* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    237     442
    1     0 S   NP   _N1_     1    28.65350    95.53920   -22.45855
    2     1 S   H    _HN1     2     1.02958    81.28452    26.77960
    3     1 S   H    _H1_     3     1.02833    33.01470   167.94921
    4     1 S   H    _H2_     4     1.02775    97.64246   -80.73729
    5     1 S   CT   _CA1     5     1.50132   141.05467   138.51366
    6     5 S   HC   _HA1     6     1.09581   105.18375    75.66105
    7     5 S   CO3  _C1_     7     1.53821   112.46811   -44.38504
    8     7 S   O2Z  _O11     8     1.26365   114.96416   -41.37476
    9     7 S   O2Z  _O12     9     1.26259   114.90338   137.63412
   10     5 S   CT   _CB1    10     1.53102   107.41153  -166.51018
   11    10 S   HC   HB11    11     1.09816   109.28385   -51.14822
   12    10 S   HC   HB12    12     1.09818   110.43293    65.43926
   13    10 S   CT   _CG1    13     1.52942   112.61458  -172.30765
   14    13 S   HC   HG11    14     1.09431   110.18461   -64.95948
   15    13 S   HC   HG12    15     1.09652   110.05491    54.14040
   16    13 S   C    _CD1    16     1.51761   112.56269   174.53729
   17    16 S   O    _OE1    17     1.22714   123.25156    -4.18736
   18    16 S   N    _N2_    18     1.38659   111.60240   176.54804
   19    18 S   H    _HN2    19     1.01572   118.97920     0.32746
   20    18 S   CT1  _CA2    20     1.46187   123.40069   178.29797
   21    20 S   HC   _HA2    21     1.09731   109.41621    -5.71556
   22    20 S   C    _C2_    22     1.53488   108.18658  -121.26535
   23    22 S   O    _O2_    23     1.23025   122.24314  -144.76540
   24    20 S   CT   _CB2    32     1.53288   111.72222   116.44460
   25    24 S   HC   HB21    33     1.09590   110.09021    56.15277
   26    24 S   HC   HB22    34     1.09529   110.25118   175.18090
   27    22 S   N    _N3_    24     1.38507   113.44929    42.44339
   28    27 S   H    _HN3    25     1.01509   118.94617    -0.48899
   29    24 S   S    _SG2    35     1.82415   111.95587   -64.83919
   30    27 S   CT   _CA3    26     1.45454   123.50817   175.29580
   31    30 S   HC   HA31    27     1.09518   109.31975    22.94785
   32    30 S   HC   HA32    28     1.09498   107.10397   139.95646
   33    29 S   CT   _C21    36     1.81799    98.53707   178.54720
   34    33 S   HC   _H3_    37     1.09401   110.23192   -51.48239
   35    33 S   HC   _H4_    38     1.09483   108.06069    65.02976
   36    30 S   CO3  _C3_    29     1.52915   113.03926  -100.59144
   37    36 S   O2Z  _O31    30     1.26405   115.36811   -45.42935
   38    36 S   O2Z  _O32    31     1.26348   115.00372   135.48029
   39    33 S   CM   _C4_    39     1.49538   110.47776  -172.91014
   40    39 S   CMA  _C5_    40     1.35618   127.65650  -104.06375
   41    40 S   OM   _O20    41     1.26269   128.31142     2.54160
   42    40 S   OS   _O23    42     1.43724   109.17034  -175.95717
   43    42 S   CT   _C18    43     1.43323   102.75949   -22.67477
   44    43 S   HC   _H41    44     1.10156   106.48212   -78.41224
   45    39 S   CT   _C16    45     1.49656   122.64438    84.72463
   46    45 S   HC   _H39    46     1.10124   105.64899    84.12552
   47    45 S   CT   _C19    47     1.52470   123.93587   -41.87188
   48    47 S   HC   _H42    48     1.09648   110.64571   -52.72400
   49    47 S   CT   _C14    49     1.54505   108.04984  -174.87757
   50    49 S   HC   _H35    50     1.09874   109.00548   177.64233
   51    49 S   HC   _H36    51     1.10077   107.79532   -69.37484
   52    47 S   OS   _O26    70     1.44388   108.66372    68.08787
   53    49 S   CT   _C20    52     1.55807   115.49580    53.07952
   54    52 S   CO4  _C13    71     1.36005   117.14496  -159.53508
   55    54 S   O    _O22    72     1.22262   125.74527     0.58148
   56    53 S   CT   _C15    53     1.54077   109.07414    72.28887
