* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    195    302     557
    1     0 S   NP   _N1_     1    28.41264    97.94034   -15.31139
    2     1 S   H    _HN1     2     1.02824    64.52385   136.38073
    3     1 S   H    _H1_     3     1.02772    59.04476   -90.42404
    4     1 S   H    _H2_     4     1.02984    84.73819    24.63374
    5     1 S   CT   _CA1     5     1.50226   164.89053  -148.54181
    6     5 S   HC   _HA1     6     1.09575   105.21958    -9.62235
    7     5 S   CO3  _C1_     7     1.53760   112.30216  -129.69040
    8     7 S   O2Z  _O11     8     1.26359   114.99862   -42.28653
    9     7 S   O2Z  _O12     9     1.26250   114.88942   136.50184
   10     5 S   CT   _CB1    10     1.52972   107.20679   108.13479
   11    10 S   HC   HB11    11     1.09802   109.06831   -51.14091
   12    10 S   HC   HB12    12     1.09725   110.20138    65.23269
   13    10 S   CT   _CG1    13     1.53005   113.14474  -172.78517
   14    13 S   HC   HG11    14     1.09591   110.10900   -65.27922
   15    13 S   HC   HG12    15     1.09613   110.35716    53.93733
   16    13 S   C    _CD1    16     1.51861   111.82551   173.61678
   17    16 S   O    _OE1    17     1.22790   123.00833   -19.84952
   18    16 S   N    _N2_    18     1.38504   112.14165   161.60639
   19    18 S   H    _HN2    19     1.01555   119.34016     3.94615
   20    18 S   CT1  _CA2    20     1.45891   122.62571  -178.51102
   21    20 S   HC   _HA2    21     1.09580   109.48324    23.60981
   22    20 S   C    _C2_    22     1.52544   105.26230   -94.18795
   23    22 S   O    _O2_    23     1.23021   122.37974   -75.48008
   24    20 S   CT   _CB2    32     1.53337   111.81743   146.22041
   25    24 S   HC   HB21    33     1.09377   110.68191    54.63693
   26    24 S   HC   HB22    34     1.09472   108.97792   173.70263
   27    22 S   N    _N3_    24     1.38445   113.00697   100.38890
   28    27 S   H    _HN3    25     1.01676   120.22655     2.25082
   29    24 S   S    _SG2    35     1.82632   109.81161   -66.78470
   30    27 S   CT   _CA3    26     1.45375   122.62162  -179.01186
   31    30 S   HC   HA31    27     1.09546   107.27778   -72.69066
   32    30 S   HC   HA32    28     1.09570   108.26899    43.72896
   33    29 S   CT   _C11    36     1.85952   102.95915   171.91034
   34    30 S   CO3  _C3_    29     1.52888   114.31523   166.36286
   35    34 S   O2Z  _O31    30     1.26310   116.09343    12.92736
   36    34 S   O2Z  _O32    31     1.26459   114.45402  -166.95532
   37    33 S   CM   _C12    37     1.54733   107.30850   -91.63188
   38    33 S   CM   _C15   105     1.51594   113.17530    36.79688
   39    38 S   HC   _H12   106     1.08882   117.01955    36.43703
   40    37 S   CMA  _C13    38     1.35310   109.60074  -111.68471
   41    40 S   OM   _O33    39     1.25352   136.75959  -179.72446
   42    37 S   CT   _C14   101     1.49400   124.02934    67.57928
   43    42 S   HC   _H9_   102     1.09392   110.69504   -70.05993
   44    42 S   HC   _H10   103     1.09501   111.73963   170.48357
   45    42 S   HC   _H11   104     1.09307   111.42600    50.74599
   46    38 S   CM   _C16   107     1.34033   127.22853  -146.56579
   47    46 S   HC   _H13   108     1.08547   120.04392  -178.27614
   48    46 S   HC   _H14   109     1.08368   122.37491     0.33804
   49    40 S   NE   _N5_    40     1.37552   109.43100     0.66323
   50    49 S   H    _H8_    41     1.00806   121.39863  -178.32836
   51    33 S   CM   _C10    42     1.55993   107.44070   160.14375
   52    51 S   CM   _C9_    43     1.34787   131.44656   -73.94524
   53    52 S   HC   _H7_    44     1.08754   118.32178  -175.45188
   54    52 S   C5A  _C8_    45     1.41492   124.89477    -2.56101
   55    54 S   C5BC _C5_    46     1.38549   132.46745  -117.08386
