* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    194    302     572
    1     0 S   NP   _N1_     1    28.52108    93.72444   -22.15648
    2     1 S   H    _HN1     2     1.02780    97.09539   -81.07956
    3     1 S   H    _H1_     3     1.02961    92.92252    27.79673
    4     1 S   H    _H2_     4     1.02837    22.35411   158.16503
    5     1 S   CT   _CA1     5     1.50105   132.90723   149.39824
    6     5 S   HC   _HA1     6     1.09577   105.24921    62.69919
    7     5 S   CO3  _C1_     7     1.53791   112.39820   -57.53304
    8     7 S   O2Z  _O11     8     1.26357   115.01005   -44.37942
    9     7 S   O2Z  _O12     9     1.26242   114.91356   134.86655
   10     5 S   CT   _CB1    10     1.53098   107.43775  -179.39964
   11    10 S   HC   HB11    11     1.09824   109.34299   -51.14994
   12    10 S   HC   HB12    12     1.09821   110.41946    65.40594
   13    10 S   CT   _CG1    13     1.52985   112.64363  -172.27320
   14    13 S   HC   HG11    14     1.09606   110.41855   -63.35972
   15    13 S   HC   HG12    15     1.09658   110.03456    55.83755
   16    13 S   C    _CD1    16     1.51804   112.35134   176.20063
   17    16 S   O    _OE1    17     1.22704   123.33689    -3.63416
   18    16 S   N    _N2_    18     1.38568   111.51722   176.60760
   19    18 S   H    _HN2    19     1.01558   118.92812     1.05647
   20    18 S   CT1  _CA2    20     1.46175   123.54412  -179.71676
   21    20 S   HC   _HA2    21     1.09716   109.47395   -10.57308
   22    20 S   C    _C2_    22     1.53427   108.46619  -126.37940
   23    22 S   O    _O2_    23     1.23035   122.14165  -148.28172
   24    20 S   CT   _CB2    32     1.53450   111.20845   111.71943
   25    24 S   HC   HB21    33     1.09291   109.39340    54.37181
   26    24 S   HC   HB22    34     1.09468   110.23136   173.04416
   27    22 S   N    _N3_    24     1.38461   113.58710    38.70421
   28    27 S   H    _HN3    25     1.01513   118.96330     0.09065
   29    24 S   S    _SG2    35     1.82908   111.66014   -67.40561
   30    27 S   CT   _CA3    26     1.45422   123.39978   176.43668
   31    30 S   HC   HA31    27     1.09532   109.19373    25.10923
   32    30 S   HC   HA32    28     1.09497   107.11240   142.01548
   33    29 S   CT   _C9_    36     1.84568   101.63650   163.32322
   34    30 S   CO3  _C3_    29     1.52883   113.11887   -98.42592
   35    34 S   O2Z  _O31    30     1.26401   115.38032   -45.15913
   36    34 S   O2Z  _O32    31     1.26349   114.98528   135.76810
   37    33 S   CT   _C8_    37     1.53129   111.37632    48.08400
   38    37 S   HC   _H9_    38     1.09560   113.53566   -87.42743
   39    37 S   HC   _H10    39     1.09721   112.96319    36.40884
   40    33 S   CT   _C10   100     1.53825   109.44244   -74.63010
   41    40 S   HC   _H11   101     1.09502   112.15196   -55.36215
   42    40 S   HC   _H12   102     1.09631   111.31076  -175.55750
   43    40 S   HC   _H13   103     1.09440   111.94377    65.44164
   44    37 S   N    _N4_    40     1.44964   104.89886   151.68269
   45    44 S   C    _C7_    41     1.41612   110.47230   -21.34179
   46    45 S   O    _O33    42     1.22340   127.20117  -178.79115
   47    44 S   C    _C11    52     1.41063   120.21105   158.41245
   48    47 S   O    _O34    53     1.23224   122.85980    -1.58326
   49    33 S   CT   _C6_    43     1.55240   110.52116   160.22364
   50    49 S   HC   _H3_    44     1.10013   110.31974   -40.62051
   51    47 S   N    _N5_    54     1.38710   113.75569   179.13974
   52    51 S   H    _H14    55     1.01531   118.66451    -4.06866
   53    49 S   CT   _C5_    45     1.53554   118.97953    86.01805
   54    53 S   HC   _H7_    46     1.09635   110.86572    57.55499
   55    53 S   HC   _H8_    47     1.09807   108.56966   172.77968
   56    51 S   CT   _C12    56     1.45287   123.53583   174.59717
   57    56 S   HC   _H15    57     1.09505   106.55397   131.65351
   58    56 S   HC   _H16    58     1.09517   109.93827    14.90508