   57    56 S   HC   _H37    54     1.09448   112.87302   -52.37014
   58    56 S   HC   _H38    55     1.09714   110.88396    66.03226
   59    53 S   CM   _C11    65     1.53321   106.02650  -172.18445
   60    59 S   HC   _H34    66     1.09070   115.32019   -65.14956
   61    54 S   CM   _C12    73     1.48986   109.88572  -179.62727
   62    56 S   OS   _O24    56     1.44290   113.60553  -174.10801
   63    59 S   CM   _C9_    67     1.33907   128.51948   113.63850
   64    63 S   HC   _H30    68     1.08553   119.93819  -179.47066
   65    63 S   HC   _H31    69     1.08253   123.08733     0.01978
   66    61 S   CM   _C10    74     1.34227   117.10659  -175.26894
   67    66 S   HC   _H32    75     1.08553   120.99251   179.63470
   68    66 S   HC   _H33    76     1.08550   122.57388    -1.05090
   69    61 S   CT   _C22    77     1.49879   120.72493     3.70449
   70    69 S   HC   _H45    78     1.09445   110.99475   -52.79103
   71    69 S   HC   _H46    79     1.09542   111.59286  -172.79277
   72    62 S   CO4  _C7_    57     1.35408   124.55026    33.72934
   73    72 S   O    _O21    58     1.22726   120.63008   172.66273
   74    69 S   OH   _O25    80     1.42140   109.47377    67.78454
   75    74 S   HO   _H47    81     0.97227   107.03131  -177.64582
   76    72 S   CM   _C6_    59     1.48194   116.86210    -8.90430
   77    43 S   CT   _C17    60     1.53854   114.64215   160.22001
   78    77 S   HC   _H40    61     1.09967   106.97996   -56.86644
   79    76 S   CM   _C8_    62     1.34387   116.95887  -169.71256
   80    79 S   HC   _H28    63     1.08588   120.76989   178.97073
   81    79 S   HC   _H29    64     1.08509   122.80415    -1.42450
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  12   5  12   6
  15   6   5   6  14   9   3  11   5   4   8   4   8   5   3   1
   1   6   2   1   4   3   2   7   3   1   1   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    47  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    77    52  
   41    42    43    44    45    46    47    77  
   42    43    45  
   43    44    45    46    47    53    76    77    78  
   44    45    46    47    48    49    53    56    72    76    77    78    79    59    52  
   45    46    47    53    76    77    78  
   46    47    48    49    50    51    53    76    77    78    52    54  
   47    48    49    77    52  
   48    49    50    51    53    56    77    59    52    54    55    61  
   49    50    51    53    52    54  
   50    51    53    56    57    58    62    76    77    78    59    60    63    52    54  
   51    53    56    77    59    52  
   53    56    77    59    52  
   54    55    61    66    69    53  
   56    57    58    62    72    76    77    78    79    59    60    63    64    65  
   55    61    66    67    68    69    70    71    74  
   61    66    69  
   57    58    62    72    73    76    77    78    59    60    63  
   58    62    72    77    59  
   62    72    77    59  
   60    63    64    65    62    76    77    78  
   63    64    65    77  
   66    67    68    69    70    71    74    75  
   72    73    76    77    79  
   64    65    77  
   65  
    0  
   67    68    69    70    71    74  
   68    69  
   69  
   70    71    74    75  
   71    74    75  
   74    75  
   73    76    77    78    79    80    81  
   76    77    79  
   75  
    0  
   77    78    79    80    81  
   78    79    80    81  
   79  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    77   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    56   268.000  1.529
   53    77   268.000  1.529
   53    59   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    72   214.000  1.327
   72    73   570.000  1.229
   72    76   320.000  1.462
   76    77   317.000  1.510
   76    79   549.000  1.340
   77    78   340.000  1.090
   79    80   340.000  1.080
   79    81   340.000  1.080
