* LIGAND DATABASE FILE (OPLS2005)
*
001     104   104    189    274     548
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    97.25072   -55.71429
    3     1 S   H    _H1_     3     1.02050    82.12522    52.30056
    4     1 S   H    _H2_     4     1.02126    34.97772  -168.06201
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.85427    97.09452  -178.13785
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C14    37     1.54568   109.90030   -60.04789
   38    37 S   HC   _H35    38     1.10089   107.74775    74.00951
   39    33 S   OH   _O30   103     1.44263   106.72058    53.32456
   40    39 S   HO   _H70   104     0.96473   105.52485   -56.64081
   41    37 S   CM   _C5_    39     1.50948   113.28578  -168.05011
   42    37 S   CO4  _C13    88     1.50595   116.06153   -44.26287
   43    42 S   O    _O28    89     1.22933   120.90862   -58.82483
   44    41 S   CM   _C4_    40     1.34358   125.02004    12.94964
   45    41 S   OH   _O29    86     1.38812   115.24172  -163.90875
   46    45 S   HO   _H69    87     0.95959   109.37368    -2.98282
   47    42 S   CT   _C28    90     1.52067   116.08057   119.41562
   48    47 S   HC   _H66    91     1.09642   106.45989   -90.00336
   49    47 S   HC   _H67    92     1.09655   108.46213    25.92164
   50    44 S   CO4  _C6_    41     1.49890   120.05151     2.01421
   51    50 S   O    _O27    42     1.23303   119.05329  -172.35461
   52    44 S   CT   _C25    72     1.50220   124.05354  -177.40829
   53    52 S   HC   _H60    73     1.08911   108.68288    30.02315
   54    52 S   HC   _H61    74     1.09327   108.18990   145.21379
   55    47 S   CT   _C29    93     1.53640   113.84039   148.63848
   56    55 S   HC   _H68    94     1.09707   109.42642    59.75264
   57    33 S   CT   _C15    43     1.56572   113.06229   171.33705
   58    52 S   CM   _C7_    75     1.49727   111.73097   -94.93117
   59    58 S   HC   _H32    76     1.08965   114.33436   -58.95315
   60    55 S   CT   _C23    95     1.53048   111.44124   -59.96193
   61    60 S   HC   _H54    96     1.09546   110.64382   -59.57222
   62    60 S   HC   _H55    97     1.09497   111.31715    60.37378
   63    60 S   HC   _H56    98     1.09400   111.40010  -179.07380
   64    55 S   CT   _C24    99     1.53049   110.01737   178.09033
   65    64 S   HC   _H57   100     1.09462   110.79906    60.65432
   66    64 S   HC   _H58   101     1.09548   111.30725   -59.61529
   67    64 S   HC   _H59   102     1.09549   110.77445  -179.86012
   68    57 S   CT   _C26    44     1.54279   115.03506    58.30734
   69    68 S   HC   _H62    45     1.08139   106.82477   -39.58297
   70    68 S   HC   _H63    46     1.08355   106.32353    74.67122
   71    57 S   CT   _C27    58     1.55128   111.33467   -64.26097
   72    71 S   HC   _H64    59     1.07779   106.40496    60.42811
   73    71 S   HC   _H65    60     1.08168   105.87403   174.63202
   74    58 S   CM   _C10    77     1.34629   127.76757   122.67229
   75    68 S   CM   _C8_    47     1.48675   112.78604  -165.05266
   76    75 S   HC   _H33    48     1.08931   114.50380   -61.50011
   77    71 S   CM   _C9_    61     1.48290   112.47415   -65.10052
   78    77 S   HC   _H34    62     1.08916   114.56299   -62.32615
   79    74 S   CT   _C17    78     1.50218   125.21447  -179.96574
   80    79 S   HC   _H36    79     1.09464   110.14281    90.01716
   81    79 S   HC   _H37    80     1.09220   113.53532   -31.14879
   82    79 S   HC   _H38    81     1.09618   110.08060  -150.73864
   83    74 S   CT   _C18    82     1.50611   120.42033     0.49850
   84    83 S   HC   _H39    83     1.09574   112.40945    89.98298
   85    83 S   HC   _H40    84     1.09460   110.28961  -149.87324