   56    55 S   C5BC _C6_    47     1.43735   106.94623   176.20816
   57    55 S   CT   _C4_    97     1.48871   125.87091    -0.34605
   58    57 S   HC   _H3_    98     1.09364   111.48062  -150.98012
   59    57 S   HC   _H4_    99     1.09489   111.16705   -31.48753
   60    57 S   HC   _H5_   100     1.09439   110.19417    88.36376
   61    56 S   C5A  _C7_    48     1.39155   107.27309     2.71310
   62    56 S   CT   _C34    88     1.50291   126.66736  -176.04185
   63    62 S   HC   _H30    89     1.09766   108.59408  -143.83188
   64    62 S   HC   _H31    90     1.09565   110.02995   -28.83040
   65    54 S   NA   _N4_    49     1.37033   119.85026    65.26137
   66    65 S   H    _H6_    50     1.01299   124.68160    -0.58950
   67    61 S   CM   _C17    51     1.42385   131.74822  -175.56072
   68    67 S   HC   _H15    52     1.08657   115.14601    12.36005
   69    62 S   CT   _C35    91     1.52662   113.04864    95.55918
   70    69 S   HC   _H32    92     1.09713   109.11025   167.41453
   71    69 S   HC   _H33    93     1.09658   111.03798    49.97320
   72    67 S   CM   _C18    53     1.34384   126.24587  -168.47313
   73    69 S   CO3  _C36    94     1.52913   112.56578   -73.96738
   74    73 S   O2Z  _O38    95     1.26344   115.36347   -59.78661
   75    73 S   O2Z  _O37    96     1.26326   115.03935   121.35975
   76    72 S   CM   _C19    54     1.45653   125.97965  -177.48394
   77    76 S   CM   _C20    55     1.34126   109.95194  -179.93147
   78    76 S   CT   _C31    79     1.50163   123.78324    -0.57267
   79    78 S   HC   _H26    80     1.09703   110.03465  -156.72265
   80    78 S   HC   _H27    81     1.09713   109.92284   -42.02750
   81    77 S   CD   _C21    56     1.47790   101.64329    -0.05935
   82    77 S   CT   _C30    75     1.48014   131.52826  -178.84716
   83    82 S   HC   _H23    76     1.09452   110.57957   123.14723
   84    82 S   HC   _H24    77     1.09344   112.26913     3.57259
   85    82 S   HC   _H25    78     1.09444   110.50749  -116.64196
   86    78 S   CT   _C32    82     1.52753   112.30552    81.63718
   87    86 S   HC   _H28    83     1.09701   110.31760   -56.49295
   88    86 S   HC   _H29    84     1.09732   109.55625    61.12777
   89    72 S   NI   _N6_    57     1.37571   126.08722     2.48160
   90    81 S   CM   _C22    58     1.48586   118.48404  -179.72446
   91    90 S   HC   _H16    59     1.08362   116.02683    -0.08156
   92    86 S   CO3  _C33    85     1.53188   114.71633  -177.83653
   93    92 S   O2Z  _O36    86     1.26515   114.11179   178.62257
   94    92 S   O2Z  _O35    87     1.26165   116.68623    -1.20837
   95    90 S   CMA  _C23    60     1.34837   123.42832   178.50787
   96    95 S   CM   _C26    61     1.45922   121.39889  -177.58735
   97    96 S   CM   _C25    62     1.33730   109.41020   179.62051
   98    96 S   CT   _C27    71     1.49567   123.32563     1.74899
   99    98 S   HC   _H17    72     1.09495   110.50810   -67.60645
  100    98 S   HC   _H18    73     1.09337   112.62836   171.97273
  101    98 S   HC   _H19    74     1.09502   110.93699    52.91922
  102    97 S   C    _C24    63     1.48138   104.41421    -0.84673
  103   102 S   O    _O34    64     1.22486   122.55393  -179.39219
  104    97 S   CM   _C28    66     1.43612   132.40867  -177.12193
  105   104 S   HC   _H20    67     1.08745   115.92584   134.14661
  106    95 S   NM   _N7_    65     1.35588   131.37520     1.58733
  107   104 S   CM   _C29    68     1.33784   125.25054   -48.46917
  108   107 S   HC   _H21    69     1.08487   120.18463  -178.69209
  109   107 S   HC   _H22    70     1.08461   122.12899     0.43160
  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  10   5   4   3
  18   2   1   1  13   9   4   9   4   5   2   1   1   3   1   1
   5   2   5   8   3  11  13  17   6   2   1   1  11  10   5   4