   59    53 S   CT   _C4_    48     1.51995   114.58614   -67.18466
   60    59 S   HC   _H4_    49     1.09442   111.14854   -52.67813
   61    59 S   HC   _H5_    50     1.09509   109.88029  -171.92100
   62    59 S   HC   _H6_    51     1.09275   111.81752    69.17218
   63    56 S   CT   _C13    59     1.52978   111.72537  -108.82214
   64    63 S   HC   _H17    60     1.09729   109.32424  -173.34333
   65    63 S   HC   _H18    61     1.09770   109.94241   -57.49527
   66    63 S   CA   _C14    62     1.50933   113.11731    65.19448
   67    66 S   CA   _C15    63     1.40247   120.45736    82.28964
   68    67 S   HA   _H19    64     1.08718   120.27296     0.88823
   69    67 S   CA   _C16    65     1.39522   120.54037  -178.95040
   70    69 S   HA   _H20    66     1.08578   119.43810   179.84677
   71    69 S   CA   _C17    67     1.39488   119.24465     0.40251
   72    71 S   CA   _C18    68     1.39426   121.18840    -0.14402
   73    72 S   HA   _H21    69     1.08551   121.55210   179.47029
   74    71 S   SY   _S1_    72     1.80496   119.18329  -179.75134
   75    74 S   OY   _O35    73     1.46140   102.22815    35.10920
   76    74 S   OY   _O36    74     1.46156   102.40373   153.83209
   77    66 S   CA   _C19    70     1.40341   120.30830   -96.19174
   78    77 S   HA   _H22    71     1.08739   120.29041    -0.78385
   79    74 S   NM   _N6_    75     1.59193   104.43474   -85.47306
   80    79 S   C    _C20    76     1.33444   116.62679  -175.55781
   81    80 S   O    _O37    77     1.23406   127.39395    -1.33325
   82    80 S   N    _N7_    78     1.39058   114.40594   178.44216
   83    82 S   H    _H23    79     1.01450   114.76745  -177.71364
   84    82 S   CT   _C21    80     1.47075   127.99852    -0.00000
   85    84 S   HC   _H24    81     1.09665   107.14419    38.37502
   86    84 S   CT   _C22    82     1.53479   110.64886   155.80598
   87    86 S   HC   _H25    83     1.09668   110.23923   -50.05784
   88    86 S   HC   _H26    84     1.09769   108.73516  -166.77685
   89    86 S   CT   _C23    85     1.53006   113.07758    72.64206
   90    89 S   HC   _H27    86     1.09682   108.98612   174.79579
   91    89 S   HC   _H28    87     1.09689   109.71530   -68.94724
   92    89 S   CT   _C24    88     1.53301   111.74406    53.31293
   93    92 S   HC   _H29    89     1.09639   108.00573    63.93164
   94    92 S   CT   _C25    90     1.53263   110.91135   -54.59076
   95    94 S   HC   _H30    91     1.09725   110.07911   -66.29993
   96    94 S   HC   _H31    92     1.09632   109.92127   176.52610
   97    92 S   CT   _C27    96     1.52703   110.85273  -178.10524
   98    97 S   HC   _H34    97     1.09522   111.33489    61.83694
   99    97 S   HC   _H35    98     1.09504   110.74255   -58.37898
  100    97 S   HC   _H36    99     1.09497   110.82159  -177.92793
  101    84 S   CT   _C26    93     1.53420   111.37613   -80.21336
  102   101 S   HC   _H32    94     1.09726   108.60523   168.05186
  103   101 S   HC   _H33    95     1.09562   110.96323    51.19140
  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  13   5   4   3
  17   2   1   1  15   6   5   8   3   2   1  10  10   4   8   3
   8   4   8   4   6   5   4   8   5   4   3   2   1   1   9   4
   3   9   8   4   9   3   9   7   3   7   3   2   1   1   5   7
   3  11   4  14   8  12   6   5  12   5   4  11   8   9   5   4
   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    45    49    50    53    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    53    54    55    59    47    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    49    50    53    47    48    51    40    41    42    43  
   39    44    45    49    47    40  
   44    45    49    47    40  
   41    42    43    44    45    49    50    53  
   42    43    49  
   43    49  
   49  
   45    46    49    50    53    47    48    51    52    56  
   46    49    50    53    54    55    59    47    48    51  
   49    50    53    47  
