* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    29.37851    91.61790   -19.67090
    2     1 S   H    _HN1     2     1.02950   116.08546    25.65206
    3     1 S   H    _H1_     3     1.02853    29.77443   104.55926
    4     1 S   H    _H2_     4     1.02796    78.02565   -78.88475
    5     1 S   CT   _CA1     5     1.50056   125.73107   172.40183
    6     5 S   HC   _HA1     6     1.09575   105.36771    30.39129
    7     5 S   CO3  _C1_     7     1.53951   111.92135   -89.90189
    8     7 S   O2Z  _O11     8     1.26397   115.19935   -57.69828
    9     7 S   O2Z  _O12     9     1.26215   114.88296   121.58456
   10     5 S   CT   _CB1    10     1.53088   107.41812   148.17055
   11    10 S   HC   HB11    11     1.09819   109.79856   -50.26261
   12    10 S   HC   HB12    12     1.09834   110.21609    66.25386
   13    10 S   CT   _CG1    13     1.53073   112.50795  -171.31893
   14    13 S   HC   HG11    14     1.09566   110.32695   -51.20957
   15    13 S   HC   HG12    15     1.09577   110.37444    67.94117
   16    13 S   C    _CD1    16     1.51734   111.50737  -171.71018
   17    16 S   O    _OE1    17     1.22762   122.97732   -20.83433
   18    16 S   N    _N2_    18     1.38562   111.93005   159.13048
   19    18 S   H    _HN2    19     1.01574   119.18526     4.48594
   20    18 S   CT1  _CA2    20     1.46255   123.15971  -171.49169
   21    20 S   HC   _HA2    21     1.09718   109.40472   -16.27787
   22    20 S   C    _C2_    22     1.53258   108.58284  -132.49620
   23    22 S   O    _O2_    23     1.23006   122.23910  -145.56324
   24    20 S   CT   _CB2    32     1.53637   110.86008   105.42437
   25    24 S   HC   HB21    33     1.09593   109.31886    57.46056
   26    24 S   HC   HB22    34     1.09494   110.83510   176.36127
   27    22 S   N    _N3_    24     1.38505   113.30631    41.78842
   28    27 S   H    _HN3    25     1.01540   118.90159    -0.50937
   29    24 S   S    _SG2    35     1.82800   111.61461   -63.39015
   30    27 S   CT   _CA3    26     1.45443   123.37438   175.10039
   31    30 S   HC   HA31    27     1.09529   109.14109    26.10902
   32    30 S   HC   HA32    28     1.09493   107.14504   143.09892
   33    29 S   CT   _C13    36     1.84453    99.70628   160.85033
   34    33 S   HC   _H3_    37     1.09451   111.07756   -13.18551
   35    30 S   CO3  _C3_    29     1.52932   113.18660   -97.29955
   36    35 S   O2Z  _O31    30     1.26396   115.43667   -43.85281
   37    35 S   O2Z  _O32    31     1.26360   114.96192   137.09215
   38    33 S   C3T  _C12    38     1.51368   104.08337   105.00013
   39    38 S   HC   _H31    39     1.07815   118.17402   -46.75184
   40    38 S   C3T  _C15    40     1.49057   108.62378    99.78944
   41    40 S   CT   _C10    41     1.52372   108.23682     0.51889
   42    41 S   HC   _H29    42     1.09857   105.41892   -94.43322
   43    38 S   O3T  _O18    70     1.43678   116.95871   163.34237
   44    40 S   CT   _C17    71     1.48619   120.18988  -146.14657
   45    44 S   HC   _H33    72     1.09550   111.64667   -21.85866
   46    44 S   HC   _H34    73     1.09389   110.82412  -141.39958
   47    44 S   HC   _H35    74     1.09448   110.73433    98.09804
   48    41 S   CT   _C11    43     1.52489   113.45665   146.94402
   49    48 S   HC   _H30    44     1.09901   110.14991   -55.52529
   50    33 S   CT   _C14    61     1.57778   115.79619  -141.09774
   51    48 S   CT   _C9_    45     1.52620   113.19162   177.50613
   52    51 S   HC   _H28    46     1.09785   111.08679   -44.24606
   53    50 S   OH   _O19    62     1.44494   106.18418   166.22442
   54    53 S   HO   _H39    63     0.97188   108.36433   -60.35946
   55    51 S   CM   _C4_    47     1.49566    98.59565  -155.57456
   56    51 S   CT   _C7_    54     1.52065   112.57064    80.13597
   57    56 S   HC   _H24    55     1.09701   110.39565   154.31156
   58    56 S   HC   _H25    56     1.09799   109.75405    39.21152
   59    55 S   CO4  _C5_    48     1.47934   107.58689    29.28656