   4   1   7   3   5   4   3  10   2   1   1  15  13  11   5   4
  10   5   2   1   1   5   4   3   3   7   3   2   1   1  10  11
  12   6   2   1   1   5   2   5   3   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    49    51    52    42    38    39    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    49    50    51    52    53    54    42    43    44    45    38    39    46    47    48  
   35    36  
   36  
    0  
   40    41    49    50    51    52    42    43    44    45    38    39    46  
   39    46    47    48    40    42    49    51    52  
   46    47    48    51  
   41    49    50    51    52    42    43    44    45  
   49    50    51    42  
   43    44    45    49    51  
   44    45  
   45  
    0  
   47    48    51  
   48  
    0  
   50    51    52    53    54  
   51    52  
   52    53    54    55    65  
   53    54    55    56    61    65    66    57  
   54    55    65  
   55    56    61    65    66    67    62    57    58    59    60  
   56    61    65    66    67    62    63    64    69    57    58    59    60  
   61    65    66    67    68    72    62    63    64    69    70    71    73    57    58    59    60  
   58    59    60    61    62    65  
   59    60  
   60  
    0  
   65    66    67    68    72    76    89    62    63    64    69  
   63    64    69    70    71    73    74    75    65    67  
   64    69    70    71    73  
   69    70    71    73  
   66    67    68    72  
   67  
   68    72    76    77    81    89    78  
   72    76    89  
   70    71    73    74    75  
   71    73    74    75  
   73    74    75  
   76    77    81    89    90    82    78    79    80    86  
   74    75  
   75  
    0  
   77    81    89    90    82    83    84    85    78    79    80    86    87    88    92  
   81    89    90    91    95    82    83    84    85    78    79    80    86  
   79    80    86    87    88    92    93    94    81    82    89  
   80    86    87    88    92  
   86    87    88    92  
   89    90    91    95    96   106    82    83    84    85  
   83    84    85    89    90  
   84    85  
   85  
    0  
   87    88    92    93    94  
   88    92    93    94  
   92    93    94  
   90    91    95  
   91    95    96    97   102   106    98  
   95    96   106  
   93    94  
   94  
    0  
   96    97   102   103   106   104    98    99   100   101  
   97   102   103   106   104   105   107    98    99   100   101  
  102   103   106   104   105   107   108   109    98    99   100   101  
   99   100   101   102   104   106  
  100   101  
  101  
    0  
  103   106   104   105   107  
  106   104  
  105   107   108   109   106  
  107   108   109  
    0  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.894200   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   90   3.5500   0.0760  -0.737500   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   95   3.5500   0.0760   1.360900   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760  -0.619200   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.679200   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
  107   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   2.4200   0.0300   0.115000   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   317.000  1.510
   33    51   317.000  1.510
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    49   415.000  1.382
   49    50   434.000  1.010
   49    51   425.000  1.378
   51    52   549.000  1.340
   52    53   340.000  1.080
   52    54   375.000  1.423
   54    55   546.000  1.367
   54    65   427.000  1.381
   55    56   469.000  1.424
   55    57   285.000  1.502
   56    61   546.000  1.367
   56    62   285.000  1.502
   61    65   427.000  1.381
   61    67   375.000  1.423
   65    66   434.000  1.010
   67    68   340.000  1.080