   48    51    52    56    57    58    63    49  
   51    52    56  
   50    53    54    55    59    60    61    62  
   53    54    55    59  
   52    56    57    58    63    64    65    66  
   56    57    58    63  
   54    55    59    60    61    62  
   55    59    60    61    62  
   59    60    61    62  
   57    58    63    64    65    66    67    77  
   58    63    64    65    66  
   63    64    65    66  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    72    77    78  
   65    66    67    77  
   66    67    77  
   67    68    69    70    71    72    73    77    78  
   68    69    70    71    72    77    78    74  
   69    70    71    77  
   70    71    72    73    77    74    75    76    79  
   71    72    74  
   72    73    77    78    74    75    76    79    80  
   73    77    78    74    75    76    79  
   77    78    74  
   75    76    79    80    81    82    77  
   76    79    80  
   79    80  
   78  
    0  
   80    81    82    83    84  
   81    82    83    84    85    86   101  
   82    83    84  
   83    84    85    86    87    88    89    94   101   102   103  
   84    85    86   101  
   85    86    87    88    89    90    91    92    94    95    96   101   102   103  
   86    87    88    89    94   101   102   103  
   87    88    89    90    91    92    93    94   101   102   103    97  
   88    89    90    91    92   101  
   89    90    91    92   101  
   90    91    92    93    94    95    96   101    97    98    99   100  
   91    92    93    94    97  
   92    93    94    97  
   93    94    95    96   101   102   103    97    98    99   100  
   94    95    96   101    97    98    99   100  
   95    96   101   102   103    97    98    99   100  
   96   101   102   103    97  
  101   102   103    97  
   98    99   100   101  
   99   100  
  100  
    0  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.294700   1.8100   1.6000   0.054801302  -1.445846770
   45   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.565700   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.032000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   75   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   80   3.7500   0.1050   0.745000   1.9250   1.7000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   82   3.2500   0.1700  -0.565700   1.8100   1.6000   0.054801302  -1.445846770
   83   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   84   3.5000   0.0660   0.092000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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  -0.120000   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   337.000  1.449
   44    45   490.000  1.335
   44    47   490.000  1.335
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   570.000  1.229
   47    51   490.000  1.335
   51    52   434.000  1.010
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   469.000  1.400
   66    77   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   225.000  1.779
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   74    75   735.000  1.471
   74    76   735.000  1.471
   74    79   350.000  1.613
   79    80   495.000  1.346
   80    81   570.000  1.229
   80    82   490.000  1.335
   82    83   434.000  1.010
   82    84   337.000  1.449
   84    85   340.000  1.090
   84    86   268.000  1.529
   84   101   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    70.00000  110.72300
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    50.00000  121.90000
   37    44    47    50.00000  121.90000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    80.00000  122.90000
   44    45    49    70.00000  116.60000
   44    47    48    80.00000  122.90000
   44    47    51    90.00000  111.91700
   45    49    50    35.00000  109.50000
   45    49    53    63.00000  111.10000
   49    33    37    58.35000  112.70000
   49    45    46    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    59    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    44    45    70.00000  121.37400