   60    59 S   O    _O16    49     1.21697   127.39069   166.62174
   61    55 S   CM   _C6_    51     1.33568   131.19324  -149.70322
   62    61 S   HC   _H22    52     1.08392   121.58891    -1.07647
   63    61 S   HC   _H23    53     1.08552   121.50126   179.37882
   64    56 S   CT   _C8_    57     1.53394   115.87976   -84.74497
   65    64 S   HC   _H26    58     1.09916   105.92032   157.92217
   66    64 S   HC   _H27    59     1.09930   106.60677   -90.23216
   67    48 S   OS   _O17    50     1.44279   110.17104    61.74214
   68    64 S   CT   _C16    60     1.55871   120.82442    33.23031
   69    68 S   CT   _C18    64     1.54613   105.46317   161.50893
   70    69 S   HC   _H36    65     1.09085   112.66463   166.49432
   71    69 S   HC   _H37    66     1.09698   110.57145    49.44468
   72    69 S   HC   _H38    67     1.09435   111.98042   -70.72116
   73    68 S   OH   _O20    68     1.43170   108.02047   -84.36330
   74    73 S   HO   _H40    69     0.97619   108.50052   -57.72617
  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
  16   8   2   1   1  13   5  14  21   9   6   5   2   1   1  15
   7  15  15   8   5   1  10  11   5   4   5   2   3   1   1   9
   4   3   1   6   5   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    68    50    53    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    48    64    68    50    53    54    69    73    43    44  
   38    39    40    41    68    50    53    43  
   36    37  
   37  
    0  
   39    40    41    42    48    68    50    53    43    44    45    46    47  
   40    41    50    43    44  
   41    42    48    49    51    67    68    50    53    43    44    45    46    47  
   42    48    49    51    52    55    59    67    56    64    68    50    53    54    69    73    43    44    45    46    47  
   48    49    51    67    68    50    53    43    44  
   44    45    46    47    48    50  
   45    46    47    48    50  
   46    47  
   47  
    0  
   49    51    52    55    59    60    67    61    56    57    58    64    68    50    53  
   51    52    55    59    67    56    50  
   53    54    69    70    71    72    73    74    51    56    64    65    66    67    68  
   52    55    59    60    67    61    62    63    56    57    58    64    65    66    68  
   55    59    67    61    56    57    58    64  
   54    69    73    64    68  
   68  
   59    60    67    61    62    63    56    57    58    64  
   57    58    64    65    66    68    69    73    59    61    67  
   58    64    65    66    68  
   64    65    66    68  
   60    67    61    62    63  
   67    61  
   62    63    67  
   63  
    0  
   65    66    68    69    70    71    72    73    74  
   66    68    69    73  
   68    69    73  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   275.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    43   335.000  1.432
   40    41   275.000  1.510
   40    43   335.000  1.432
   40    44   275.000  1.510
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    50   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    67   320.000  1.410
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    56   268.000  1.529
   55    59   320.000  1.462
   55    61   549.000  1.340
   59    60   570.000  1.229
   59    67   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    50   268.000  1.529
   68    69   268.000  1.529
   68    73   320.000  1.410
   50    53   320.000  1.410
   53    54   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    50    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    43    80.00000  116.47100
   33    50    41    58.35000  112.70000
   33    50    68    58.35000  112.70000
   33    50    53    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    15.00000   60.43100
   38    40    44    60.00000  120.94000
   38    43    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    48    70.00000  112.37300
   40    41    50    70.00000  112.37300
   40    44    45    45.00000  109.38400
   40    44    46    45.00000  109.38400
