* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02112   106.57434   -17.27858
    3     1 S   H    _H1_     3     1.02113    57.80787    84.71740
    4     1 S   H    _H2_     4     1.02112    54.30344  -118.64566
    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     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C22    36     1.82229    98.15438  -180.00000
   34    33 S   HC   _H3_    37     1.09409   107.72119    41.53333
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C15    38     1.52747   109.62867   159.99008
   39    38 S   HC   _H40    39     1.09620   107.34124    58.30269
   40    33 S   CT   _C20    86     1.52236   109.82982   -77.47963
   41    40 S   HC   _H48    87     1.09558   110.43886   -61.97296
   42    40 S   HC   _H49    88     1.09563   111.21648   179.07148
   43    40 S   HC   _H50    89     1.09662   112.00768    57.73417
   44    38 S   CO4  _C7_    40     1.51946   109.68117   -57.67488
   45    44 S   O    _O22    41     1.22607   122.93279   116.19938
   46    38 S   CT   _C12    73     1.54025   111.20216   178.03477
   47    46 S   HC   _H35    74     1.09816   109.01425   -55.65438
   48    46 S   HC   _H36    75     1.09631   107.94516    58.90781
   49    44 S   OS   _O25    42     1.36474   111.04584   -64.84736
   50    49 S   CT   _C14    43     1.44353   117.84710  -176.27906
   51    50 S   HC   _H39    44     1.09650   111.12360   -23.85074
   52    50 S   CO4  _C6_    45     1.51985   104.32861    92.73821
   53    52 S   O    _O21    46     1.23063   121.53911   -88.14635
   54    50 S   CT   _C11    57     1.53394   107.90075  -142.61461
   55    54 S   HC   _H33    58     1.09941   106.75574    52.64731
   56    54 S   HC   _H34    59     1.09680   111.94442   -60.49768
   57    52 S   CM   _C5_    47     1.48304   118.75730    88.04560
   58    57 S   CM   _C4_    48     1.34095   116.41657    81.22188
   59    58 S   HC   _H28    49     1.08832   118.40847  -177.25690
   60    57 S   CT   _C10    64     1.49786   119.69957   -95.25479
   61    60 S   HC   _H31    65     1.09677   108.62005    94.34254
   62    60 S   HC   _H32    66     1.09603   110.76400  -145.47770
   63    58 S   CT   _C9_    50     1.50346   125.66275     0.85752
   64    63 S   HC   _H29    51     1.09714   112.91513    31.39070
   65    63 S   HC   _H30    52     1.09880   105.19603   145.15009
   66    60 S   OS   _O24    67     1.43598   110.09088   -25.97486
   67    63 S   NT   _N20    53     1.47034   111.71676   -95.28406
   68    66 S   CO4  _C8_    68     1.36566   116.28363   159.39420
   69    68 S   O    _O23    69     1.22440   125.55133     9.00017
   70    67 S   CT   _C13    54     1.47832   113.42642    85.34953
   71    70 S   HC   _H37    55     1.09854   106.92338   176.81925
   72    70 S   HC   _H38    56     1.09814   110.74554    61.65887
   73    67 S   CT   _C21    60     1.46843   109.76015  -152.23929
   74    73 S   HC   _H51    61     1.09292   110.06592   180.00000
   75    73 S   HC   _H52    62     1.09259   110.19816    59.96143
   76    73 S   HC   _H53    63     1.09376   110.19390   -59.97564
   77    68 S   CT   _C17    70     1.52930   110.14858  -169.74263
   78    77 S   CT   _C16    71     1.56142   111.19867    54.23596
   79    78 S   HC   _H41    72     1.09636   107.68467   -61.96803
   80    77 S   CT   _C19    80     1.53265   108.29814   -70.78294
   81    80 S   HC   _H45    81     1.08656   109.60448   180.00000
   82    80 S   HC   _H46    82     1.08713   109.52082    59.98257
   83    80 S   HC   _H47    83     1.08689   109.54932   -59.99474
   84    77 S   OH   _O26    84     1.42636   106.84799   172.84780
   85    84 S   HO   _H55    85     0.96940   106.46287    60.01929
   86    78 S   CT   _C18    76     1.53699   111.94402  -179.31557
   87    86 S   HC   _H42    77     1.08648   109.28547   -62.21333
   88    86 S   HC   _H43    78     1.08494   109.34000   177.84369
   89    86 S   HC   _H44    79     1.08532   109.32875    57.74649
  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
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
   9  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4
   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6
   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    78    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    77    78    79    46    47    48    86    40    41    42    43  
   44    45    49    78    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    54    78    46    47    48  
   49    50    46  
   47    48    86    87    88    89    80    84    49    68    77    78    79  
   48    86    77    78    79  
   86    77    78    79  
   50    51    52    53    57    70    54    55    56  
   51    52    53    57    58    67    70    71    72    54    55    56    60  
   52    53    57    70    54    55    56  