   86    83 S   HC   _H41    85     1.09497   110.23654   -30.01094
   87    75 S   CM   _C11    49     1.34623   127.22231   121.72633
   88    77 S   CM   _C12    63     1.34603   127.16530   121.31144
   89    87 S   CT   _C19    50     1.50249   124.98361   180.00000
   90    89 S   HC   _H42    51     1.09419   110.08622    90.05129
   91    89 S   HC   _H43    52     1.09592   110.03204  -150.62579
   92    89 S   HC   _H44    53     1.09221   113.43893   -31.10092
   93    87 S   CT   _C20    54     1.50538   120.49555     0.67260
   94    93 S   HC   _H45    55     1.09546   112.41122    90.00567
   95    93 S   HC   _H46    56     1.09519   110.28932  -149.88683
   96    93 S   HC   _H47    57     1.09442   110.23859   -30.04811
   97    88 S   CT   _C21    64     1.50276   125.00540  -179.97202
   98    97 S   HC   _H48    65     1.09507   110.13336    89.93612
   99    97 S   HC   _H49    66     1.09599   110.02744  -150.70915
  100    97 S   HC   _H50    67     1.09237   113.44595   -31.15255
  101    88 S   CT   _C22    68     1.50494   120.49557     0.57130
  102   101 S   HC   _H51    69     1.09488   112.38904    90.01830
  103   101 S   HC   _H52    70     1.09532   110.33536  -149.82446
  104   101 S   HC   _H53    71     1.09573   110.25174   -29.98551
  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  11   5   4   3
  21   2   1   1  18   8   7   1  13  11   4  13   3   1  12   5
   4  14   4   8   4   3   9   8  12  10   3   7   3   2   1   3
   2   1   1  11   5   4   8   4   3   8  10   3  10   3   7   3
   2   1   3   2   1   1   8   8   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    57    68    71    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    50    51    57    68    69    70    75    71    72    73    77    45    42    43    47    39    40  
   35    36  
   36  
    0  
   38    41    44    50    57    68    71    52    45    46    42    43    47    48    49    55    39    40  
   41    44    57    45    42    43    47    39  
   40    41    42    50    57    68    71  
   57  
   44    50    51    57    52    53    54    58    45    46    42    43    47  
   43    47    48    49    55    56    60    64    44    45    57  
   47    48    49    55  
   50    51    57    68    71    52    53    54    58    59    74    45    46  
   46    50    52  
    0  
   48    49    55    56    60    61    62    63    64    65    66    67  
   49    55    56    60    64  
   55    56    60    64  
   51    57    68    69    70    75    71    72    73    77    52    53    54    58  
   57    68    71    52  
   53    54    58    59    74    79    83    57  
   54    58    59    74  
   58    59    74  
   56    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   68    69    70    75    76    87    71    72    73    77    78    88  
   59    74    79    80    81    82    83    84    85    86  
   74    79    83  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    75    76    87    89    93    71    72    73    77  
   70    75    76    87    71  
   75    76    87    71  
   72    73    77    78    88    97   101    75  
   73    77    78    88  
   77    78    88  
   79    80    81    82    83    84    85    86  
   76    87    89    90    91    92    93    94    95    96  
   87    89    93  
   78    88    97    98    99   100   101   102   103   104  
   88    97   101  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   89    90    91    92    93    94    95    96  
   97    98    99   100   101   102   103   104  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.510
   37    42   317.000  1.522
   41    44   549.000  1.340
   41    45   510.000  1.338
   44    50   320.000  1.462
   44    52   317.000  1.510
   50    51   570.000  1.229