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    66   549.000  1.340
   61    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    47    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    77    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    77    53    58.35000  112.70000
   43    77    76    70.00000  112.02700
   43    77    78    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    52    50.00000  109.50000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    54    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    56    58.35000  112.70000
   49    53    77    58.35000  112.70000
   49    53    59    70.00000  112.02700
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    62    50.00000  109.50000
   53    77    76    70.00000  112.02700
   53    77    78    37.50000  110.70000
   53    59    60    35.00000  117.00000
   53    59    63    70.00000  124.00000
   56    62    72    83.00000  116.90000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    72    73    83.00000  123.40000
   62    72    76    90.00000  111.29400
   72    76    77    65.00000  116.34900
   72    76    79    65.00000  118.96000
   76    72    73    80.00000  123.72100
   76    77    78    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    81    35.00000  120.00000
   77    43    44    37.50000  110.70000
   77    43    45    58.35000  112.70000
   77    53    56    58.35000  112.70000
   79    76    77    70.00000  124.00000
   81    79    80    35.00000  117.00000
   59    53    56    70.00000  112.02700
   59    53    77    70.00000  112.02700
   59    63    64    35.00000  120.00000
   59    63    65    35.00000  120.00000
   63    59    60    35.00000  120.00000
   65    63    64    35.00000  117.00000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    66    65.00000  118.96000
   54    61    69    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    74    90.00000  110.39200
   68    66    67    35.00000  117.00000
   69    61    66    70.00000  124.00000
   69    74    75    55.00000  108.50000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.46850  1.0 1.0
   33    39    45    47   0.08550 -1.0 2.0
   33    39    45    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    49   0.34400  1.0 1.0
   39    45    47    49   0.09450 -1.0 2.0
   39    45    47    49   0.11100  1.0 3.0
   39    45    47    52   0.61850  1.0 1.0
   39    45    47    52  -0.22750 -1.0 2.0
   39    45    47    52   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09850  1.0 1.0
   40    39    45    47   0.15250 -1.0 2.0
   40    39    45    47  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    77  -0.46850  1.0 1.0
   40    42    43    77   0.09300 -1.0 2.0
   40    42    43    77  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    77    53   0.62750  1.0 1.0
   42    43    77    53  -0.30950 -1.0 2.0
   42    43    77    53   0.27300  1.0 3.0
   42    43    77    76   0.61850  1.0 1.0
   42    43    77    76  -0.22750 -1.0 2.0
   42    43    77    76   0.15300  1.0 3.0
   42    43    77    78   0.23400  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.56750  1.0 1.0
   43    45    47    49  -0.07550 -1.0 2.0
   43    45    47    49   0.20000  1.0 3.0
   43    45    47    52   0.62750  1.0 1.0
   43    45    47    52  -0.30950 -1.0 2.0
   43    45    47    52   0.27300  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    77    53   0.15000  1.0 3.0
   44    43    77    76   0.15000  1.0 3.0
   44    43    77    78   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    77    53   0.56750  1.0 1.0
   45    43    77    53  -0.07550 -1.0 2.0
   45    43    77    53   0.20000  1.0 3.0
   45    43    77    76   0.34400  1.0 1.0
   45    43    77    76   0.09450 -1.0 2.0
   45    43    77    76   0.11100  1.0 3.0
   45    43    77    78   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47   -49    53   0.56750  1.0 1.0
