* LIGAND DATABASE FILE (OPLS2005)
*
001     106   107    190    276     549
    1     0 S   NP   _N1_     1    33.47414   101.63600   -19.74869
    2     1 S   H    _HN1     2     1.03454   133.51022   -86.93272
    3     1 S   H    _H1_     3     1.02711    37.78908  -144.30390
    4     1 S   H    _H2_     4     1.02890   112.74157   126.02840
    5     1 S   CT   _CA1     5     1.50354    75.35286    20.33084
    6     5 S   HC   _HA1     6     1.09458   104.45028   170.77836
    7     5 S   CO3  _C1_     7     1.54701   111.39805    54.52119
    8     7 S   O2Z  _O11     8     1.26140   116.61732  -136.19152
    9     7 S   O2Z  _O12     9     1.26636   114.09098    42.75195
   10     5 S   CT   _CB1    10     1.53341   107.20368   -72.63015
   11    10 S   HC   HB11    11     1.09720   110.28735   -37.35317
   12    10 S   HC   HB12    12     1.09804   109.08160    78.43861
   13    10 S   CT   _CG1    13     1.53452   112.83350  -160.80049
   14    13 S   HC   HG11    14     1.09654   109.80564  -124.36908
   15    13 S   HC   HG12    15     1.09482   112.46982    -5.54631
   16    13 S   C    _CD1    16     1.51470   111.08821   116.89344
   17    16 S   O    _OE1    17     1.22898   121.59879    99.64478
   18    16 S   N    _N2_    18     1.38431   113.29423   -78.69825
   19    18 S   H    _HN2    19     1.01705   119.27723    -1.57545
   20    18 S   CT1  _CA2    20     1.46033   122.34860   176.05107
   21    20 S   HC   _HA2    21     1.09809   108.09413    29.16466
   22    20 S   C    _C2_    22     1.53328   110.92009   -85.82036
   23    22 S   O    _O2_    23     1.23222   120.68415   161.38632
   24    20 S   CT   _CB2    32     1.53148   111.85731   151.48609
   25    24 S   HC   HB21    33     1.09232   111.15457    44.21226
   26    24 S   HC   HB22    34     1.09545   110.57620   162.87776
   27    22 S   N    _N3_    24     1.38057   115.29512   -23.77335
   28    27 S   H    _HN3    25     1.01536   119.21139     3.07753
   29    24 S   S    _SG2    35     1.82818   110.89750   -79.24952
   30    27 S   CT   _CA3    26     1.45372   122.54229   177.55207
   31    30 S   HC   HA31    27     1.09575   107.30645   -71.59536
   32    30 S   HC   HA32    28     1.09482   108.62220    44.19190
   33    29 S   CT   _C23    36     1.83737   100.74719   122.08819
   34    33 S   HC   _H7_    37     1.09421   105.75792    45.73109
   35    30 S   CO3  _C3_    29     1.52605   113.37424   168.32109
   36    35 S   O2Z  _O31    30     1.26442   115.24029    48.90248
   37    35 S   O2Z  _O32    31     1.26286   115.17326  -131.28932
   38    33 S   CM   _C21    38     1.53385   111.64083   -76.07293
   39    33 S   CT   _C24   103     1.53033   108.44656   158.50231
   40    39 S   HC   _H26   104     1.09533   112.77348    55.54739
   41    39 S   HC   _H27   105     1.09571   110.70623   176.56516
   42    39 S   HC   _H28   106     1.09662   110.70562   -64.85288
   43    38 S   CMA  _C20    39     1.36925   122.58288   118.39171
   44    43 S   OM   _O38    40     1.26874   125.50072  -179.06938
   45    38 S   CT   _C22    98     1.52503   116.46046   -62.22026
   46    45 S   HC   _H23    99     1.09359   111.49961    45.44954
   47    45 S   HC   _H24   100     1.09443   112.85523   164.83566
   48    43 S   OS   _O36    41     1.41693   112.28101    -0.07133
   49    45 S   OH   _O37   101     1.42267   109.93227   -74.98235
   50    49 S   HO   _H25   102     0.97192   106.82822  -175.81844
   51    48 S   CT   _C19    42     1.43448   113.32311   132.29740
   52    51 S   HC   _H21    43     1.09705   110.89786   -44.43183
   53    51 S   HC   _H22    44     1.09671   109.62811    74.18319
   54    51 S   CM   _C16    45     1.50071   107.62965  -165.43185
   55    54 S   CM   _C17    46     1.34612   126.05619    88.75232
   56    55 S   HC   _H17    47     1.08900   119.29435   177.70603