   50    57   317.000  1.522
   57    68   268.000  1.529
   57    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   317.000  1.510
   75    76   340.000  1.080
   75    87   549.000  1.340
   87    89   317.000  1.510
   87    93   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   317.000  1.510
   77    78   340.000  1.080
   77    88   549.000  1.340
   88    97   317.000  1.510
   88   101   317.000  1.510
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   317.000  1.510
   58    59   340.000  1.080
   58    74   549.000  1.340
   74    79   317.000  1.510
   74    83   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   553.000  0.945
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    57    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    37    42    63.00000  111.10000
   33    57    50    63.00000  111.10000
   33    57    68    58.35000  112.70000
   33    57    71    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    44    70.00000  124.00000
   37    41    45    90.00000  109.34000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   41    37    38    35.00000  109.50000
   41    44    50    65.00000  118.96000
   41    44    52    70.00000  124.00000
   41    45    46    70.00000  107.45700
   44    50    51    80.00000  123.72100
   44    50    57    65.00000  118.62400
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    58    70.00000  110.12100
   50    57    68    63.00000  111.10000
   50    57    71    63.00000  111.10000
   57    33    37    58.35000  112.70000
   57    50    51    80.00000  120.40000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   57    68    75    70.00000  112.02700
   57    71    72    37.50000  110.70000
   57    71    73    37.50000  110.70000
   57    71    77    70.00000  112.02700
   68    75    76    35.00000  117.00000
   68    75    87    70.00000  124.00000
   70    68    69    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    70    35.00000  109.50000
   75    87    89    70.00000  124.00000
   75    87    93    70.00000  124.00000
   87    75    76    35.00000  120.00000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   87    93    94    35.00000  109.50000
   87    93    95    35.00000  109.50000
   87    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    87    89    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   71    57    68    58.35000  112.70000
   71    77    78    35.00000  117.00000
   71    77    88    70.00000  124.00000
   73    71    72    33.00000  107.80000
   77    71    72    35.00000  109.50000
   77    71    73    35.00000  109.50000
   77    88    97    70.00000  124.00000
   77    88   101    70.00000  124.00000
   88    77    78    35.00000  120.00000
   88    97    98    35.00000  109.50000
   88    97    99    35.00000  109.50000
   88    97   100    35.00000  109.50000
   88   101   102    35.00000  109.50000
   88   101   103    35.00000  109.50000
   88   101   104    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    88    97    65.00000  117.92700
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   52    44    50    65.00000  116.34900
   52    58    59    35.00000  117.00000
   52    58    74    70.00000  124.00000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   58    74    79    70.00000  124.00000
   58    74    83    70.00000  124.00000
   74    58    59    35.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   74    83    84    35.00000  109.50000
   74    83    85    35.00000  109.50000
   74    83    86    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    74    79    65.00000  117.92700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    41    44    80.00000  121.38400