   67    72   549.000  1.340
   72    76   380.000  1.444
   72    89   405.000  1.380
   76    77   549.000  1.340
   76    78   317.000  1.510
   77    81   320.000  1.464
   77    82   317.000  1.510
   81    89   500.000  1.261
   81    90   320.000  1.464
   90    91   340.000  1.080
   90    95   465.000  1.376
   95    96   465.000  1.376
   95   106   500.000  1.344
   96    97   549.000  1.340
   96    98   317.000  1.510
   97   102   410.000  1.444
   97   104   380.000  1.444
  102   103   570.000  1.229
  102   106   495.000  1.346
  104   105   340.000  1.080
  104   107   549.000  1.340
  107   108   340.000  1.080
  107   109   340.000  1.080
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    92   317.000  1.522
   92    93   656.000  1.250
   92    94   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   38    39   340.000  1.080
   38    46   549.000  1.340
   46    47   340.000  1.080
   46    48   340.000  1.080
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  112.20000
   29    33    51    75.00000  112.20000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    51    49    75.00000  116.24600
   33    51    52    70.00000  124.00000
   33    38    39    35.00000  117.00000
   33    38    46    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    49    75.00000  114.40000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    49    50    50.00000  121.48000
   40    49    51    75.00000  118.45600
   49    40    41   105.00000  113.92000
   49    51    52    70.00000  124.03900
   51    33    37    70.00000  110.12100
   51    49    50    35.00000  114.50000
   51    52    53    35.00000  120.00000
   51    52    54    55.00000  128.24000
   52    54    55    50.00000  133.16000
   52    54    65    70.00000  120.38000
   54    52    53    40.00000  117.26300
   54    55    56    70.00000  107.30000
   54    55    57    60.00000  130.00000
   54    65    61    70.00000  109.80000
   54    65    66    35.00000  120.00000
   55    56    61    70.00000  107.30000
   55    56    62    60.00000  130.00000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   56    61    65    70.00000  107.70000
   56    61    67    50.00000  133.16000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    69    70.00000  112.17500
   61    65    66    35.00000  120.00000
   61    67    68    40.00000  117.26300
   61    67    72    55.00000  128.24000
   65    54    55    70.00000  107.70000
   67    61    65    70.00000  120.38000
   67    72    76    70.00000  123.01800
   67    72    89    70.00000  120.83400
   72    67    68    35.00000  120.00000
   72    76    77    70.00000  123.01800
   72    76    78    70.00000  124.00000
   72    89    81    75.00000  115.77100
   76    77    81    60.00000  120.31500
   76    77    82    70.00000  124.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    86    70.00000  112.02700
   77    81    89    70.00000  121.86000
   77    81    90    65.00000  123.36000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   81    90    91    40.00000  114.85300
   81    90    95    60.00000  120.31500
   89    72    76    70.00000  120.83400
   90    81    89    70.00000  121.86000
   90    95    96    70.00000  123.01800
   90    95   106    65.00000  126.19400
   95    90    91    40.00000  120.50800
   95    96    97    70.00000  117.34000
   95    96    98    70.00000  124.00000
   95   106   102    80.00000  117.00000
   96    97   102    70.00000  118.70000
   96    97   104    70.00000  123.01800
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   97   102   103    80.00000  125.30000
   97   102   106    70.00000  121.56000
   97   104   105    35.00000  120.00000
   97   104   107    70.00000  123.01800
  106    95    96    65.00000  126.19400
  106   102   103    85.00000  128.94100
