* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    189    274     536
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    65.89463    73.62240
    3     1 S   H    _H1_     3     1.02104    46.73824  -131.87604
    4     1 S   H    _H2_     4     1.02108   105.26674   -30.39655
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C28    36     1.80813    98.58312  -178.19084
   34    33 S   HC   _H32    37     1.09342   109.21118   -59.09459
   35    33 S   HC   _H33    38     1.09493   109.31303    58.83846
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C26    39     1.48710   110.11561   179.97202
   40    39 S   CM   _C27    40     1.34270   129.74434    90.38730
   41    40 S   OS   _O43    41     1.40354   114.68233  -177.33825
   42    40 S   OH   _O44   102     1.37034   126.15700     1.10606
   43    42 S   HO   _H31   103     0.96681   110.47345   179.98022
   44    41 S   CT   _C7_    42     1.43487   101.12244   -19.17727
   45    44 S   HC   _H3_    43     1.10087   105.82745   -85.82812
   46    44 S   CM   _C6_    44     1.49462   114.37889   157.11873
   47    46 S   HC   _H13    45     1.09147   112.65859   134.27688
   48    39 S   CT   _C8_    58     1.50192   122.17383   -83.86792
   49    48 S   HC   _H4_    59     1.09770   104.94569    81.52375
   50    46 S   CM   _C5_    46     1.34806   128.75754   -62.78797
   51    50 S   C3T  _C14    47     1.47841   118.24896  -153.88473
   52    51 S   HC   _H8_    48     1.08624   113.16052   -53.98021
   53    50 S   CT   _C4_    98     1.50302   124.88992    18.50584
   54    53 S   HC   _H10    99     1.08642   109.32097    90.03194
   55    53 S   HC   _H11   100     1.08663   109.35598   -30.18200
   56    53 S   HC   _H12   101     1.08649   109.32950  -149.86950
   57    51 S   C3T  _C13    49     1.53051   116.27073    85.72659
   58    57 S   HC   _H7_    50     1.08591   116.36860  -136.45847
   59    57 S   CM   _C12    51     1.47884   124.72482    14.56299
   60    59 S   HC   _H14    52     1.09035   111.56892   104.76825
   61    51 S   O3T  _O33    97     1.42609   126.22671   154.36118
   62    59 S   CM   _C11    53     1.34797   131.25762   -76.04105
   63    62 S   CT   _C10    54     1.50970   128.70587     0.18975
   64    63 S   HC   _H6_    55     1.09273   111.16844    -2.63997
   65    62 S   CO4  _C15    90     1.47561   114.31328  -178.64088
   66    65 S   O    _O34    91     1.21472   123.20519   119.96883
   67    63 S   CT   _C9_    56     1.55877   115.22299   123.50106
   68    67 S   HC   _H5_    57     1.09830   108.88117    67.81863
   69    63 S   OS   _O36    83     1.43742   108.00470  -117.15347
   70    65 S   OS   _O35    92     1.35363   108.21958   -60.07633
   71    67 S   OS   _O38    60     1.43174   108.20942  -177.67847
   72    69 S   CO4  _C17    84     1.36140   115.21859    88.61365
   73    72 S   O    _O37    85     1.22313   126.58677    -0.06561
   74    70 S   CT   _C16    93     1.43129   114.91724  -179.95154
   75    74 S   HC   _H15    94     1.09286   109.50804  -180.00000
   76    74 S   HC   _H16    95     1.09280   109.56863    59.21687
   77    74 S   HC   _H17    96     1.09299   108.97440   -60.42813
   78    71 S   CO4  _C19    61     1.36452   115.64756   -86.54656
   79    78 S   O    _O39    62     1.22550   125.31996    -0.00000
   80    72 S   CT   _C18    86     1.49883   109.31780  -180.00000
   81    80 S   HC   _H18    87     1.09302   109.78435   -90.00435
   82    80 S   HC   _H19    88     1.09230   109.82329   148.06973
   83    80 S   HC   _H20    89     1.09371   109.35443    29.06012
   84    78 S   CT   _C20    63     1.52880   110.60537  -179.79826
   85    84 S   CT   _C21    64     1.53155   110.11936   -60.16996
   86    85 S   HC   _H21    65     1.09490   112.41046  -179.97202
   87    85 S   HC   _H22    66     1.09585   110.81516    59.64602
   88    85 S   HC   _H23    67     1.09567   110.74271   -58.51614
   89    84 S   CT   _C22    68     1.54329   112.69170    65.89617
   90    89 S   HC   _H9_    69     1.09820   108.36615   -59.99948
   91    84 S   OH   _O42    81     1.42924   106.43024  -176.73445
   92    91 S   HO   _H30    82     0.96806   106.30101   -60.06075