   47    51    52    35.00000  119.80000
   47    51    56    50.00000  121.90000
   51    47    48    80.00000  122.90000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    63    70.00000  110.72300
   56    51    52    38.00000  118.40000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    70.00000  112.17500
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    70.00000  120.00000
   63    66    77    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    77    72    63.00000  120.00000
   66    77    78    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    65.00000  117.06700
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    77    63.00000  120.00000
   71    74    75   100.00000  107.67100
   71    74    76   100.00000  107.67100
   71    74    79   105.00000   98.50000
   72    77    78    35.00000  120.00000
   77    66    67    63.00000  120.00000
   77    72    73    35.00000  120.00000
   74    71    72    65.00000  117.06700
   74    79    80    75.00000  119.03800
   76    74    75   115.00000  120.17200
   79    74    75   105.00000  114.79700
   79    74    76   105.00000  114.79700
   79    80    81    85.00000  128.94100
   79    80    82    80.00000  119.15700
   80    82    83    35.00000  119.80000
   80    82    84    50.00000  121.90000
   82    80    81    80.00000  122.90000
   82    84    85    35.00000  109.50000
   82    84    86    70.00000  110.72300
   82    84   101    70.00000  110.72300
   84    82    83    38.00000  118.40000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    58.35000  112.70000
   84   101    94    58.35000  112.70000
   84   101   102    37.50000  110.70000
   84   101   103    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    97    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94   101    58.35000  112.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   94    92    93    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   96    94    95    33.00000  107.80000
  101    84    85    37.50000  110.70000
  101    84    86    58.35000  112.70000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  103   101   102    33.00000  107.80000
   97    92    93    37.50000  110.70000
   97    92    94    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37   -44    45  -0.43950  1.0 1.0
   33    37   -44    45  -0.08100 -1.0 2.0
   33    37   -44    45   0.03350  1.0 3.0
   33    37    44    47  -0.43950  1.0 1.0
   33    37    44    47  -0.08100 -1.0 2.0
   33    37    44    47   0.03350  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    55   0.15000  1.0 3.0
   33    49    53    59   0.56750  1.0 1.0
   33    49    53    59  -0.07550 -1.0 2.0
   33    49    53    59   0.20000  1.0 3.0
   37    33   -49    45  -0.95700  1.0 1.0
   37    33   -49    45  -0.18200 -1.0 2.0
   37    33   -49    45   0.29450  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    53   0.56750  1.0 1.0
   37    33    49    53  -0.07550 -1.0 2.0
   37    33    49    53   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   3.04450 -1.0 2.0
   37    44   -45    49   1.49850  1.0 1.0
   37    44   -45    49   1.53950 -1.0 2.0
   37    44    47    48   3.04450 -1.0 2.0
   37    44    47    51   4.56800  1.0 1.0
   37    44    47    51   0.31650 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    47   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    47   0.00000  1.0 1.0
   44    45   -49    33   1.39750  1.0 1.0
   44    45   -49    33  -0.07950 -1.0 2.0
   44    45   -49    33  -0.18750  1.0 3.0
   44    45    49    50   0.00000  1.0 1.0
   44    45    49    53   1.39750  1.0 1.0
   44    45    49    53  -0.07950 -1.0 2.0
   44    45    49    53  -0.18750  1.0 3.0
   44    47    51    52   2.56700 -1.0 2.0
   44    47    51    56   4.56800  1.0 1.0
   44    47    51    56   0.31650 -1.0 2.0
   45    44    47    48   2.22250 -1.0 2.0
   45    44    47    51   3.00000 -1.0 2.0
   45    49    53    54  -0.11250  1.0 3.0