   57    54 S   CO4  _C15    53     1.48555   116.03665   -93.59642
   58    57 S   O    _O34    54     1.22108   123.70026   -43.77163
   59    55 S   CT   _C18    48     1.49502   126.40042    -3.64115
   60    59 S   HC   _H18    49     1.09213   113.42817     1.00872
   61    59 S   HC   _H19    50     1.09475   109.47737  -120.07231
   62    57 S   OS   _O33    55     1.35697   109.15549   132.45107
   63    59 S   OH   _O35    51     1.42043   108.44760   121.69441
   64    63 S   HO   _H20    52     0.97233   106.96601   179.83098
   65    62 S   CT   _C13    56     1.44508   118.90425  -172.87947
   66    65 S   HC   _H6_    57     1.09851   109.30784   -27.61373
   67    65 S   CT   _C14    58     1.55231   107.72838  -141.97179
   68    67 S   HC   _H15    59     1.09815   108.51814   172.50957
   69    67 S   HC   _H16    60     1.09776   109.02061    57.78045
   70    65 S   CT   _C12    74     1.55724   111.11175    93.28284
   71    70 S   HC   _H5_    75     1.09768   108.37416   161.61220
   72    67 S   CM   _C5_    61     1.51734   115.01301   -64.31443
   73    70 S   CM   _C25    76     1.49476   112.26497   -77.94182
   74    72 S   CM   _C6_    62     1.34697   119.39689   -89.73331
   75    74 S   HC   _H11    63     1.08972   118.10977    -4.19022
   76    73 S   CO4  _C27    77     1.47184   110.06100   105.47797
   77    76 S   O    _O39    78     1.21724   127.19596  -170.96619
   78    73 S   CM   _C26    80     1.33587   128.04938   -77.13711
   79    78 S   HC   _H29    81     1.08472   120.80522     1.39465
   80    78 S   HC   _H30    82     1.08510   121.69033  -178.40223
   81    72 S   CT   _C4_    94     1.50335   115.92495    87.32099
   82    81 S   HC   _H8_    95     1.09296   110.84804   -69.52821
   83    81 S   HC   _H9_    96     1.09229   113.03221   169.37788
   84    81 S   HC   _H10    97     1.09520   110.15442    50.40527
   85    74 S   CT   _C7_    64     1.50420   127.46661   167.70477
   86    85 S   HC   _H12    65     1.09427   110.42597    39.14209
   87    85 S   HC   _H13    66     1.09764   107.48438   154.17327
   88   101 S   OS   _O40    79     1.44292   108.18825   127.65367
   89    85 S   CT   _C8_    67     1.55101   113.17957   -85.39742
   90    89 S   HC   _H3_    68     1.09869   107.69295  -169.72394
   91    89 S   CM   _C9_    69     1.52777   114.01855   -50.85280
   92    89 S   OS   _O41    87     1.44543   111.12987    73.79026
   93    91 S   CM   _C10    70     1.35152   127.33596    84.88398
   94    93 S   HC   _H14    71     1.08959   117.19960  -179.47773
   95    91 S   CT   _C28    83     1.51022   113.70735   -94.74806
   96    95 S   HC   _H31    84     1.09502   110.20040   -62.17341
   97    95 S   HC   _H32    85     1.09514   112.62394   177.76174
   98    95 S   HC   _H33    86     1.09494   110.21790    57.72695
   99    92 S   CO4  _C29    88     1.36094   118.03913    78.51443
  100    99 S   O    _O42    89     1.22354   126.33272     0.66617
  101    93 S   CT   _C11    72     1.51063   129.28333    -1.95405
  102   101 S   HC   _H4_    73     1.08777   111.32608    11.99851
  103    99 S   CT   _C30    90     1.49894   109.98625   179.36419
  104   103 S   HC   _H34    91     1.09153   109.38408   -95.74322
  105   103 S   HC   _H35    92     1.09336   109.19174   143.70738
  106   103 S   HC   _H36    93     1.09398   110.71904    25.35602
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2   6
   1   1   9   4   3  10   9   5   7   2   4   3   2  10   1   1
  16   8  14   5   4  14   7  10   9  12   5   8   3   4   1   1
   4   2   1   1   9   5   4   5  13   5  10   8   7   3   4   2
   1   1   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    57  
   50  
    0  
   52    53    54    55    56    59    57    58    62  
   53    54    55    57  
   54    55    57  
   55    56    59    60    61    63    57    58    62    65  