   93    89 S   CT   _C23    70     1.52737   113.78105  -179.52978
   94    93 S   HC   _H24    71     1.09530   111.37507   -59.93543
   95    93 S   HC   _H25    72     1.09364   111.81223    62.20230
   96    93 S   HC   _H26    73     1.09595   110.12886  -177.53248
   97    89 S   OS   _O40    74     1.42483   110.65201    57.26271
   98    97 S   CO4  _C24    75     1.36561   115.67681  -147.97415
   99    98 S   O    _O41    76     1.22373   126.18354    -0.02798
  100    98 S   CT   _C25    77     1.49866   109.74843   180.00000
  101   100 S   HC   _H27    78     1.09311   109.84144   -90.05406
  102   100 S   HC   _H28    79     1.09320   109.84848   148.06262
  103   100 S   HC   _H29    80     1.09331   109.37801    29.07724
  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   6   5   4   3
  10   4   3   2   1   1  13   9  10   3   1  12   6  13   4  10
   4  10  11   5   5   2   1   1   7   4  10   4   1  11  12   6
   8   2   7   3   7   4   6   5   4   3   2   1   1  12   4   3
   2   1   1  14   9   4   3   2  11   7   3   1   5   3   2   1
   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    67    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    63    67    68    48    49    71    42    43  
   41    44    45    46    67    48    49    42    43  
   44    45    46    47    50    67    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    63    67    68    48    49    71    53  
   46    47    50    67    48    49  
   47    50    51    52    57    67    48    49    61    53    54    55    56  
   50    51    48    53  
   49    71    78    69    50    62    63    64    67    68  
   71    63    67    68  
   51    52    57    58    59    61    53    54    55    56  
   52    57    58    59    60    62    61    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57    61  
   55    56  
   56  
    0  
   58    59    60    62    63    65    61  
   59    60    62    61  
   60    62    63    64    67    69    65    66    70    61  
   62    63    65    61  
   62  
   63    64    67    68    71    69    72    65    66    70    74  
   64    67    68    71    78    69    72    73    80    65    66    70  
   67    68    71    69    72    65  
   66    70    74    75    76    77    67    69  
   70    74  
   68    71    78    79    84    69    72  
   71    78    69  
   72    73    80    81    82    83    71  
   74    75    76    77  
   78    79    84    85    89    91  
   73    80    81    82    83  
   80    81    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    84    85    86    87    88    89    90    93    97    91    92  
   84    85    89    91  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88    89    90    93    94    95    96    97    98    91    92  
   86    87    88    89    90    93    97    91    92  
   87    88    89    91  
   88    89    91  
   89    91  
   90    93    94    95    96    97    98    99   100    91    92  
   93    94    95    96    97    98    91  
   92    93    97  
    0  
   94    95    96    97    98  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   305.000  1.480
   50    53   317.000  1.510
   51    52   340.000  1.088
   51    57   260.000  1.509
   51    61   335.000  1.432
   57    58   340.000  1.088
   57    59   305.000  1.480
   57    61   335.000  1.432
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    65   320.000  1.462
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    48   268.000  1.529
   67    71   320.000  1.410
   48    49   340.000  1.090
   71    78   214.000  1.327
   78    79   570.000  1.229
   78    84   317.000  1.522
   84    85   268.000  1.529
   84    89   268.000  1.529
   84    91   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    97   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   214.000  1.327
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   91    92   553.000  0.945
   69    72   214.000  1.327
   72    73   570.000  1.229
   72    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   65    66   570.000  1.229
   65    70   214.000  1.327
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    67    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    85.00000  110.90400