   42    37    38    35.00000  109.50000
   42    37    41    70.00000  109.06800
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    55    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    55    56    37.50000  110.70000
   47    55    60    58.35000  112.70000
   47    55    64    58.35000  112.70000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   60    55    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    57    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    57    50   0.56750  1.0 1.0
   29    33    57    50  -0.07550 -1.0 2.0
   29    33    57    50   0.20000  1.0 3.0
   29    33    57    68   0.44750  1.0 1.0
   29    33    57    68  -0.17800 -1.0 2.0
   29    33    57    68   0.20200  1.0 3.0
   29    33    57    71   0.44750  1.0 1.0
   29    33    57    71  -0.17800 -1.0 2.0
   29    33    57    71   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    44   0.09850  1.0 1.0
   33    37    41    44   0.15250 -1.0 2.0
   33    37    41    44  -0.50650  1.0 3.0
   33    37    41    45   0.09700  1.0 1.0
   33    37    41    45   0.15600 -1.0 2.0
   33    37    41    45  -0.50800  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    47   0.60050  1.0 1.0
   33    37    42    47   0.05600 -1.0 2.0
   33    37    42    47   0.26150  1.0 3.0
   33    57    68    69   0.15000  1.0 3.0
   33    57    68    70   0.15000  1.0 3.0
   33    57    68    75   0.34400  1.0 1.0
   33    57    68    75   0.09450 -1.0 2.0
   33    57    68    75   0.11100  1.0 3.0
   33    57    71    72   0.15000  1.0 3.0
   33    57    71    73   0.15000  1.0 3.0
   33    57    71    77   0.34400  1.0 1.0
   33    57    71    77   0.09450 -1.0 2.0
   33    57    71    77   0.11100  1.0 3.0
   37    33    57    50  -0.95700  1.0 1.0
   37    33    57    50  -0.18200 -1.0 2.0
   37    33    57    50   0.29450  1.0 3.0
   37    33    57    68   0.56750  1.0 1.0
   37    33    57    68  -0.07550 -1.0 2.0
   37    33    57    68   0.20000  1.0 3.0
   37    33    57    71   0.56750  1.0 1.0
   37    33    57    71  -0.07550 -1.0 2.0
   37    33    57    71   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -44    50   7.00000 -1.0 2.0
   37    41    44    52   7.00000 -1.0 2.0
   37    41    45    46   2.00000 -1.0 2.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42    47    55   0.60050  1.0 1.0
   37    42    47    55   0.05600 -1.0 2.0
   37    42    47    55   0.26150  1.0 3.0
   38    37    41    44   0.00000  1.0 1.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    47   0.00000  1.0 1.0
   41    37    42    43   0.30150 -1.0 2.0
   41    37    42    47   0.65300  1.0 1.0
   41    37    42    47  -0.03850 -1.0 2.0
   41    37    42    47   0.33900  1.0 3.0
   41    44    50    51   1.00000 -1.0 2.0
   41    44    50    57  -0.33500  1.0 1.0
   41    44    50    57   1.06600 -1.0 2.0
   41    44    50    57  -0.14000  1.0 3.0
   41    44    52    53   0.00000  1.0 1.0
   41    44    52    54   0.00000  1.0 1.0
   41    44    52    58  -0.28300  1.0 1.0
   41    44    52    58   0.26700 -1.0 2.0
   41    44    52    58  -0.63300  1.0 3.0
   44    41    45    46  -0.66100  1.0 1.0
   44    41    45    46   1.20850 -1.0 2.0
   44    41    45    46  -0.36000  1.0 3.0
   44    50   -57    33   0.65300  1.0 1.0
   44    50   -57    33  -0.03850 -1.0 2.0
   44    50   -57    33   0.33900  1.0 3.0
   44    50    57    68   0.65300  1.0 1.0
   44    50    57    68  -0.03850 -1.0 2.0
   44    50    57    68   0.33900  1.0 3.0
   44    50    57    71   0.65300  1.0 1.0
   44    50    57    71  -0.03850 -1.0 2.0
   44    50    57    71   0.33900  1.0 3.0
   44    52    58    59   0.00000  1.0 1.0
   44    52    58    74  -0.28300  1.0 1.0
   44    52    58    74   0.26700 -1.0 2.0
