    46  -0.18200 -1.0 2.0
   33    41    42    46   0.29450  1.0 3.0
   33    41    42    71   0.56750  1.0 1.0
   33    41    42    71  -0.07550 -1.0 2.0
   33    41    42    71   0.20000  1.0 3.0
   33    41    42    54   0.56750  1.0 1.0
   33    41    42    54  -0.07550 -1.0 2.0
   33    41    42    54   0.20000  1.0 3.0
   33    41    43    90   0.56750  1.0 1.0
   33    41    43    90  -0.07550 -1.0 2.0
   33    41    43    90   0.20000  1.0 3.0
   33    41    43    48   0.56750  1.0 1.0
   33    41    43    48  -0.07550 -1.0 2.0
   33    41    43    48   0.20000  1.0 3.0
   33    41    43    52   0.56750  1.0 1.0
   33    41    43    52  -0.07550 -1.0 2.0
   33    41    43    52   0.20000  1.0 3.0
   33    41    44    45  -0.11600  1.0 1.0
   33    41    44    45  -0.09450 -1.0 2.0
   33    41    44    45   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    42  -1.63150  1.0 1.0
   38    33    41    42  -0.43550 -1.0 2.0
   38    33    41    42   0.24500  1.0 3.0
   38    33    41    43  -1.63150  1.0 1.0
   38    33    41    43  -0.43550 -1.0 2.0
   38    33    41    43   0.24500  1.0 3.0
   38    33    41    44  -5.33000  1.0 1.0
   38    33    41    44  -0.54250 -1.0 2.0
   38    33    41    44  -0.07300  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    42    46    47   0.30150 -1.0 2.0
   41    42    46    58   0.60050  1.0 1.0
   41    42    46    58   0.05600 -1.0 2.0
   41    42    46    58   0.26150  1.0 3.0
   41    42    71    68   0.56750  1.0 1.0
   41    42    71    68  -0.07550 -1.0 2.0
   41    42    71    68   0.20000  1.0 3.0
   41    42    71    72   0.15000  1.0 3.0
   41    42    71    79   0.56750  1.0 1.0
   41    42    71    79  -0.07550 -1.0 2.0
   41    42    71    79   0.20000  1.0 3.0
   41    42    54    55   0.15000  1.0 3.0
   41    42    54    56   0.15000  1.0 3.0
   41    42    54    57   0.15000  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    51   0.15000  1.0 3.0
   41    43    52    53   0.15000  1.0 3.0
   41    43    52    61  -0.03700  1.0 1.0
   41    43    52    61   0.37200 -1.0 2.0
   41    43    52    61  -0.47300  1.0 3.0
   41    43    52    62   0.86500  1.0 1.0
   41    43    52    62  -0.17500 -1.0 2.0
   41    43    52    62   0.20800  1.0 3.0
   42    41    43    90   0.56750  1.0 1.0
   42    41    43    90  -0.07550 -1.0 2.0
   42    41    43    90   0.20000  1.0 3.0
   42    41    43    48   0.56750  1.0 1.0
   42    41    43    48  -0.07550 -1.0 2.0
   42    41    43    48   0.20000  1.0 3.0
   42    41    43    52   0.56750  1.0 1.0
   42    41    43    52  -0.07550 -1.0 2.0
   42    41    43    52   0.20000  1.0 3.0
   42    41    44    45  -0.11600  1.0 1.0
   42    41    44    45  -0.09450 -1.0 2.0
   42    41    44    45   0.21250  1.0 3.0
   42    46    58    59   0.00000  1.0 1.0
   42    46    58    60   0.00000  1.0 1.0
   42    46    58    64   0.60050  1.0 1.0
   42    46    58    64   0.05600 -1.0 2.0
   42    46    58    64   0.26150  1.0 3.0
   42    71    79    80   0.15000  1.0 3.0
   42    71    79    81   0.15000  1.0 3.0
   42    71   -79    90   0.56750  1.0 1.0
   42    71   -79    90  -0.07550 -1.0 2.0
   42    71   -79    90   0.20000  1.0 3.0
   46    42    71    68  -0.95700  1.0 1.0
   46    42    71    68  -0.18200 -1.0 2.0
   46    42    71    68   0.29450  1.0 3.0