  104    97   102    70.00000  118.70000
  104   107   108    35.00000  120.00000
  104   107   109    35.00000  120.00000
  107   104   105    35.00000  120.00000
  109   107   108    35.00000  117.00000
   98    96    97    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   82    77    81    65.00000  117.22000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    76    77    70.00000  124.00000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    92    70.00000  109.69300
   80    78    79    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    80    37.50000  110.70000
   86    92    93    70.00000  117.00000
   86    92    94    70.00000  117.00000
   88    86    87    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    88    35.00000  109.50000
   94    92    93    80.00000  126.00000
   62    56    61    60.00000  130.00000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    73    70.00000  109.69300
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   75    73    74    80.00000  126.00000
   57    55    56    60.00000  130.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    37    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    51    70.00000  110.12100
   38    46    47    35.00000  120.00000
   38    46    48    35.00000  120.00000
   46    38    39    35.00000  120.00000
   48    46    47    35.00000  117.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    51    49   0.09700  1.0 1.0
   29    33    51    49   0.15600 -1.0 2.0
   29    33    51    49  -0.50800  1.0 3.0
   29    33    51    52   0.42700  1.0 1.0
   29    33    51    52  -0.70350 -1.0 2.0
   29    33    51    52  -0.43150  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    49   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    51    52    53   7.00000 -1.0 2.0
   33    51    52    54   7.00000 -1.0 2.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    48   7.00000 -1.0 2.0
   37    33   -51    49  -1.35150  1.0 1.0
   37    33   -51    49   0.13900 -1.0 2.0
   37    33   -51    49   0.25250  1.0 3.0
   37    33    51    52  -0.28300  1.0 1.0
   37    33    51    52   0.26700 -1.0 2.0
   37    33    51    52  -0.63300  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    46  -0.28300  1.0 1.0
   37    33    38    46   0.26700 -1.0 2.0
   37    33    38    46  -0.63300  1.0 3.0
   37    40    49    50   1.00000 -1.0 2.0
   37    40   -49    51  -0.54500  1.0 1.0
   37    40   -49    51   1.14150 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    49   -51    33   1.00000 -1.0 2.0
   40    49    51    52  -0.54500  1.0 1.0
   40    49    51    52   1.14150 -1.0 2.0
   41    40    49    50   1.00000 -1.0 2.0
   41    40    49    51   1.00000 -1.0 2.0
   49    51    52    53   7.00000 -1.0 2.0
   49    51    52    54   7.00000 -1.0 2.0
   50    49    51    33   2.40850 -1.0 2.0
   50    49    51    52   1.00000 -1.0 2.0
   51    33   -37    40  -0.28300  1.0 1.0
   51    33   -37    40   0.26700 -1.0 2.0
   51    33   -37    40  -0.63300  1.0 3.0
   51    33    37    42   0.09700  1.0 1.0
   51    33    37    42   0.15600 -1.0 2.0
   51    33    37    42  -0.50800  1.0 3.0
   51    33    38    39   0.00000  1.0 1.0
   51    33    38    46  -0.28300  1.0 1.0
   51    33    38    46   0.26700 -1.0 2.0
   51    33    38    46  -0.63300  1.0 3.0
   51    52    54    55   0.15800  1.0 1.0
   51    52    54    55   1.85350 -1.0 2.0
   51    52    54    55  -0.48700  1.0 3.0
   51    52    54    65   0.11450  1.0 1.0
   51    52    54    65   1.85100 -1.0 2.0
   51    52    54    65  -0.49050  1.0 3.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54    65    61   3.62500 -1.0 2.0
   52    54    65    66   2.00000 -1.0 2.0
   53    52    54    55   0.56550  1.0 3.0
   53    52    54    65   0.54250  1.0 3.0
   54    55   -56    61   3.62500 -1.0 2.0