   44    52    58    74  -0.63300  1.0 3.0
   50    44    52    53   0.15000  1.0 3.0
   50    44    52    54   0.15000  1.0 3.0
   50    44    52    58   0.09700  1.0 1.0
   50    44    52    58   0.15600 -1.0 2.0
   50    44    52    58  -0.50800  1.0 3.0
   50    57    68    69  -0.11250  1.0 3.0
   50    57    68    70  -0.11250  1.0 3.0
   50    57    68    75  -0.98800  1.0 1.0
   50    57    68    75   0.48800 -1.0 2.0
   50    57    68    75   0.76800  1.0 3.0
   50    57    71    72  -0.11250  1.0 3.0
   50    57    71    73  -0.11250  1.0 3.0
   50    57    71    77  -0.98800  1.0 1.0
   50    57    71    77   0.48800 -1.0 2.0
   50    57    71    77   0.76800  1.0 3.0
   51    50    57    33   0.30150 -1.0 2.0
   51    50    57    68   0.30150 -1.0 2.0
   51    50    57    71   0.30150 -1.0 2.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    41   0.34400  1.0 1.0
   57    33   -37    41   0.09450 -1.0 2.0
   57    33   -37    41   0.11100  1.0 3.0
   57    33    37    42  -0.95700  1.0 1.0
   57    33    37    42  -0.18200 -1.0 2.0
   57    33    37    42   0.29450  1.0 3.0
   57    33    39    40  -0.11600  1.0 1.0
   57    33    39    40  -0.09450 -1.0 2.0
   57    33    39    40   0.21250  1.0 3.0
   57    68    75    76   0.00000  1.0 1.0
   57    68    75    87   0.09850  1.0 1.0
   57    68    75    87   0.15250 -1.0 2.0
   57    68    75    87  -0.50650  1.0 3.0
   57    71    77    78   0.00000  1.0 1.0
   57    71    77    88   0.09850  1.0 1.0
   57    71    77    88   0.15250 -1.0 2.0
   57    71    77    88  -0.50650  1.0 3.0
   68    57    71    72   0.15000  1.0 3.0
   68    57    71    73   0.15000  1.0 3.0
   68    57    71    77   0.34400  1.0 1.0
   68    57    71    77   0.09450 -1.0 2.0
   68    57    71    77   0.11100  1.0 3.0
   68    75    87    89   7.00000 -1.0 2.0
   68    75    87    93   7.00000 -1.0 2.0
   69    68    75    76   0.33100  1.0 3.0
   69    68    75    87   0.00000  1.0 1.0
   70    68    75    76   0.33100  1.0 3.0
   70    68    75    87   0.00000  1.0 1.0
   75    87    89    90   0.00000  1.0 1.0
   75    87    89    91   0.00000  1.0 1.0
   75    87    89    92   0.00000  1.0 1.0
   75    87    93    94   0.00000  1.0 1.0
   75    87    93    95   0.00000  1.0 1.0
   75    87    93    96   0.00000  1.0 1.0
   76    75    87    89   7.00000 -1.0 2.0
   76    75    87    93   7.00000 -1.0 2.0
   89    87    93    94   0.34800  1.0 3.0
   89    87    93    95   0.34800  1.0 3.0
   89    87    93    96   0.34800  1.0 3.0
   93    87    89    90   0.34800  1.0 3.0
   93    87    89    91   0.34800  1.0 3.0
   93    87    89    92   0.34800  1.0 3.0
   71    57    68    69   0.15000  1.0 3.0
   71    57    68    70   0.15000  1.0 3.0
   71    57    68    75   0.34400  1.0 1.0
   71    57    68    75   0.09450 -1.0 2.0
   71    57    68    75   0.11100  1.0 3.0
   71    77    88    97   7.00000 -1.0 2.0
   71    77    88   101   7.00000 -1.0 2.0
   72    71    77    78   0.33100  1.0 3.0
   72    71    77    88   0.00000  1.0 1.0
   73    71    77    78   0.33100  1.0 3.0
   73    71    77    88   0.00000  1.0 1.0
   77    88    97    98   0.00000  1.0 1.0
   77    88    97    99   0.00000  1.0 1.0
   77    88    97   100   0.00000  1.0 1.0
   77    88   101   102   0.00000  1.0 1.0
   77    88   101   103   0.00000  1.0 1.0
   77    88   101   104   0.00000  1.0 1.0
   78    77    88    97   7.00000 -1.0 2.0
   78    77    88   101   7.00000 -1.0 2.0
   97    88   101   102   0.34800  1.0 3.0
   97    88   101   103   0.34800  1.0 3.0
   97    88   101   104   0.34800  1.0 3.0
  101    88    97    98   0.34800  1.0 3.0
  101    88    97    99   0.34800  1.0 3.0
  101    88    97   100   0.34800  1.0 3.0