   53    57    58    59    63    70    54    55    56    60    61    62    66  
   57    58    54    60  
   55    56    73    57    63    67    70    71    72  
   56    67    70    71    72  
   67    70    71    72  
   58    59    63    64    65    67    60    61    62    66    68  
   59    63    64    65    67    70    73    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    77    63  
   62    66    68  
   66    68  
   64    65    67    70    71    72    73    74    75    76  
   65    67    70    73  
   67    70    73  
   68    69    77    78    80    84  
   70    71    72    73    74    75    76  
   69    77    78    79    86    80    81    82    83    84    85  
   77    78    80    84  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    86    87    88    89    80    81    82    83    84    85  
   79    86    87    88    89    80    81    82    83    84    85  
   86    87    88    89    80    84  
   81    82    83    84    85    86  
   82    83    84  
   83    84  
   84  
   85    86  
    0  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    77   317.000  1.522
   77    78   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   78    79   340.000  1.090
   78    46   268.000  1.529
   78    86   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    78    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    90.00000  108.74100
   49    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    57    65.00000  118.62400
   50    54    70    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    65.00000  118.96000
   52    57    60    65.00000  116.34900
   57    52    53    80.00000  123.72100
   57    58    59    35.00000  120.00000
   57    58    63    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    51.80000  107.20000
   63    67    73    51.80000  107.20000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    54    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    54    55    37.50000  110.70000
   70    54    56    37.50000  110.70000
   72    70    71    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    70    71    37.50000  110.70000
   54    70    72    37.50000  110.70000
   56    54    55    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    77    81.00000  111.40000
   68    77    78    63.00000  111.10000
   68    77    80    63.00000  111.10000
   68    77    84    90.00000  109.61100
   77    68    69    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    46    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   78    46    47    37.50000  110.70000
   78    46    48    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    78    79    37.50000  110.70000
   48    46    47    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    46    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    77    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    78    50.00000  109.50000
   84    77    80    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    78   0.56750  1.0 1.0
   33    38    46    78  -0.07550 -1.0 2.0
   33    38    46    78   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    78   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    78  -0.95700  1.0 1.0
   44    38    46    78  -0.18200 -1.0 2.0
   44    38    46    78   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -1.80650  1.0 1.0
   44    49    50    52   0.63900 -1.0 2.0
   44    49    50    52   0.03650  1.0 3.0
   44    49    50    54  -0.25900  1.0 1.0
   44    49    50    54  -0.47000 -1.0 2.0
   44    49    50    54   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.30150 -1.0 2.0
   49    50    52    57   0.65300  1.0 1.0
   49    50    52    57  -0.03850 -1.0 2.0
   49    50    52    57   0.33900  1.0 3.0
   49    50    54    70   0.62750  1.0 1.0
   49    50    54    70  -0.30950 -1.0 2.0
   49    50    54    70   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    56   0.23400  1.0 3.0
   50    52    57    58  -0.33500  1.0 1.0
   50    52    57    58   1.06600 -1.0 2.0
   50    52    57    58  -0.14000  1.0 3.0
   50    52    57    60   0.25700  1.0 1.0
   50    52    57    60   0.66200 -1.0 2.0
   50    52    57    60   0.04450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    54    70   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    70  -0.95700  1.0 1.0
   52    50    54    70  -0.18200 -1.0 2.0
   52    50    54    70   0.29450  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    57    58    59   7.00000 -1.0 2.0
   52    57    58    63   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    66   0.09700  1.0 1.0
   52    57    60    66   0.15600 -1.0 2.0
   52    57    60    66  -0.50800  1.0 3.0
   53    52    57    58   1.00000 -1.0 2.0
   53    52    57    60  -0.64400  1.0 1.0
   53    52    57    60   0.26850 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.90200  1.0 1.0