   41    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    67    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    55.00000  125.06700
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    40.00000  112.45000
   50    51    57    60.00000  120.58800
   50    51    61    85.00000  114.23300
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  117.20000
   51    57    59    60.00000  120.58800
   51    57    61    15.00000   60.43100
   51    61    57    15.00000   59.14900
   57    51    52    37.50000  117.20000
   57    59    60    40.00000  117.24000
   57    59    62    55.00000  125.06700
   59    57    58    40.00000  112.45000
   59    62    63    70.00000  124.00000
   59    62    65    65.00000  118.96000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    67    70.00000  112.02700
   62    63    69    85.00000  110.90400
   62    65    66    80.00000  123.72100
   62    65    70    90.00000  111.29400
   63    67    68    37.50000  110.70000
   63    67    48    58.35000  112.70000
   63    67    71    50.00000  109.50000
   63    69    72    83.00000  116.90000
   67    63    64    37.50000  110.70000
   67    48    49    37.50000  110.70000
   67    71    78    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    67    68    37.50000  110.70000
   71    67    68    35.00000  109.50000
   71    67    48    50.00000  109.50000
   71    78    79    83.00000  123.40000
   71    78    84    81.00000  111.40000
   78    84    85    63.00000  111.10000
   78    84    89    63.00000  111.10000
   78    84    91    90.00000  109.61100
   84    78    79    80.00000  120.40000
   84    85    86    37.50000  110.70000
   84    85    87    37.50000  110.70000
   84    85    88    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    93    58.35000  112.70000
   84    89    97    50.00000  109.50000
   84    91    92    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    84    85    58.35000  112.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   89    97    98    83.00000  116.90000
   93    89    90    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    89    90    35.00000  109.50000
   97    89    93    50.00000  109.50000
   97    98    99    83.00000  123.40000
   97    98   100    81.00000  111.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  100    98    99    80.00000  120.40000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   91    84    85    50.00000  109.50000
   91    84    89    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   69    72    73    83.00000  123.40000
   69    72    80    81.00000  111.40000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   80    72    73    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   65    62    63    65.00000  116.34900
   65    70    74    83.00000  116.90000
   70    65    66    83.00000  123.40000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    51    52    50.00000  114.27700
   61    51    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    85.00000  114.23300
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    67   0.46850  1.0 1.0
   33    39    48    67   0.08550 -1.0 2.0
   33    39    48    67   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    67   0.09850  1.0 1.0
   40    39    48    67   0.15250 -1.0 2.0
   40    39    48    67  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.48150  1.0 1.0
   40    41    44    46   0.09250 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    50   0.39000  1.0 1.0
   41    44    46    50  -0.05800 -1.0 2.0
   41    44    46    50  -0.55150  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    67   0.62750  1.0 1.0
   41    44    48    67  -0.30950 -1.0 2.0
   41    44    48    67   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    67   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.31000  1.0 1.0
   46    44    48    39   0.14700 -1.0 2.0
   46    44    48    39   0.07550  1.0 3.0
   46    44    48    67   0.34400  1.0 1.0
   46    44    48    67   0.09450 -1.0 2.0
   46    44    48    67   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    61   0.39000  1.0 1.0
   46    50    51    61  -0.05800 -1.0 2.0
   46    50    51    61  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.31000  1.0 1.0