   54    55    56    62   3.62500 -1.0 2.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55    57    60   0.00000  1.0 1.0
   55    54   -65    61   3.62500 -1.0 2.0
   55    54    65    66   2.00000 -1.0 2.0
   55    56   -61    65   3.62500 -1.0 2.0
   55    56    61    67   3.62500 -1.0 2.0
   55    56    62    63   0.00000  1.0 1.0
   55    56    62    64   0.00000  1.0 1.0
   55    56    62    69   0.04150 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.00000  1.0 1.0
   56    61   -65    54   3.62500 -1.0 2.0
   56    61    65    66   2.00000 -1.0 2.0
   56    61    67    68   0.56550  1.0 3.0
   56    61    67    72   0.15800  1.0 1.0
   56    61    67    72   1.85350 -1.0 2.0
   56    61    67    72  -0.48700  1.0 3.0
   56    62    69    70   0.43200  1.0 3.0
   56    62    69    71   0.43200  1.0 3.0
   56    62    69    73  -2.95950  1.0 1.0
   56    62    69    73   0.02300  1.0 3.0
   61    56    62    63   0.00000  1.0 1.0
   61    56    62    64   0.00000  1.0 1.0
   61    56    62    69   0.04150 -1.0 2.0
   61    67    72    76   7.00000 -1.0 2.0
   61    67    72    89   7.00000 -1.0 2.0
   65    54   -55    56   3.62500 -1.0 2.0
   65    54    55    57   3.62500 -1.0 2.0
   65    61    67    68   0.54250  1.0 3.0
   65    61    67    72   0.11450  1.0 1.0
   65    61    67    72   1.85100 -1.0 2.0
   65    61    67    72  -0.49050  1.0 3.0
   67    61    65    54   3.62500 -1.0 2.0
   67    61    65    66   2.00000 -1.0 2.0
   67    72    76    77   0.28850  1.0 1.0
   67    72    76    77   2.61350 -1.0 2.0
   67    72    76    77   0.78400  1.0 3.0
   67    72    76    78  -0.18600  1.0 3.0
   67    72    89    81   1.00000 -1.0 2.0
   68    67    72    76   7.00000 -1.0 2.0
   68    67    72    89   7.00000 -1.0 2.0
   72    76   -77    81   7.00000 -1.0 2.0
   72    76    77    82   7.00000 -1.0 2.0
   72    76    78    79   0.00000  1.0 1.0
   72    76    78    80   0.00000  1.0 1.0
   72    76    78    86   0.98200  1.0 1.0
   72    76    78    86  -0.11900 -1.0 2.0
   72    76    78    86   0.24250  1.0 3.0
   76    72   -89    81   1.00000 -1.0 2.0
   76    77   -81    89   1.09650  1.0 1.0
   76    77   -81    89   0.48950 -1.0 2.0
   76    77   -81    89   0.49400  1.0 3.0
   76    77    81    90   0.69550 -1.0 2.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    84   0.00000  1.0 1.0
   76    77    82    85   0.00000  1.0 1.0
   76    78    86    87   0.15000  1.0 3.0
   76    78    86    88   0.15000  1.0 3.0
   76    78    86    92  -0.98800  1.0 1.0
   76    78    86    92   0.48800 -1.0 2.0
   76    78    86    92   0.76800  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    86   0.09850  1.0 1.0
   77    76    78    86   0.15250 -1.0 2.0
   77    76    78    86  -0.50650  1.0 3.0
   77    81   -89    72   6.00000 -1.0 2.0
   77    81    90    91   0.00000  1.0 1.0
   77    81    90    95   0.69550 -1.0 2.0
   81    77    82    83   0.00000  1.0 1.0
   81    77    82    84   0.00000  1.0 1.0
   81    77    82    85   0.00000  1.0 1.0
   81    90    95    96   7.00000 -1.0 2.0
   81    90    95   106   7.00000 -1.0 2.0
   89    72   -76    77  -0.18600  1.0 3.0
   89    72    76    78   1.08500 -1.0 2.0
   89    81    90    91   1.00600 -1.0 2.0
   89    81    90    95   1.09650  1.0 1.0
   89    81    90    95   0.48950 -1.0 2.0
   89    81    90    95   0.49400  1.0 3.0
   90    81    89    72   6.00000 -1.0 2.0
   90    95    96    97   7.00000 -1.0 2.0
   90    95    96    98   7.00000 -1.0 2.0
   90    95   106   102   0.00000  1.0 1.0
   91    90    95    96   7.00000 -1.0 2.0
   91    90    95   106   7.00000 -1.0 2.0
   95    96   -97   102   7.00000 -1.0 2.0
   95    96    97   104   7.00000 -1.0 2.0
   95    96    98    99   0.00000  1.0 1.0
   95    96    98   100   0.00000  1.0 1.0