   46    42    71    72  -0.11250  1.0 3.0
   46    42    71    79  -0.95700  1.0 1.0
   46    42    71    79  -0.18200 -1.0 2.0
   46    42    71    79   0.29450  1.0 3.0
   46    42    54    55  -0.11250  1.0 3.0
   46    42    54    56  -0.11250  1.0 3.0
   46    42    54    57  -0.11250  1.0 3.0
   46    58    64    65  -0.11250  1.0 3.0
   46    58   -64    68  -0.95700  1.0 1.0
   46    58   -64    68  -0.18200 -1.0 2.0
   46    58   -64    68   0.29450  1.0 3.0
   46    58    64    93  -0.95700  1.0 1.0
   46    58    64    93  -0.18200 -1.0 2.0
   46    58    64    93   0.29450  1.0 3.0
   47    46    58    59   0.00000  1.0 1.0
   47    46    58    60   0.00000  1.0 1.0
   47    46    58    64   0.30150 -1.0 2.0
   58    64    68    71   0.56750  1.0 1.0
   58    64    68    71  -0.07550 -1.0 2.0
   58    64    68    71   0.20000  1.0 3.0
   58    64    68    74   0.56750  1.0 1.0
   58    64    68    74  -0.07550 -1.0 2.0
   58    64    68    74   0.20000  1.0 3.0
   58    64    68    76   0.56750  1.0 1.0
   58    64    68    76  -0.07550 -1.0 2.0
   58    64    68    76   0.20000  1.0 3.0
   58    64    93    84   0.62750  1.0 1.0
   58    64    93    84  -0.30950 -1.0 2.0
   58    64    93    84   0.27300  1.0 3.0
   58    64    93    97   0.56750  1.0 1.0
   58    64    93    97  -0.07550 -1.0 2.0
   58    64    93    97   0.20000  1.0 3.0
   58    64    93   101   0.56750  1.0 1.0
   58    64    93   101  -0.07550 -1.0 2.0
   58    64    93   101   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    68   0.15000  1.0 3.0
   59    58    64    93   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    68   0.15000  1.0 3.0
   60    58    64    93   0.15000  1.0 3.0
   64    68   -71    42   0.56750  1.0 1.0
   64    68   -71    42  -0.07550 -1.0 2.0
   64    68   -71    42   0.20000  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    79   0.56750  1.0 1.0
   64    68    71    79  -0.07550 -1.0 2.0
   64    68    71    79   0.20000  1.0 3.0
   64    68    74    75   0.15000  1.0 3.0
   64    68   -74    84   0.62750  1.0 1.0
   64    68   -74    84  -0.30950 -1.0 2.0
   64    68   -74    84   0.27300  1.0 3.0
   64    68    74    85   0.56750  1.0 1.0
   64    68    74    85  -0.07550 -1.0 2.0
   64    68    74    85   0.20000  1.0 3.0
   64    68    76    77   0.15000  1.0 3.0
   64    68    76    78   0.15000  1.0 3.0
   64    68    76    88   0.86500  1.0 1.0
   64    68    76    88  -0.17500 -1.0 2.0
   64    68    76    88   0.20800  1.0 3.0
   64    93    97    98   0.15000  1.0 3.0
   64    93    97    99   0.15000  1.0 3.0
   64    93    97   100   0.15000  1.0 3.0
   64    93   101   102   0.15000  1.0 3.0
   64    93   101   103   0.15000  1.0 3.0
   64    93   101   104   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    74   0.15000  1.0 3.0
   65    64    68    76   0.15000  1.0 3.0
   65    64    93    84   0.23400  1.0 3.0
   65    64    93    97   0.15000  1.0 3.0
   65    64    93   101   0.15000  1.0 3.0
   68    64   -93    84   0.62750  1.0 1.0
   68    64   -93    84  -0.30950 -1.0 2.0
   68    64   -93    84   0.27300  1.0 3.0
   68    64    93    97   0.56750  1.0 1.0
   68    64    93    97  -0.07550 -1.0 2.0
   68    64    93    97   0.20000  1.0 3.0
   68    64    93   101   0.56750  1.0 1.0