   50    51    57    59   0.14700 -1.0 2.0
   50    51    57    59   0.07550  1.0 3.0
   50    51   -57    61   0.61850  1.0 1.0
   50    51   -57    61  -0.22750 -1.0 2.0
   50    51   -57    61   0.15300  1.0 3.0
   50    51   -61    57  -0.77900  1.0 1.0
   50    51   -61    57  -0.36900 -1.0 2.0
   50    51   -61    57   0.40400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    59    60   0.00000  1.0 1.0
   51    57    59    62   0.09850  1.0 1.0
   51    57    59    62   0.15250 -1.0 2.0
   51    57    59    62  -0.50650  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51   -57    61   0.23400  1.0 3.0
   52    51   -61    57   0.36800  1.0 3.0
   57    59    62    63   7.00000 -1.0 2.0
   57    59    62    65   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   58    57   -61    51   0.36800  1.0 3.0
   59    57   -61    51  -0.77900  1.0 1.0
   59    57   -61    51  -0.36900 -1.0 2.0
   59    57   -61    51   0.40400  1.0 3.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    67   0.09850  1.0 1.0
   59    62    63    67   0.15250 -1.0 2.0
   59    62    63    67  -0.50650  1.0 3.0
   59    62    63    69   0.39000  1.0 1.0
   59    62    63    69  -0.05800 -1.0 2.0
   59    62    63    69  -0.55150  1.0 3.0
   59    62    65    66   1.00000 -1.0 2.0
   59    62    65    70  -0.56150  1.0 1.0
   59    62    65    70   2.19150 -1.0 2.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    65   7.00000 -1.0 2.0
   62    63    67    68   0.15000  1.0 3.0
   62    63    67    48   0.34400  1.0 1.0
   62    63    67    48   0.09450 -1.0 2.0
   62    63    67    48   0.11100  1.0 3.0
   62    63    67    71   0.61850  1.0 1.0
   62    63    67    71  -0.22750 -1.0 2.0
   62    63    67    71   0.15300  1.0 3.0
   62    63    69    72  -0.82050  1.0 1.0
   62    63    69    72   0.00600 -1.0 2.0
   62    63    69    72   0.04400  1.0 3.0
   62    65    70    74   2.00000 -1.0 2.0
   63    62    65    66  -0.64400  1.0 1.0
   63    62    65    66   0.26850 -1.0 2.0
   63    62    65    70  -0.15000  1.0 1.0
   63    62    65    70   0.89550 -1.0 2.0
   63    62    65    70  -0.06900  1.0 3.0
   63    67    48    39   0.34400  1.0 1.0
   63    67    48    39   0.09450 -1.0 2.0
   63    67    48    39   0.11100  1.0 3.0
   63    67    48    44   0.56750  1.0 1.0
   63    67    48    44  -0.07550 -1.0 2.0
   63    67    48    44   0.20000  1.0 3.0
   63    67    48    49   0.15000  1.0 3.0
   63    67    71    78  -0.25900  1.0 1.0
   63    67    71    78  -0.47000 -1.0 2.0
   63    67    71    78   0.11750  1.0 3.0
   63    69    72    73   3.00000 -1.0 2.0
   63    69    72    80   1.63150  1.0 1.0
   63    69    72    80   2.92000 -1.0 2.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    48   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    69    72   0.08050  1.0 3.0
   67    63    69    72  -0.25900  1.0 1.0
   67    63    69    72  -0.47000 -1.0 2.0
   67    63    69    72   0.11750  1.0 3.0
   67    71    78    79   3.00000 -1.0 2.0
   67    71    78    84   1.63150  1.0 1.0
   67    71    78    84   2.92000 -1.0 2.0
   68    67    48    39   0.15000  1.0 3.0
   68    67    48    44   0.15000  1.0 3.0
   68    67    48    49   0.15000  1.0 3.0
   68    67    71    78   0.08050  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    67    71    78  -0.25900  1.0 1.0
   48    67    71    78  -0.47000 -1.0 2.0
   48    67    71    78   0.11750  1.0 3.0
   71    67    48    39   0.61850  1.0 1.0
   71    67    48    39  -0.22750 -1.0 2.0
   71    67    48    39   0.15300  1.0 3.0
   71    67    48    44   0.62750  1.0 1.0
   71    67    48    44  -0.30950 -1.0 2.0
   71    67    48    44   0.27300  1.0 3.0
   71    67    48    49   0.23400  1.0 3.0
   71    78    84    85   0.36750  1.0 3.0
   71    78    84    89   0.36750  1.0 3.0
   71    78    84    91   0.30750  1.0 1.0
   71    78    84    91   1.13850 -1.0 2.0
   71    78    84    91   0.38850  1.0 3.0
   78    84    85    86  -0.11250  1.0 3.0
   78    84    85    87  -0.11250  1.0 3.0
   78    84    85    88  -0.11250  1.0 3.0
   78    84    89    90  -0.11250  1.0 3.0
   78    84    89    93  -0.95700  1.0 1.0
   78    84    89    93  -0.18200 -1.0 2.0
   78    84    89    93   0.29450  1.0 3.0