   40    44    47    45.00000  109.38400
   41    48    49    37.50000  110.70000
   41    48    51    58.35000  112.70000
   41    48    67    50.00000  109.50000
   41    50    68    58.35000  112.70000
   41    50    53    50.00000  109.50000
   48    41    42    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    55    70.00000  112.02700
   48    51    56    58.35000  112.70000
   48    67    59    83.00000  116.90000
   51    48    49    37.50000  110.70000
   51    55    59    65.00000  116.34900
   51    55    61    70.00000  124.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   55    51    52    35.00000  109.50000
   55    59    60    80.00000  123.72100
   55    59    67    90.00000  111.29400
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   67    48    49    35.00000  109.50000
   67    48    51    50.00000  109.50000
   67    59    60    83.00000  123.40000
   61    55    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    68    50    58.35000  112.70000
   64    68    69    58.35000  112.70000
   64    68    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    50    53    50.00000  109.50000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.37300
   50    41    42    37.50000  110.70000
   50    41    48    58.35000  112.70000
   50    53    54    55.00000  108.50000
   69    68    50    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    50    50.00000  109.50000
   73    68    69    50.00000  109.50000
   43    38    39    50.00000  114.27700
   43    38    40    15.00000   60.43100
   43    40    41    80.00000  116.47100
   44    40    41    58.35000  112.70000
   44    40    43    80.00000  116.47100
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    41   0.44750  1.0 1.0
   29    33    50    41  -0.17800 -1.0 2.0
   29    33    50    41   0.20200  1.0 3.0
   29    33    50    68   0.44750  1.0 1.0
   29    33    50    68  -0.17800 -1.0 2.0
   29    33    50    68   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38   -40    43   0.02550  1.0 1.0
   33    38   -40    43  -0.02600 -1.0 2.0
   33    38   -40    43   1.20400  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -43    40   0.06250  1.0 1.0
   33    38   -43    40  -0.01100 -1.0 2.0
   33    38   -43    40   0.28050  1.0 3.0
   33    50    53    54  -0.11600  1.0 1.0
   33    50    53    54  -0.09450 -1.0 2.0
   33    50    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    41   0.15000  1.0 3.0
   34    33    50    68   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33   -50    41   0.47050  1.0 1.0
   38    33   -50    41   0.03900 -1.0 2.0
   38    33   -50    41   0.20100  1.0 3.0
   38    33    50    68   0.47050  1.0 1.0
   38    33    50    68   0.03900 -1.0 2.0
   38    33    50    68   0.20100  1.0 3.0
   38    33    50    53   0.86500  1.0 1.0
   38    33    50    53  -0.17500 -1.0 2.0
   38    33    50    53   0.20800  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    48   0.07850  1.0 1.0
   38    40    41    48  -0.03950 -1.0 2.0
   38    40    41    48   0.67350  1.0 3.0
   38    40   -41    50   0.07850  1.0 1.0
   38    40   -41    50  -0.03950 -1.0 2.0
   38    40   -41    50   0.67350  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    47   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38   -40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38   -43    40   0.36800  1.0 3.0
   40    41    48    49   0.15000  1.0 3.0
   40    41    48    51   0.47050  1.0 1.0
   40    41    48    51   0.03900 -1.0 2.0
   40    41    48    51   0.20100  1.0 3.0
   40    41    48    67  -0.26800  1.0 1.0
   40    41    48    67   0.69150 -1.0 2.0
   40    41    48    67  -0.48750  1.0 3.0
   40    41   -50    33   0.47050  1.0 1.0
   40    41   -50    33   0.03900 -1.0 2.0
   40    41   -50    33   0.20100  1.0 3.0
   40    41    50    68   0.47050  1.0 1.0
   40    41    50    68   0.03900 -1.0 2.0
   40    41    50    68   0.20100  1.0 3.0
   40    41    50    53   0.86500  1.0 1.0