   68    64    93   101  -0.07550 -1.0 2.0
   68    64    93   101   0.20000  1.0 3.0
   68    71    79    80   0.15000  1.0 3.0
   68    71    79    81   0.15000  1.0 3.0
   68    71    79    90   0.56750  1.0 1.0
   68    71    79    90  -0.07550 -1.0 2.0
   68    71    79    90   0.20000  1.0 3.0
   68    74   -84    93   0.06250  1.0 1.0
   68    74   -84    93  -0.01100 -1.0 2.0
   68    74   -84    93   0.28050  1.0 3.0
   68    74    85    86   0.15000  1.0 3.0
   68    74    85    87   0.15000  1.0 3.0
   68    74    85    94  -1.63150  1.0 1.0
   68    74    85    94  -0.43550 -1.0 2.0
   68    74    85    94   0.24500  1.0 3.0
   68    76    88    89  -0.11600  1.0 1.0
   68    76    88    89  -0.09450 -1.0 2.0
   68    76    88    89   0.21250  1.0 3.0
   71    42    46    47   0.30150 -1.0 2.0
   71    42   -46    58   0.60050  1.0 1.0
   71    42   -46    58   0.05600 -1.0 2.0
   71    42   -46    58   0.26150  1.0 3.0
   71    42    54    55   0.15000  1.0 3.0
   71    42    54    56   0.15000  1.0 3.0
   71    42    54    57   0.15000  1.0 3.0
   71    68    74    75   0.15000  1.0 3.0
   71    68    74    84   0.62750  1.0 1.0
   71    68    74    84  -0.30950 -1.0 2.0
   71    68    74    84   0.27300  1.0 3.0
   71    68    74    85   0.56750  1.0 1.0
   71    68    74    85  -0.07550 -1.0 2.0
   71    68    74    85   0.20000  1.0 3.0
   71    68    76    77   0.15000  1.0 3.0
   71    68    76    78   0.15000  1.0 3.0
   71    68    76    88   0.86500  1.0 1.0
   71    68    76    88  -0.17500 -1.0 2.0
   71    68    76    88   0.20800  1.0 3.0
   71    79    90    91   0.15000  1.0 3.0
   71    79    90    92   0.15000  1.0 3.0
   71    79    90    43   0.56750  1.0 1.0
   71    79    90    43  -0.07550 -1.0 2.0
   71    79    90    43   0.20000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    90   0.15000  1.0 3.0
   79    90   -43    41   0.56750  1.0 1.0
   79    90   -43    41  -0.07550 -1.0 2.0
   79    90   -43    41   0.20000  1.0 3.0
   79    90    43    48   0.56750  1.0 1.0
   79    90    43    48  -0.07550 -1.0 2.0
   79    90    43    48   0.20000  1.0 3.0
   79    90    43    52   0.56750  1.0 1.0
   79    90    43    52  -0.07550 -1.0 2.0
   79    90    43    52   0.20000  1.0 3.0
   80    79    90    91   0.15000  1.0 3.0
   80    79    90    92   0.15000  1.0 3.0
   80    79    90    43   0.15000  1.0 3.0
   81    79    90    91   0.15000  1.0 3.0
   81    79    90    92   0.15000  1.0 3.0
   81    79    90    43   0.15000  1.0 3.0
   90    43    48    49   0.15000  1.0 3.0
   90    43    48    50   0.15000  1.0 3.0
   90    43    48    51   0.15000  1.0 3.0
   90    43    52    53   0.15000  1.0 3.0
   90    43    52    61  -0.03700  1.0 1.0
   90    43    52    61   0.37200 -1.0 2.0
   90    43    52    61  -0.47300  1.0 3.0
   90    43    52    62   0.86500  1.0 1.0
   90    43    52    62  -0.17500 -1.0 2.0
   90    43    52    62   0.20800  1.0 3.0
   91    90    43    41   0.15000  1.0 3.0
   91    90    43    48   0.15000  1.0 3.0
   91    90    43    52   0.15000  1.0 3.0
   92    90    43    41   0.15000  1.0 3.0
   92    90    43    48   0.15000  1.0 3.0
   92    90    43    52   0.15000  1.0 3.0
   43    41    42    46  -0.95700  1.0 1.0
   43    41    42    46  -0.18200 -1.0 2.0
   43    41    42    46   0.29450  1.0 3.0