   57    58    63    67   0.57900 -1.0 2.0
   57    58    63    67  -0.62100  1.0 3.0
   57    60    66    68  -0.82050  1.0 1.0
   57    60    66    68   0.00600 -1.0 2.0
   57    60    66    68   0.04400  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    66   0.39000  1.0 1.0
   58    57    60    66  -0.05800 -1.0 2.0
   58    57    60    66  -0.55150  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   58    63    67    73  -0.60800  1.0 1.0
   58    63    67    73   1.10050 -1.0 2.0
   58    63    67    73   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    54   0.23450  1.0 1.0
   63    67    70    54   0.02050 -1.0 2.0
   63    67    70    54   0.25250  1.0 3.0
   63    67    73    74   0.28000  1.0 3.0
   63    67    73    75   0.28000  1.0 3.0
   63    67    73    76   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   64    63    67    73   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   65    63    67    73   0.28000  1.0 3.0
   67    70    54    50   1.53400  1.0 1.0
   67    70    54    50  -0.09950 -1.0 2.0
   67    70    54    50   0.05700  1.0 3.0
   67    70    54    55   0.15000  1.0 3.0
   67    70    54    56   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    54    50   0.15000  1.0 3.0
   71    70    54    55   0.15000  1.0 3.0
   71    70    54    56   0.15000  1.0 3.0
   72    70    54    50   0.15000  1.0 3.0
   72    70    54    55   0.15000  1.0 3.0
   72    70    54    56   0.15000  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    57   0.65300  1.0 1.0
   54    50    52    57  -0.03850 -1.0 2.0
   54    50    52    57   0.33900  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    54   0.23450  1.0 1.0
   73    67    70    54   0.02050 -1.0 2.0
   73    67    70    54   0.25250  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    77   1.63150  1.0 1.0
   60    66    68    77   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    77    78   0.36750  1.0 3.0
   66    68    77    80   0.36750  1.0 3.0
   66    68    77    84   0.30750  1.0 1.0
   66    68    77    84   1.13850 -1.0 2.0
   66    68    77    84   0.38850  1.0 3.0
   68    77    78    79  -0.11250  1.0 3.0
   68    77    78    46  -0.95700  1.0 1.0
   68    77    78    46  -0.18200 -1.0 2.0
   68    77    78    46   0.29450  1.0 3.0
   68    77    78    86  -0.95700  1.0 1.0
   68    77    78    86  -0.18200 -1.0 2.0
   68    77    78    86   0.29450  1.0 3.0
   68    77    80    81  -0.11250  1.0 3.0
   68    77    80    82  -0.11250  1.0 3.0
   68    77    80    83  -0.11250  1.0 3.0
   68    77    84    85   0.91850  1.0 1.0
   68    77    84    85   0.57950  1.0 3.0
   69    68    77    78   0.30150 -1.0 2.0
   69    68    77    80   0.30150 -1.0 2.0
   69    68    77    84   0.30150 -1.0 2.0
   77    78    46    38   0.56750  1.0 1.0
   77    78    46    38  -0.07550 -1.0 2.0
   77    78    46    38   0.20000  1.0 3.0
   77    78    46    47   0.15000  1.0 3.0
   77    78    46    48   0.15000  1.0 3.0
   77    78    86    87   0.15000  1.0 3.0
   77    78    86    88   0.15000  1.0 3.0
   77    78    86    89   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   78    77    84    85  -0.11600  1.0 1.0
   78    77    84    85  -0.09450 -1.0 2.0
   78    77    84    85   0.21250  1.0 3.0
   79    78    46    38   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    48   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    78    86    87   0.15000  1.0 3.0
   46    78    86    88   0.15000  1.0 3.0
   46    78    86    89   0.15000  1.0 3.0
   86    78    46    38   0.56750  1.0 1.0
   86    78    46    38  -0.07550 -1.0 2.0
   86    78    46    38   0.20000  1.0 3.0
   86    78    46    47   0.15000  1.0 3.0
   86    78    46    48   0.15000  1.0 3.0
   80    77    78    79   0.15000  1.0 3.0
   80    77    78    46   0.56750  1.0 1.0
   80    77    78    46  -0.07550 -1.0 2.0
   80    77    78    46   0.20000  1.0 3.0
   80    77    78    86   0.56750  1.0 1.0
   80    77    78    86  -0.07550 -1.0 2.0
   80    77    78    86   0.20000  1.0 3.0
   80    77    84    85  -0.11600  1.0 1.0
   80    77    84    85  -0.09450 -1.0 2.0
   80    77    84    85   0.21250  1.0 3.0
   84    77    78    79   0.23400  1.0 3.0
   84    77    78    46   0.86500  1.0 1.0
   84    77    78    46  -0.17500 -1.0 2.0
   84    77    78    46   0.20800  1.0 3.0
   84    77    78    86   0.86500  1.0 1.0
   84    77    78    86  -0.17500 -1.0 2.0
   84    77    78    86   0.20800  1.0 3.0
   84    77    80    81   0.23400  1.0 3.0
   84    77    80    82   0.23400  1.0 3.0
   84    77    80    83   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   37    30    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   50    57    52    53  10.50000 -1.0 2.0
   52    60    57    58   1.10000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   66    77    68    69  10.50000 -1.0 2.0
END