   40    41    50    53  -0.17500 -1.0 2.0
   40    41    50    53   0.20800  1.0 3.0
   41    40   -43    38   0.06250  1.0 1.0
   41    40   -43    38  -0.01100 -1.0 2.0
   41    40   -43    38   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    48    51    52   0.15000  1.0 3.0
   41    48    51    55   0.34400  1.0 1.0
   41    48    51    55   0.09450 -1.0 2.0
   41    48    51    55   0.11100  1.0 3.0
   41    48    51    56   0.56750  1.0 1.0
   41    48    51    56  -0.07550 -1.0 2.0
   41    48    51    56   0.20000  1.0 3.0
   41    48    67    59  -0.25900  1.0 1.0
   41    48    67    59  -0.47000 -1.0 2.0
   41    48    67    59   0.11750  1.0 3.0
   41    50    53    54  -0.11600  1.0 1.0
   41    50    53    54  -0.09450 -1.0 2.0
   41    50    53    54   0.21250  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    51   0.15000  1.0 3.0
   42    41    48    67   0.23400  1.0 3.0
   42    41    50    33   0.15000  1.0 3.0
   42    41    50    68   0.15000  1.0 3.0
   42    41    50    53   0.23400  1.0 3.0
   48    41    50    33   0.56750  1.0 1.0
   48    41    50    33  -0.07550 -1.0 2.0
   48    41    50    33   0.20000  1.0 3.0
   48    41    50    68   0.56750  1.0 1.0
   48    41    50    68  -0.07550 -1.0 2.0
   48    41    50    68   0.20000  1.0 3.0
   48    41    50    53   0.86500  1.0 1.0
   48    41    50    53  -0.17500 -1.0 2.0
   48    41    50    53   0.20800  1.0 3.0
   48    51   -55    59   0.09700  1.0 1.0
   48    51   -55    59   0.15600 -1.0 2.0
   48    51   -55    59  -0.50800  1.0 3.0
   48    51    55    61   0.09850  1.0 1.0
   48    51    55    61   0.15250 -1.0 2.0
   48    51    55    61  -0.50650  1.0 3.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    64   0.56750  1.0 1.0
   48    51    56    64  -0.07550 -1.0 2.0
   48    51    56    64   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   49    48    51    56   0.15000  1.0 3.0
   49    48    67    59   0.08050  1.0 3.0
   51    48   -67    59  -0.25900  1.0 1.0
   51    48   -67    59  -0.47000 -1.0 2.0
   51    48   -67    59   0.11750  1.0 3.0
   51    55    59    60  -0.64400  1.0 1.0
   51    55    59    60   0.26850 -1.0 2.0
   51    55   -59    67  -0.15000  1.0 1.0
   51    55   -59    67   0.89550 -1.0 2.0
   51    55   -59    67  -0.06900  1.0 3.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    63   7.00000 -1.0 2.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    66   0.15000  1.0 3.0
   51    56    64    68   0.56750  1.0 1.0
   51    56    64    68  -0.07550 -1.0 2.0
   51    56    64    68   0.20000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.00000  1.0 1.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   55    51    56    57   0.15000  1.0 3.0
   55    51    56    58   0.15000  1.0 3.0
   55    51    56    64   0.34400  1.0 1.0
   55    51    56    64   0.09450 -1.0 2.0
   55    51    56    64   0.11100  1.0 3.0
   55    59   -67    48   2.00000 -1.0 2.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   60    59    67    48   3.00000 -1.0 2.0
   67    48    51    52   0.23400  1.0 3.0
   67    48   -51    55   0.61850  1.0 1.0
   67    48   -51    55  -0.22750 -1.0 2.0
   67    48   -51    55   0.15300  1.0 3.0
   67    48    51    56   0.62750  1.0 1.0
   67    48    51    56  -0.30950 -1.0 2.0
   67    48    51    56   0.27300  1.0 3.0
   61    55    59    60   1.00000 -1.0 2.0
   61    55    59    67  -0.56150  1.0 1.0
   61    55    59    67   2.19150 -1.0 2.0
   56    51    55    59   0.09700  1.0 1.0
   56    51    55    59   0.15600 -1.0 2.0
   56    51    55    59  -0.50800  1.0 3.0
   56    51    55    61   0.09850  1.0 1.0
   56    51    55    61   0.15250 -1.0 2.0
   56    51    55    61  -0.50650  1.0 3.0
   56    64    68    50   0.56750  1.0 1.0
   56    64    68    50  -0.07550 -1.0 2.0
   56    64    68    50   0.20000  1.0 3.0
   56    64    68    69   0.56750  1.0 1.0
   56    64    68    69  -0.07550 -1.0 2.0
   56    64    68    69   0.20000  1.0 3.0
   56    64    68    73   0.86500  1.0 1.0