   43    41   -42    71   0.56750  1.0 1.0
   43    41   -42    71  -0.07550 -1.0 2.0
   43    41   -42    71   0.20000  1.0 3.0
   43    41    42    54   0.56750  1.0 1.0
   43    41    42    54  -0.07550 -1.0 2.0
   43    41    42    54   0.20000  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    52    61    66   0.04150 -1.0 2.0
   43    52    61    82   0.04150 -1.0 2.0
   43    52    62    63  -0.11600  1.0 1.0
   43    52    62    63  -0.09450 -1.0 2.0
   43    52    62    63   0.21250  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    61  -0.03700  1.0 1.0
   48    43    52    61   0.37200 -1.0 2.0
   48    43    52    61  -0.47300  1.0 3.0
   48    43    52    62   0.86500  1.0 1.0
   48    43    52    62  -0.17500 -1.0 2.0
   48    43    52    62   0.20800  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
   52    61    66    67   3.62500 -1.0 2.0
   52    61    66    69   3.62500 -1.0 2.0
   52    61    82    73   3.62500 -1.0 2.0
   52    61    82    83   3.62500 -1.0 2.0
   53    52    61    66   0.00000  1.0 1.0
   53    52    61    82   0.00000  1.0 1.0
   53    52    62    63   0.19450  1.0 3.0
   61    52    62    63   0.31900  1.0 1.0
   61    52    62    63  -0.11800 -1.0 2.0
   61    52    62    63   0.38750  1.0 3.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66   -69    73   3.62500 -1.0 2.0
   66    61   -82    73   3.62500 -1.0 2.0
   66    61    82    83   3.62500 -1.0 2.0
   66    69   -73    82   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73   -82    61   3.62500 -1.0 2.0
   69    73    82    83   3.62500 -1.0 2.0
   70    69    73    82   3.62500 -1.0 2.0
   82    61    66    67   3.62500 -1.0 2.0
   82    61   -66    69   3.62500 -1.0 2.0
   62    52    61    66   0.14300 -1.0 2.0
   62    52    61    66   0.00300  1.0 3.0
   62    52    61    82   0.14300 -1.0 2.0
   62    52    61    82   0.00300  1.0 3.0
   74    68    71    42   0.56750  1.0 1.0
   74    68    71    42  -0.07550 -1.0 2.0
   74    68    71    42   0.20000  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    79   0.56750  1.0 1.0
   74    68    71    79  -0.07550 -1.0 2.0
   74    68    71    79   0.20000  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    88   0.86500  1.0 1.0
   74    68    76    88  -0.17500 -1.0 2.0
   74    68    76    88   0.20800  1.0 3.0
   74    84   -93    64   0.06250  1.0 1.0
   74    84   -93    64  -0.01100 -1.0 2.0
   74    84   -93    64   0.28050  1.0 3.0
   74    84    93    97   0.06250  1.0 1.0
   74    84    93    97  -0.01100 -1.0 2.0
   74    84    93    97   0.28050  1.0 3.0
   74    84    93   101   0.06250  1.0 1.0
   74    84    93   101  -0.01100 -1.0 2.0
   74    84    93   101   0.28050  1.0 3.0
   74    85    94    95   0.41150 -1.0 2.0
   74    85    94    96   0.41150 -1.0 2.0
   75    74    84    93   0.37050  1.0 3.0
   75    74    85    86   0.15000  1.0 3.0
   75    74    85    87   0.15000  1.0 3.0
   75    74    85    94  -0.11250  1.0 3.0
   84    74    85    86   0.23400  1.0 3.0
   84    74    85    87   0.23400  1.0 3.0
   84    74    85    94  -3.35100  1.0 1.0
   84    74    85    94  -0.37050 -1.0 2.0
   84    74    85    94   0.22400  1.0 3.0
   84    93    97    98   0.23400  1.0 3.0
   84    93    97    99   0.23400  1.0 3.0
   84    93    97   100   0.23400  1.0 3.0