   56    59    60    61    63    64    57    58    62  
   59    60    61    63    57  
   58    62    65    66    67    70    59  
   62    65  
   60    61    63    64  
   61    63    64  
   63    64  
   65    66    67    68    69    72   101    70    71    73  
   64  
    0  
   66    67    68    69    72    74    93   101   102    70    71    73    76    88    78    81  
   67    68    69    72   101    70    71    73  
   68    69    72    74    75    85   101    70    71    73    81    82    83    84  
   69    72    74    70    81  
   72    74    70    81  
   71    73    76    77    88    78    79    80    72    91    93    94   101   102  
   73    76    88    78    93   101   102  
   74    75    85    86    87    89    81    82    83    84  
   76    77    88    78    79    80    93   101   102  
   75    85    86    87    89    90    91    92    81    82    83    84  
   85    86    87    89    81  
   77    88    78    79    80    93   101   102  
   88    78   101  
   79    80    88   101  
   80  
    0  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    89    90    91    93    95    92    99  
   87    89    90    91    92  
   89    90    91    92  
   91    93    94   101   102  
   90    91    93    94   101    95    96    97    98    92    99   100   103  
   91    93    95    92    99  
   93    94   101   102    95    96    97    98    92    99  
   99   100   103   104   105   106    93    95  
   94   101   102    95    96    97    98  
  101   102    95  
   96    97    98   101  
   97    98  
   98  
    0  
  100   103   104   105   106  
  103   104   105   106  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    57   320.000  1.462
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   320.000  1.410
   63    64   553.000  0.945
   57    58   570.000  1.229
   57    62   214.000  1.327
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.510
   72    74   549.000  1.340
   72    81   317.000  1.510
   74    75   340.000  1.080
   74    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    89   268.000  1.529
   89    90   340.000  1.090
   89    91   317.000  1.510
   89    92   320.000  1.410
   91    93   549.000  1.340
   91    95   317.000  1.510
   93    94   340.000  1.080
   93   101   317.000  1.510
  101   102   340.000  1.090
  101    70   268.000  1.529
  101    88   320.000  1.410
   70    71   340.000  1.090
   70    73   317.000  1.510
   73    76   320.000  1.462
   73    78   549.000  1.340
   76    77   570.000  1.229
   76    88   214.000  1.327
   78    79   340.000  1.080
   78    80   340.000  1.080
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   92    99   214.000  1.327
   99   100   570.000  1.229
   99   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    85.00000  110.90400
   51    54    55    70.00000  124.00000
   51    54    57    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    59    70.00000  124.00000
   54    57    58    80.00000  123.72100
   54    57    62    90.00000  111.29400
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    63    90.00000  110.39200
   59    55    56    35.00000  117.00000
   59    63    64    55.00000  108.50000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   57    54    55    65.00000  118.96000
   57    62    65    83.00000  116.90000
   62    57    58    83.00000  123.40000
   62    65    66    35.00000  109.50000
   62    65    67    50.00000  109.50000
   62    65    70    50.00000  109.50000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    70.00000  112.02700
   65    70   101    58.35000  112.70000
   65    70    71    37.50000  110.70000
   65    70    73    70.00000  112.02700
   67    65    66    37.50000  110.70000
   67    72    74    70.00000  124.00000
   67    72    81    65.00000  117.92700
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    85    70.00000  124.00000
   72    81    82    35.00000  109.50000