   45    49    53    55  -0.11250  1.0 3.0
   45    49    53    59  -0.95700  1.0 1.0
   45    49    53    59  -0.18200 -1.0 2.0
   45    49    53    59   0.29450  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53   0.30150 -1.0 2.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    44   0.43900  1.0 1.0
   49    33   -37    44   0.49100 -1.0 2.0
   49    33   -37    44   0.28400  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    33    40    43   0.15000  1.0 3.0
   49    53    59    60   0.15000  1.0 3.0
   49    53    59    61   0.15000  1.0 3.0
   49    53    59    62   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    59   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   47    44    45    46   2.22250 -1.0 2.0
   47    44    45    49   2.45000 -1.0 2.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    58   0.00000  1.0 1.0
   47    51    56    63  -0.43950  1.0 1.0
   47    51    56    63  -0.08100 -1.0 2.0
   47    51    56    63   0.03350  1.0 3.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    56   3.04450 -1.0 2.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    65   0.15000  1.0 3.0
   51    56    63    66   0.08550  1.0 1.0
   51    56    63    66   1.07500 -1.0 2.0
   51    56    63    66  -0.10950  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    63   0.00000  1.0 1.0
   56    63    66    67   0.04150 -1.0 2.0
   56    63    66    77   0.04150 -1.0 2.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.43200  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.43200  1.0 3.0
   63    66    67    68   3.62500 -1.0 2.0
   63    66    67    69   3.62500 -1.0 2.0
   63    66    77    72   3.62500 -1.0 2.0
   63    66    77    78   3.62500 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    77   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    77   0.00000  1.0 1.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    77    72   3.62500 -1.0 2.0
   67    66    77    78   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    77   3.62500 -1.0 2.0
   69    71    74    75   0.19500  1.0 1.0
   69    71    74    75   0.12000 -1.0 2.0
   69    71    74    76   0.19500  1.0 1.0
   69    71    74    76   0.12000 -1.0 2.0
   69    71    74    79  -0.49050  1.0 1.0
   69    71    74    79   0.22250 -1.0 2.0
   69    71    74    79  -0.39350  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -77    66   3.62500 -1.0 2.0
   71    72    77    78   3.62500 -1.0 2.0
   71    74    79    80  -0.64500  1.0 1.0
   71    74    79    80  -1.19050 -1.0 2.0
   71    74    79    80  -0.04400  1.0 3.0
   72    71    74    75   0.19500  1.0 1.0
   72    71    74    75   0.12000 -1.0 2.0
   72    71    74    76   0.19500  1.0 1.0
   72    71    74    76   0.12000 -1.0 2.0
   72    71    74    79  -0.49050  1.0 1.0
   72    71    74    79   0.22250 -1.0 2.0
   72    71    74    79  -0.39350  1.0 3.0
   73    72    77    66   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   77    66    67    68   3.62500 -1.0 2.0
   77    66   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    77   3.62500 -1.0 2.0
   74    79    80    81   7.00000 -1.0 2.0
   74    79    80    82   3.00000 -1.0 2.0
   75    74    79    80   0.64800  1.0 1.0
   75    74    79    80   0.05750 -1.0 2.0
   75    74    79    80   0.28250  1.0 3.0
   76    74    79    80   0.64800  1.0 1.0
   76    74    79    80   0.05750 -1.0 2.0
   76    74    79    80   0.28250  1.0 3.0
   79    80    82    83   2.56700 -1.0 2.0
   79    80    82    84   2.45000 -1.0 2.0
   80    82    84    85   0.00000  1.0 1.0
   80    82    84    86  -0.43950  1.0 1.0
   80    82    84    86  -0.08100 -1.0 2.0
   80    82    84    86   0.03350  1.0 3.0
   80    82    84   101  -0.43950  1.0 1.0
   80    82    84   101  -0.08100 -1.0 2.0
   80    82    84   101   0.03350  1.0 3.0
   81    80    82    83   2.45000 -1.0 2.0
   81    80    82    84   3.04450 -1.0 2.0
   82    84    86    87   0.15000  1.0 3.0