   84    93   101   102   0.23400  1.0 3.0
   84    93   101   103   0.23400  1.0 3.0
   84    93   101   104   0.23400  1.0 3.0
   93    64    68    71   0.56750  1.0 1.0
   93    64    68    71  -0.07550 -1.0 2.0
   93    64    68    71   0.20000  1.0 3.0
   93    64   -68    74   0.56750  1.0 1.0
   93    64   -68    74  -0.07550 -1.0 2.0
   93    64   -68    74   0.20000  1.0 3.0
   93    64    68    76   0.56750  1.0 1.0
   93    64    68    76  -0.07550 -1.0 2.0
   93    64    68    76   0.20000  1.0 3.0
   97    93   101   102   0.15000  1.0 3.0
   97    93   101   103   0.15000  1.0 3.0
   97    93   101   104   0.15000  1.0 3.0
  101    93    97    98   0.15000  1.0 3.0
  101    93    97    99   0.15000  1.0 3.0
  101    93    97   100   0.15000  1.0 3.0
   85    74    84    93   0.06250  1.0 1.0
   85    74    84    93  -0.01100 -1.0 2.0
   85    74    84    93   0.28050  1.0 3.0
   86    85    94    95   0.00000  1.0 1.0
   86    85    94    96   0.00000  1.0 1.0
   87    85    94    95   0.00000  1.0 1.0
   87    85    94    96   0.00000  1.0 1.0
   76    68    71    42   0.56750  1.0 1.0
   76    68    71    42  -0.07550 -1.0 2.0
   76    68    71    42   0.20000  1.0 3.0
   76    68    71    72   0.15000  1.0 3.0
   76    68    71    79   0.56750  1.0 1.0
   76    68    71    79  -0.07550 -1.0 2.0
   76    68    71    79   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    84   0.62750  1.0 1.0
   76    68    74    84  -0.30950 -1.0 2.0
   76    68    74    84   0.27300  1.0 3.0
   76    68    74    85   0.56750  1.0 1.0
   76    68    74    85  -0.07550 -1.0 2.0
   76    68    74    85   0.20000  1.0 3.0
   77    76    88    89   0.19450  1.0 3.0
   78    76    88    89   0.19450  1.0 3.0
   54    42    46    47   0.30150 -1.0 2.0
   54    42    46    58   0.60050  1.0 1.0
   54    42    46    58   0.05600 -1.0 2.0
   54    42    46    58   0.26150  1.0 3.0
   54    42    71    68   0.56750  1.0 1.0
   54    42    71    68  -0.07550 -1.0 2.0
   54    42    71    68   0.20000  1.0 3.0
   54    42    71    72   0.15000  1.0 3.0
   54    42    71    79   0.56750  1.0 1.0
   54    42    71    79  -0.07550 -1.0 2.0
   54    42    71    79   0.20000  1.0 3.0
   44    41    42    46  -0.09450  1.0 1.0
   44    41    42    46  -1.12950 -1.0 2.0
   44    41    42    46   0.54000  1.0 3.0
   44    41    42    71   0.86500  1.0 1.0
   44    41    42    71  -0.17500 -1.0 2.0
   44    41    42    71   0.20800  1.0 3.0
   44    41    42    54   0.86500  1.0 1.0
   44    41    42    54  -0.17500 -1.0 2.0
   44    41    42    54   0.20800  1.0 3.0
   44    41    43    90   0.86500  1.0 1.0
   44    41    43    90  -0.17500 -1.0 2.0
   44    41    43    90   0.20800  1.0 3.0
   44    41    43    48   0.86500  1.0 1.0
   44    41    43    48  -0.17500 -1.0 2.0
   44    41    43    48   0.20800  1.0 3.0
   44    41    43    52   0.86500  1.0 1.0
   44    41    43    52  -0.17500 -1.0 2.0
   44    41    43    52   0.20800  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
   39    33    38    40  10.50000 -1.0 2.0
   42    58    46    47  10.50000 -1.0 2.0
   66    82    61    52   4.00000 -1.0 2.0
   69    67    66    61   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   73    83    82    61   1.10000 -1.0 2.0
   95    85    94    96  10.50000 -1.0 2.0
END