   72    81    83    35.00000  109.50000
   72    81    84    35.00000  109.50000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    89    70.00000  112.02700
   85    74    75    35.00000  117.00000
   85    89    90    37.50000  110.70000
   85    89    91    70.00000  112.02700
   85    89    92    50.00000  109.50000
   87    85    86    33.00000  107.80000
   89    85    86    37.50000  110.70000
   89    85    87    37.50000  110.70000
   89    91    93    70.00000  124.00000
   89    91    95    65.00000  117.92700
   89    92    99    83.00000  116.90000
   91    89    90    35.00000  109.50000
   91    93    94    35.00000  120.00000
   91    93   101    70.00000  124.00000
   91    95    96    35.00000  109.50000
   91    95    97    35.00000  109.50000
   91    95    98    35.00000  109.50000
   93   101   102    35.00000  109.50000
   93   101    70    70.00000  112.02700
   93   101    88    85.00000  110.90400
  101    93    94    35.00000  117.00000
  101    70    71    37.50000  110.70000
  101    70    73    70.00000  112.02700
  101    88    76    83.00000  116.90000
   70    65    66    37.50000  110.70000
   70    65    67    58.35000  112.70000
   70   101   102    37.50000  110.70000
   70    73    76    65.00000  116.34900
   70    73    78    70.00000  124.00000
   73    70    71    35.00000  109.50000
   73    76    77    80.00000  123.72100
   73    76    88    90.00000  111.29400
   73    78    79    35.00000  120.00000
   73    78    80    35.00000  120.00000
   88   101   102    35.00000  109.50000
   88   101    70    50.00000  109.50000
   88    76    77    83.00000  123.40000
   78    73    76    65.00000  118.96000
   80    78    79    35.00000  117.00000
   95    91    93    70.00000  124.00000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    85.00000  110.90400
   92    99   100    83.00000  123.40000
   92    99   103    81.00000  111.40000
   99   103   104    35.00000  109.50000
   99   103   105    35.00000  109.50000
   99   103   106    35.00000  109.50000
  103    99   100    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   81    72    74    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.48150  1.0 1.0
   43    48    51    54   0.09250 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.39000  1.0 1.0
   48    51    54    55  -0.05800 -1.0 2.0
   48    51    54    55  -0.55150  1.0 3.0
   48    51    54    57   0.09700  1.0 1.0
   48    51    54    57   0.15600 -1.0 2.0
   48    51    54    57  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    59   7.00000 -1.0 2.0
   51    54    57    58  -0.64400  1.0 1.0
   51    54    57    58   0.26850 -1.0 2.0
   51    54    57    62  -0.15000  1.0 1.0
   51    54    57    62   0.89550 -1.0 2.0
   51    54    57    62  -0.06900  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    57   0.15000  1.0 3.0
   54    55    59    60   0.00000  1.0 1.0
   54    55    59    61   0.00000  1.0 1.0
   54    55    59    63   0.67800  1.0 1.0
   54    55    59    63   0.47050 -1.0 2.0
   54    55    59    63  -0.62500  1.0 3.0
   54    57    62    65   2.00000 -1.0 2.0
   55    54    57    58   1.00000 -1.0 2.0
   55    54    57    62  -0.56150  1.0 1.0
   55    54    57    62   2.19150 -1.0 2.0
   55    59    63    64  -0.07800  1.0 1.0
   55    59    63    64  -0.21500 -1.0 2.0
   55    59    63    64  -0.03150  1.0 3.0
   56    55    59    60   0.33100  1.0 3.0
   56    55    59    61   0.33100  1.0 3.0
   56    55    59    63   0.00000  1.0 1.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64   0.19450  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    59   7.00000 -1.0 2.0
   57    62    65    66   0.08050  1.0 3.0
   57    62    65    67  -0.25900  1.0 1.0
   57    62    65    67  -0.47000 -1.0 2.0
   57    62    65    67   0.11750  1.0 3.0
   57    62    65    70  -0.25900  1.0 1.0