   82    84    86    88   0.15000  1.0 3.0
   82    84    86    89  -0.27100  1.0 1.0
   82    84    86    89  -0.01700 -1.0 2.0
   82    84    86    89  -0.48600  1.0 3.0
   82    84   101    94  -0.27100  1.0 1.0
   82    84   101    94  -0.01700 -1.0 2.0
   82    84   101    94  -0.48600  1.0 3.0
   82    84   101   102   0.15000  1.0 3.0
   82    84   101   103   0.15000  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84   101   0.00000  1.0 1.0
   84    86    89    90   0.15000  1.0 3.0
   84    86    89    91   0.15000  1.0 3.0
   84    86    89    92   0.56750  1.0 1.0
   84    86    89    92  -0.07550 -1.0 2.0
   84    86    89    92   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    88   0.15000  1.0 3.0
   85    84    86    89   0.15000  1.0 3.0
   85    84   101    94   0.15000  1.0 3.0
   85    84   101   102   0.15000  1.0 3.0
   85    84   101   103   0.15000  1.0 3.0
   86    84   101    94   0.56750  1.0 1.0
   86    84   101    94  -0.07550 -1.0 2.0
   86    84   101    94   0.20000  1.0 3.0
   86    84   101   102   0.15000  1.0 3.0
   86    84   101   103   0.15000  1.0 3.0
   86    89    92    93   0.15000  1.0 3.0
   86    89   -92    94   0.56750  1.0 1.0
   86    89   -92    94  -0.07550 -1.0 2.0
   86    89   -92    94   0.20000  1.0 3.0
   86    89    92    97   0.56750  1.0 1.0
   86    89    92    97  -0.07550 -1.0 2.0
   86    89    92    97   0.20000  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   89    92    94    95   0.15000  1.0 3.0
   89    92    94    96   0.15000  1.0 3.0
   89    92    94   101   0.56750  1.0 1.0
   89    92    94   101  -0.07550 -1.0 2.0
   89    92    94   101   0.20000  1.0 3.0
   89    92    97    98   0.15000  1.0 3.0
   89    92    97    99   0.15000  1.0 3.0
   89    92    97   100   0.15000  1.0 3.0
   90    89    92    93   0.15000  1.0 3.0
   90    89    92    94   0.15000  1.0 3.0
   90    89    92    97   0.15000  1.0 3.0
   91    89    92    93   0.15000  1.0 3.0
   91    89    92    94   0.15000  1.0 3.0
   91    89    92    97   0.15000  1.0 3.0
   92    94  -101    84   0.56750  1.0 1.0
   92    94  -101    84  -0.07550 -1.0 2.0
   92    94  -101    84   0.20000  1.0 3.0
   92    94   101   102   0.15000  1.0 3.0
   92    94   101   103   0.15000  1.0 3.0
   93    92    94    95   0.15000  1.0 3.0
   93    92    94    96   0.15000  1.0 3.0
   93    92    94   101   0.15000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97    99   0.15000  1.0 3.0
   94    92    97   100   0.15000  1.0 3.0
   95    94   101    84   0.15000  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   96    94   101    84   0.15000  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
  101    84    86    87   0.15000  1.0 3.0
  101    84    86    88   0.15000  1.0 3.0
  101    84   -86    89   0.56750  1.0 1.0
  101    84   -86    89  -0.07550 -1.0 2.0
  101    84   -86    89   0.20000  1.0 3.0
   97    92    94    95   0.15000  1.0 3.0
   97    92    94    96   0.15000  1.0 3.0
   97    92    94   101   0.56750  1.0 1.0
   97    92    94   101  -0.07550 -1.0 2.0
   97    92    94   101   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.43900  1.0 1.0
   40    33    37    44   0.49100 -1.0 2.0
   40    33    37    44   0.28400  1.0 3.0
   40    33    49    45  -0.95700  1.0 1.0
   40    33    49    45  -0.18200 -1.0 2.0
   40    33    49    45   0.29450  1.0 3.0
   40    33    49    50   0.15000  1.0 3.0
   40    33    49    53   0.56750  1.0 1.0
   40    33    49    53  -0.07550 -1.0 2.0
   40    33    49    53   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   47    45    44    37   1.00000 -1.0 2.0
   44    49    45    46  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   52    47    51    56   1.00000 -1.0 2.0
   67    77    66    63   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   77    73    72    71   1.10000 -1.0 2.0
   72    78    77    66   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   83    80    82    84   1.00000 -1.0 2.0
END