   78    84    89    97  -0.09450  1.0 1.0
   78    84    89    97  -1.12950 -1.0 2.0
   78    84    89    97   0.54000  1.0 3.0
   78    84    91    92   0.91850  1.0 1.0
   78    84    91    92   0.57950  1.0 3.0
   79    78    84    85   0.30150 -1.0 2.0
   79    78    84    89   0.30150 -1.0 2.0
   79    78    84    91   0.30150 -1.0 2.0
   84    89    93    94   0.15000  1.0 3.0
   84    89    93    95   0.15000  1.0 3.0
   84    89    93    96   0.15000  1.0 3.0
   84    89    97    98  -0.25900  1.0 1.0
   84    89    97    98  -0.47000 -1.0 2.0
   84    89    97    98   0.11750  1.0 3.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    93   0.56750  1.0 1.0
   85    84    89    93  -0.07550 -1.0 2.0
   85    84    89    93   0.20000  1.0 3.0
   85    84    89    97   0.62750  1.0 1.0
   85    84    89    97  -0.30950 -1.0 2.0
   85    84    89    97   0.27300  1.0 3.0
   85    84    91    92  -0.11600  1.0 1.0
   85    84    91    92  -0.09450 -1.0 2.0
   85    84    91    92   0.21250  1.0 3.0
   89    84    85    86   0.15000  1.0 3.0
   89    84    85    87   0.15000  1.0 3.0
   89    84    85    88   0.15000  1.0 3.0
   89    84    91    92  -0.11600  1.0 1.0
   89    84    91    92  -0.09450 -1.0 2.0
   89    84    91    92   0.21250  1.0 3.0
   89    97    98    99   3.00000 -1.0 2.0
   89    97    98   100   1.63150  1.0 1.0
   89    97    98   100   2.92000 -1.0 2.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    95   0.15000  1.0 3.0
   90    89    93    96   0.15000  1.0 3.0
   90    89    97    98   0.08050  1.0 3.0
   93    89    97    98  -0.25900  1.0 1.0
   93    89    97    98  -0.47000 -1.0 2.0
   93    89    97    98   0.11750  1.0 3.0
   97    89    93    94   0.23400  1.0 3.0
   97    89    93    95   0.23400  1.0 3.0
   97    89    93    96   0.23400  1.0 3.0
   97    98   100   101   0.00000  1.0 1.0
   97    98   100   102   0.00000  1.0 1.0
   97    98   100   103   0.00000  1.0 1.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.00000  1.0 1.0
   99    98   100   103   0.00000  1.0 1.0
   91    84    85    86   0.23400  1.0 3.0
   91    84    85    87   0.23400  1.0 3.0
   91    84    85    88   0.23400  1.0 3.0
   91    84    89    90   0.23400  1.0 3.0
   91    84    89    93   0.86500  1.0 1.0
   91    84    89    93  -0.17500 -1.0 2.0
   91    84    89    93   0.20800  1.0 3.0
   91    84    89    97   3.69350  1.0 1.0
   91    84    89    97  -1.82950 -1.0 2.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    48   0.62750  1.0 1.0
   69    63    67    48  -0.30950 -1.0 2.0
   69    63    67    48   0.27300  1.0 3.0
   69    63    67    71   1.11900  1.0 1.0
   69    63    67    71  -1.16350 -1.0 2.0
   69    63    67    71  -0.34150  1.0 3.0
   69    72    80    81   0.00000  1.0 1.0
   69    72    80    82   0.00000  1.0 1.0
   69    72    80    83   0.00000  1.0 1.0
   73    72    80    81   0.00000  1.0 1.0
   73    72    80    82   0.00000  1.0 1.0
   73    72    80    83   0.00000  1.0 1.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    67   0.09700  1.0 1.0
   65    62    63    67   0.15600 -1.0 2.0
   65    62    63    67  -0.50800  1.0 3.0
   65    62    63    69   0.09700  1.0 1.0
   65    62    63    69   0.15600 -1.0 2.0
   65    62    63    69  -0.50800  1.0 3.0
   65    70    74    75   0.08050  1.0 3.0
   65    70    74    76   0.08050  1.0 3.0
   65    70    74    77   0.08050  1.0 3.0
   66    65    70    74   3.00000 -1.0 2.0
   61    51   -57    58   0.23400  1.0 3.0
   61    51   -57    59   0.61850  1.0 1.0
   61    51   -57    59  -0.22750 -1.0 2.0
   61    51   -57    59   0.15300  1.0 3.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    62   0.39000  1.0 1.0
   61    57    59    62  -0.05800 -1.0 2.0
   61    57    59    62  -0.55150  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    61   0.09700  1.0 1.0
   53    50    51    61   0.15600 -1.0 2.0
   53    50    51    61  -0.50800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   57    60    59    62   1.10000 -1.0 2.0
   65    63    62    59   1.10000 -1.0 2.0
   71    84    78    79  10.50000 -1.0 2.0
   97   100    98    99  10.50000 -1.0 2.0
   69    80    72    73  10.50000 -1.0 2.0
   62    70    65    66  10.50000 -1.0 2.0
END