   57    62    65    70  -0.47000 -1.0 2.0
   57    62    65    70   0.11750  1.0 3.0
   58    57    62    65   3.00000 -1.0 2.0
   62    65    67    68   0.23400  1.0 3.0
   62    65    67    69   0.23400  1.0 3.0
   62    65    67    72   0.61850  1.0 1.0
   62    65    67    72  -0.22750 -1.0 2.0
   62    65    67    72   0.15300  1.0 3.0
   62    65    70   101   0.62750  1.0 1.0
   62    65    70   101  -0.30950 -1.0 2.0
   62    65    70   101   0.27300  1.0 3.0
   62    65    70    71   0.23400  1.0 3.0
   62    65    70    73   0.61850  1.0 1.0
   62    65    70    73  -0.22750 -1.0 2.0
   62    65    70    73   0.15300  1.0 3.0
   65    67    72    74   0.09850  1.0 1.0
   65    67    72    74   0.15250 -1.0 2.0
   65    67    72    74  -0.50650  1.0 3.0
   65    67    72    81   0.46850  1.0 1.0
   65    67    72    81   0.08550 -1.0 2.0
   65    67    72    81   0.09800  1.0 3.0
   65    70    73    76   0.09700  1.0 1.0
   65    70    73    76   0.15600 -1.0 2.0
   65    70    73    76  -0.50800  1.0 3.0
   65    70    73    78   0.09850  1.0 1.0
   65    70    73    78   0.15250 -1.0 2.0
   65    70    73    78  -0.50650  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70   101   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70   101   0.56750  1.0 1.0
   67    65    70   101  -0.07550 -1.0 2.0
   67    65    70   101   0.20000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    73   0.34400  1.0 1.0
   67    65    70    73   0.09450 -1.0 2.0
   67    65    70    73   0.11100  1.0 3.0
   67    72    74    75   7.00000 -1.0 2.0
   67    72    74    85   7.00000 -1.0 2.0
   67    72    81    82   0.34800  1.0 3.0
   67    72    81    83   0.34800  1.0 3.0
   67    72    81    84   0.34800  1.0 3.0
   68    67    72    74   0.00000  1.0 1.0
   68    67    72    81   0.34800  1.0 3.0
   69    67    72    74   0.00000  1.0 1.0
   69    67    72    81   0.34800  1.0 3.0
   72    74    85    86   0.00000  1.0 1.0
   72    74    85    87   0.00000  1.0 1.0
   72    74    85    89   0.09850  1.0 1.0
   72    74    85    89   0.15250 -1.0 2.0
   72    74    85    89  -0.50650  1.0 3.0
   74    72    81    82   0.00000  1.0 1.0
   74    72    81    83   0.00000  1.0 1.0
   74    72    81    84   0.00000  1.0 1.0
   74    85    89    90   0.15000  1.0 3.0
   74    85    89    91   0.31000  1.0 1.0
   74    85    89    91   0.14700 -1.0 2.0
   74    85    89    91   0.07550  1.0 3.0
   74    85    89    92   0.61850  1.0 1.0
   74    85    89    92  -0.22750 -1.0 2.0
   74    85    89    92   0.15300  1.0 3.0
   75    74    85    86   0.33100  1.0 3.0
   75    74    85    87   0.33100  1.0 3.0
   75    74    85    89   0.00000  1.0 1.0
   85    89    91    93   0.09850  1.0 1.0
   85    89    91    93   0.15250 -1.0 2.0
   85    89    91    93  -0.50650  1.0 3.0
   85    89    91    95   0.46850  1.0 1.0
   85    89    91    95   0.08550 -1.0 2.0
   85    89    91    95   0.09800  1.0 3.0
   85    89    92    99  -0.25900  1.0 1.0
   85    89    92    99  -0.47000 -1.0 2.0
   85    89    92    99   0.11750  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    91   0.15000  1.0 3.0
   86    85    89    92   0.23400  1.0 3.0
   87    85    89    90   0.15000  1.0 3.0
   87    85    89    91   0.15000  1.0 3.0
   87    85    89    92   0.23400  1.0 3.0
   89    91    93    94   7.00000 -1.0 2.0
   89    91    93   101   7.00000 -1.0 2.0
   89    91    95    96   0.34800  1.0 3.0
   89    91    95    97   0.34800  1.0 3.0
   89    91    95    98   0.34800  1.0 3.0
   89    92    99   100   3.00000 -1.0 2.0
   89    92    99   103   1.63150  1.0 1.0
   89    92    99   103   2.92000 -1.0 2.0
   90    89    91    93   0.00000  1.0 1.0
   90    89    91    95   0.34800  1.0 3.0
   90    89    92    99   0.08050  1.0 3.0
   91    89    92    99  -0.82050  1.0 1.0
   91    89    92    99   0.00600 -1.0 2.0
   91    89    92    99   0.04400  1.0 3.0