   52    44    50    51  -0.64400  1.0 1.0
   52    44    50    51   0.26850 -1.0 2.0
   52    44    50    57   0.25700  1.0 1.0
   52    44    50    57   0.66200 -1.0 2.0
   52    44    50    57   0.04450  1.0 3.0
   52    58    74    79   7.00000 -1.0 2.0
   52    58    74    83   7.00000 -1.0 2.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    74   0.00000  1.0 1.0
   54    52    58    59   0.33100  1.0 3.0
   54    52    58    74   0.00000  1.0 1.0
   58    74    79    80   0.00000  1.0 1.0
   58    74    79    81   0.00000  1.0 1.0
   58    74    79    82   0.00000  1.0 1.0
   58    74    83    84   0.00000  1.0 1.0
   58    74    83    85   0.00000  1.0 1.0
   58    74    83    86   0.00000  1.0 1.0
   59    58    74    79   7.00000 -1.0 2.0
   59    58    74    83   7.00000 -1.0 2.0
   79    74    83    84   0.34800  1.0 3.0
   79    74    83    85   0.34800  1.0 3.0
   79    74    83    86   0.34800  1.0 3.0
   83    74    79    80   0.34800  1.0 3.0
   83    74    79    81   0.34800  1.0 3.0
   83    74    79    82   0.34800  1.0 3.0
   45    41    44    50   7.00000 -1.0 2.0
   45    41    44    52   7.00000 -1.0 2.0
   42    37    41    44  -0.51250  1.0 1.0
   42    37    41    44  -0.88800 -1.0 2.0
   42    37    41    44   0.08850  1.0 3.0
   42    37    41    45   0.09700  1.0 1.0
   42    37    41    45   0.15600 -1.0 2.0
   42    37    41    45  -0.50800  1.0 3.0
   42    47    55    56  -0.11250  1.0 3.0
   42    47    55    60  -0.95700  1.0 1.0
   42    47    55    60  -0.18200 -1.0 2.0
   42    47    55    60   0.29450  1.0 3.0
   42    47    55    64  -0.95700  1.0 1.0
   42    47    55    64  -0.18200 -1.0 2.0
   42    47    55    64   0.29450  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    55   0.30150 -1.0 2.0
   47    55    60    61   0.15000  1.0 3.0
   47    55    60    62   0.15000  1.0 3.0
   47    55    60    63   0.15000  1.0 3.0
   47    55    64    65   0.15000  1.0 3.0
   47    55    64    66   0.15000  1.0 3.0
   47    55    64    67   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    60   0.15000  1.0 3.0
   48    47    55    64   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    60   0.15000  1.0 3.0
   49    47    55    64   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    66   0.15000  1.0 3.0
   56    55    64    67   0.15000  1.0 3.0
   60    55    64    65   0.15000  1.0 3.0
   60    55    64    66   0.15000  1.0 3.0
   60    55    64    67   0.15000  1.0 3.0
   64    55    60    61   0.15000  1.0 3.0
   64    55    60    62   0.15000  1.0 3.0
   64    55    60    63   0.15000  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41   1.05650  1.0 1.0
   39    33    37    41   0.15600 -1.0 2.0
   39    33    37    41   0.53150  1.0 3.0
   39    33    37    42  -0.09450  1.0 1.0
   39    33    37    42  -1.12950 -1.0 2.0
   39    33    37    42   0.54000  1.0 3.0
   39    33    57    50  -0.09450  1.0 1.0
   39    33    57    50  -1.12950 -1.0 2.0
   39    33    57    50   0.54000  1.0 3.0
   39    33    57    68   0.86500  1.0 1.0
   39    33    57    68  -0.17500 -1.0 2.0
   39    33    57    68   0.20800  1.0 3.0
   39    33    57    71   0.86500  1.0 1.0
   39    33    57    71  -0.17500 -1.0 2.0
   39    33    57    71   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    41    44   1.10000 -1.0 2.0
   50    52    44    41   1.10000 -1.0 2.0
   44    57    50    51  10.50000 -1.0 2.0
   68    76    75    87  15.00000 -1.0 2.0
   89    93    87    75  15.00000 -1.0 2.0
   71    78    77    88  15.00000 -1.0 2.0
   97   101    88    77  15.00000 -1.0 2.0
   52    59    58    74  15.00000 -1.0 2.0
   79    83    74    58  15.00000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
END