   95    96    98   101   0.00000  1.0 1.0
   96    95  -106   102   0.00000  1.0 1.0
   96    97   102   103   1.00000 -1.0 2.0
   96    97  -102   106   0.50400  1.0 1.0
   96    97  -102   106   1.60000 -1.0 2.0
   96    97  -102   106  -0.01800  1.0 3.0
   96    97   104   105  -0.18600  1.0 3.0
   96    97   104   107   0.28850  1.0 1.0
   96    97   104   107   2.61350 -1.0 2.0
   96    97   104   107   0.78400  1.0 3.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   97   102  -106    95   2.45000 -1.0 2.0
   97   104   107   108   7.00000 -1.0 2.0
   97   104   107   109   7.00000 -1.0 2.0
  102    97   104   105   0.00000  1.0 1.0
  102    97   104   107  -0.18600  1.0 3.0
  103   102   106    95   2.45000 -1.0 2.0
  106    95   -96    97   7.00000 -1.0 2.0
  106    95    96    98   7.00000 -1.0 2.0
  104    97   102   103   1.00000 -1.0 2.0
  104    97   102   106   0.50400  1.0 1.0
  104    97   102   106   1.60000 -1.0 2.0
  104    97   102   106  -0.01800  1.0 3.0
  105   104   107   108   7.00000 -1.0 2.0
  105   104   107   109   7.00000 -1.0 2.0
   98    96    97   102   7.00000 -1.0 2.0
   98    96    97   104   7.00000 -1.0 2.0
   82    77    81    89   7.00000 -1.0 2.0
   82    77    81    90   7.00000 -1.0 2.0
   78    76    77    81   7.00000 -1.0 2.0
   78    76    77    82   7.00000 -1.0 2.0
   78    86    92    93   0.41150 -1.0 2.0
   78    86    92    94   0.41150 -1.0 2.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    92  -0.11250  1.0 3.0
   80    78    86    87   0.15000  1.0 3.0
   80    78    86    88   0.15000  1.0 3.0
   80    78    86    92  -0.11250  1.0 3.0
   87    86    92    93   0.00000  1.0 1.0
   87    86    92    94   0.00000  1.0 1.0
   88    86    92    93   0.00000  1.0 1.0
   88    86    92    94   0.00000  1.0 1.0
   62    56    61    65   3.62500 -1.0 2.0
   62    56    61    67   3.62500 -1.0 2.0
   62    69    73    74   0.41150 -1.0 2.0
   62    69    73    75   0.41150 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    73  -0.11250  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    73  -0.11250  1.0 3.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   71    69    73    74   0.00000  1.0 1.0
   71    69    73    75   0.00000  1.0 1.0
   57    55    56    61   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    49   7.00000 -1.0 2.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    51    49  -1.35150  1.0 1.0
   38    33    51    49   0.13900 -1.0 2.0
   38    33    51    49   0.25250  1.0 3.0
   38    33    51    52  -0.28300  1.0 1.0
   38    33    51    52   0.26700 -1.0 2.0
   38    33    51    52  -0.63300  1.0 3.0
   39    38    46    47   7.00000 -1.0 2.0
   39    38    46    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   49    41    40    37   1.10000 -1.0 2.0
   50    40    49    51   1.00000 -1.0 2.0
   33    49    51    52   1.10000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   55    65    54    52   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   61    62    56    55   4.00000 -1.0 2.0
   67    65    61    56   4.00000 -1.0 2.0
   66    54    65    61   1.00000 -1.0 2.0
   61    68    67    72   1.10000 -1.0 2.0
   76    89    72    67   1.10000 -1.0 2.0
   72    78    76    77   1.10000 -1.0 2.0
   81    82    77    76   1.10000 -1.0 2.0
   77    90    81    89  10.50000 -1.0 2.0
   81    91    90    95   1.10000 -1.0 2.0
   96   106    95    90   1.10000 -1.0 2.0
   95    98    96    97   1.10000 -1.0 2.0
  102   104    97    96   1.10000 -1.0 2.0
   97   106   102   103  10.50000 -1.0 2.0
   97   105   104   107  15.00000 -1.0 2.0
  108   109   107   104  15.00000 -1.0 2.0
   93    86    92    94  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
   33    39    38    46  15.00000 -1.0 2.0
   47    48    46    38  15.00000 -1.0 2.0
END