   91    93   101   102   0.00000  1.0 1.0
   91    93   101    70   0.09850  1.0 1.0
   91    93   101    70   0.15250 -1.0 2.0
   91    93   101    70  -0.50650  1.0 3.0
   91    93   101    88   0.39000  1.0 1.0
   91    93   101    88  -0.05800 -1.0 2.0
   91    93   101    88  -0.55150  1.0 3.0
   93    91    95    96   0.00000  1.0 1.0
   93    91    95    97   0.00000  1.0 1.0
   93    91    95    98   0.00000  1.0 1.0
   93   101    70    65   0.34400  1.0 1.0
   93   101    70    65   0.09450 -1.0 2.0
   93   101    70    65   0.11100  1.0 3.0
   93   101    70    71   0.15000  1.0 3.0
   93   101    70    73   0.31000  1.0 1.0
   93   101    70    73   0.14700 -1.0 2.0
   93   101    70    73   0.07550  1.0 3.0
   93   101    88    76  -0.82050  1.0 1.0
   93   101    88    76   0.00600 -1.0 2.0
   93   101    88    76   0.04400  1.0 3.0
   94    93   101   102   0.33100  1.0 3.0
   94    93   101    70   0.00000  1.0 1.0
   94    93   101    88   0.00000  1.0 1.0
  101    70   -73    76   0.09700  1.0 1.0
  101    70   -73    76   0.15600 -1.0 2.0
  101    70   -73    76  -0.50800  1.0 3.0
  101    70    73    78   0.09850  1.0 1.0
  101    70    73    78   0.15250 -1.0 2.0
  101    70    73    78  -0.50650  1.0 3.0
  102   101    70    65   0.15000  1.0 3.0
  102   101    70    71   0.15000  1.0 3.0
  102   101    70    73   0.15000  1.0 3.0
  102   101    88    76   0.08050  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    72   0.34400  1.0 1.0
   70    65    67    72   0.09450 -1.0 2.0
   70    65    67    72   0.11100  1.0 3.0
   70   101   -88    76  -0.25900  1.0 1.0
   70   101   -88    76  -0.47000 -1.0 2.0
   70   101   -88    76   0.11750  1.0 3.0
   70    73    76    77  -0.64400  1.0 1.0
   70    73    76    77   0.26850 -1.0 2.0
   70    73   -76    88  -0.15000  1.0 1.0
   70    73   -76    88   0.89550 -1.0 2.0
   70    73   -76    88  -0.06900  1.0 3.0
   70    73    78    79   7.00000 -1.0 2.0
   70    73    78    80   7.00000 -1.0 2.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    73    78   0.00000  1.0 1.0
   73    76   -88   101   2.00000 -1.0 2.0
   76    73    78    79   7.00000 -1.0 2.0
   76    73    78    80   7.00000 -1.0 2.0
   77    76    88   101   3.00000 -1.0 2.0
   88   101    70    65   0.62750  1.0 1.0
   88   101    70    65  -0.30950 -1.0 2.0
   88   101    70    65   0.27300  1.0 3.0
   88   101    70    71   0.23400  1.0 3.0
   88   101   -70    73   0.61850  1.0 1.0
   88   101   -70    73  -0.22750 -1.0 2.0
   88   101   -70    73   0.15300  1.0 3.0
   78    73    76    77   1.00000 -1.0 2.0
   78    73    76    88  -0.56150  1.0 1.0
   78    73    76    88   2.19150 -1.0 2.0
   95    91    93    94   7.00000 -1.0 2.0
   95    91    93   101   7.00000 -1.0 2.0
   92    89    91    93   0.39000  1.0 1.0
   92    89    91    93  -0.05800 -1.0 2.0
   92    89    91    93  -0.55150  1.0 3.0
   92    89    91    95   0.09700  1.0 1.0
   92    89    91    95   0.15600 -1.0 2.0
   92    89    91    95  -0.50800  1.0 3.0
   92    99   103   104   0.00000  1.0 1.0
   92    99   103   105   0.00000  1.0 1.0
   92    99   103   106   0.00000  1.0 1.0
  100    99   103   104   0.00000  1.0 1.0
  100    99   103   105   0.00000  1.0 1.0
  100    99   103   106   0.00000  1.0 1.0
   81    72    74    75   7.00000 -1.0 2.0
   81    72    74    85   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   51    57    54    55  15.00000 -1.0 2.0
   59    56    55    54  15.00000 -1.0 2.0
   54    62    57    58  10.50000 -1.0 2.0
   67    81    72    74   1.10000 -1.0 2.0
   85    75    74    72   1.10000 -1.0 2.0
   89    95    91    93   1.10000 -1.0 2.0
  101    94    93    91   1.10000 -1.0 2.0
   70    76    73    78   1.10000 -1.0 2.0
   73    88    76    77  10.50000 -1.0 2.0
   79    80    78    73   1.10000 -1.0 2.0
   92   103    99   100  10.50000 -1.0 2.0
END