   56    64    68    73  -0.17500 -1.0 2.0
   56    64    68    73   0.20800  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    68   0.15000  1.0 3.0
   64    68    50    33   0.56750  1.0 1.0
   64    68    50    33  -0.07550 -1.0 2.0
   64    68    50    33   0.20000  1.0 3.0
   64    68    50    41   0.56750  1.0 1.0
   64    68    50    41  -0.07550 -1.0 2.0
   64    68    50    41   0.20000  1.0 3.0
   64    68    50    53   0.86500  1.0 1.0
   64    68    50    53  -0.17500 -1.0 2.0
   64    68    50    53   0.20800  1.0 3.0
   64    68    69    70   0.15000  1.0 3.0
   64    68    69    71   0.15000  1.0 3.0
   64    68    69    72   0.15000  1.0 3.0
   64    68    73    74  -0.11600  1.0 1.0
   64    68    73    74  -0.09450 -1.0 2.0
   64    68    73    74   0.21250  1.0 3.0
   65    64    68    50   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   66    64    68    50   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    73   0.23400  1.0 3.0
   68    50    53    54  -0.11600  1.0 1.0
   68    50    53    54  -0.09450 -1.0 2.0
   68    50    53    54   0.21250  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.07850  1.0 1.0
   50    33   -38    40  -0.03950 -1.0 2.0
   50    33   -38    40   0.67350  1.0 3.0
   50    33    38    43   0.02550  1.0 1.0
   50    33    38    43  -0.02600 -1.0 2.0
   50    33    38    43   1.20400  1.0 3.0
   50    41    48    49   0.15000  1.0 3.0
   50    41    48    51   0.56750  1.0 1.0
   50    41    48    51  -0.07550 -1.0 2.0
   50    41    48    51   0.20000  1.0 3.0
   50    41    48    67   0.62750  1.0 1.0
   50    41    48    67  -0.30950 -1.0 2.0
   50    41    48    67   0.27300  1.0 3.0
   50    68    69    70   0.15000  1.0 3.0
   50    68    69    71   0.15000  1.0 3.0
   50    68    69    72   0.15000  1.0 3.0
   50    68    73    74  -0.11600  1.0 1.0
   50    68    73    74  -0.09450 -1.0 2.0
   50    68    73    74   0.21250  1.0 3.0
   69    68    50    33   0.56750  1.0 1.0
   69    68    50    33  -0.07550 -1.0 2.0
   69    68    50    33   0.20000  1.0 3.0
   69    68    50    41   0.56750  1.0 1.0
   69    68    50    41  -0.07550 -1.0 2.0
   69    68    50    41   0.20000  1.0 3.0
   69    68    50    53   0.86500  1.0 1.0
   69    68    50    53  -0.17500 -1.0 2.0
   69    68    50    53   0.20800  1.0 3.0
   69    68    73    74  -0.11600  1.0 1.0
   69    68    73    74  -0.09450 -1.0 2.0
   69    68    73    74   0.21250  1.0 3.0
   73    68    50    33   0.86500  1.0 1.0
   73    68    50    33  -0.17500 -1.0 2.0
   73    68    50    33   0.20800  1.0 3.0
   73    68    50    41   0.86500  1.0 1.0
   73    68    50    41  -0.17500 -1.0 2.0
   73    68    50    41   0.20800  1.0 3.0
   73    68    50    53   3.75450  1.0 1.0
   73    68    69    70   0.23400  1.0 3.0
   73    68    69    71   0.23400  1.0 3.0
   73    68    69    72   0.23400  1.0 3.0
   43    38   -40    41   0.02550  1.0 1.0
   43    38   -40    41  -0.02600 -1.0 2.0
   43    38   -40    41   1.20400  1.0 3.0
   43    38   -40    44   0.02550  1.0 1.0
   43    38   -40    44  -0.02600 -1.0 2.0
   43    38   -40    44   1.20400  1.0 3.0
   43    40    41    42   0.23400  1.0 3.0
   43    40    41    48   0.02550  1.0 1.0
   43    40    41    48  -0.02600 -1.0 2.0
   43    40    41    48   1.20400  1.0 3.0
   43    40   -41    50   0.02550  1.0 1.0
   43    40   -41    50  -0.02600 -1.0 2.0
   43    40   -41    50   1.20400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    48   0.56750  1.0 1.0
   44    40    41    48  -0.07550 -1.0 2.0
   44    40    41    48   0.20000  1.0 3.0
   44    40    41    50   0.56750  1.0 1.0
   44    40    41    50  -0.07550 -1.0 2.0
   44    40    41    50   0.20000  1.0 3.0
   44    40   -43    38   0.06250  1.0 1.0
   44    40   -43    38  -0.01100 -1.0 2.0
   44    40   -43    38   0.28050  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
   51    59    55    61   1.10000 -1.0 2.0
   55    67    59    60  10.50000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
END