   45    47   -49    53  -0.07550 -1.0 2.0
   45    47   -49    53   0.20000  1.0 3.0
   45    47    52    54  -0.25900  1.0 1.0
   45    47    52    54  -0.47000 -1.0 2.0
   45    47    52    54   0.11750  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.23400  1.0 3.0
   47    49    53    56   0.56750  1.0 1.0
   47    49    53    56  -0.07550 -1.0 2.0
   47    49    53    56   0.20000  1.0 3.0
   47    49    53    77   0.56750  1.0 1.0
   47    49    53    77  -0.07550 -1.0 2.0
   47    49    53    77   0.20000  1.0 3.0
   47    49    53    59   0.34400  1.0 1.0
   47    49    53    59   0.09450 -1.0 2.0
   47    49    53    59   0.11100  1.0 3.0
   47    52    54    55   3.00000 -1.0 2.0
   47    52    54    61   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    54   0.08050  1.0 3.0
   49    47    52    54  -0.25900  1.0 1.0
   49    47    52    54  -0.47000 -1.0 2.0
   49    47    52    54   0.11750  1.0 3.0
   49    53    56    57   0.15000  1.0 3.0
   49    53    56    58   0.15000  1.0 3.0
   49    53    56    62   0.62750  1.0 1.0
   49    53    56    62  -0.30950 -1.0 2.0
   49    53    56    62   0.27300  1.0 3.0
   49    53   -77    43   0.56750  1.0 1.0
   49    53   -77    43  -0.07550 -1.0 2.0
   49    53   -77    43   0.20000  1.0 3.0
   49    53    77    76   0.34400  1.0 1.0
   49    53    77    76   0.09450 -1.0 2.0
   49    53    77    76   0.11100  1.0 3.0
   49    53    77    78   0.15000  1.0 3.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    63   0.09850  1.0 1.0
   49    53    59    63   0.15250 -1.0 2.0
   49    53    59    63  -0.50650  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   50    49    53    77   0.15000  1.0 3.0
   50    49    53    59   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   51    49    53    77   0.15000  1.0 3.0
   51    49    53    59   0.15000  1.0 3.0
   53    56    62    72  -0.25900  1.0 1.0
   53    56    62    72  -0.47000 -1.0 2.0
   53    56    62    72   0.11750  1.0 3.0
   53    59    63    64   7.00000 -1.0 2.0
   53    59    63    65   7.00000 -1.0 2.0
   56    53    77    43   0.56750  1.0 1.0
   56    53    77    43  -0.07550 -1.0 2.0
   56    53    77    43   0.20000  1.0 3.0
   56    53    77    76   0.34400  1.0 1.0
   56    53    77    76   0.09450 -1.0 2.0
   56    53    77    76   0.11100  1.0 3.0
   56    53    77    78   0.15000  1.0 3.0
   56    53    59    60   0.00000  1.0 1.0
   56    53    59    63   0.09850  1.0 1.0
   56    53    59    63   0.15250 -1.0 2.0
   56    53    59    63  -0.50650  1.0 3.0
   56    62    72    73   3.00000 -1.0 2.0
   56    62   -72    76   2.00000 -1.0 2.0
   57    56    62    72   0.08050  1.0 3.0
   58    56    62    72   0.08050  1.0 3.0
   62    72    76    77  -0.15000  1.0 1.0
   62    72    76    77   0.89550 -1.0 2.0
   62    72    76    77  -0.06900  1.0 3.0
   62    72    76    79  -0.56150  1.0 1.0
   62    72    76    79   2.19150 -1.0 2.0
   72    76    77    43   0.09700  1.0 1.0
   72    76    77    43   0.15600 -1.0 2.0
   72    76    77    43  -0.50800  1.0 3.0
   72    76   -77    53   0.09700  1.0 1.0
   72    76   -77    53   0.15600 -1.0 2.0
   72    76   -77    53  -0.50800  1.0 3.0
   72    76    77    78   0.15000  1.0 3.0
   72    76    79    80   7.00000 -1.0 2.0
   72    76    79    81   7.00000 -1.0 2.0
   73    72    76    77  -0.64400  1.0 1.0
   73    72    76    77   0.26850 -1.0 2.0
   73    72    76    79   1.00000 -1.0 2.0
   77    43    45    39   0.34400  1.0 1.0
   77    43    45    39   0.09450 -1.0 2.0
   77    43    45    39   0.11100  1.0 3.0
   77    43    45    46   0.15000  1.0 3.0
   77    43   -45    47   0.56750  1.0 1.0
   77    43   -45    47  -0.07550 -1.0 2.0
   77    43   -45    47   0.20000  1.0 3.0
   77    53    56    57   0.15000  1.0 3.0
   77    53    56    58   0.15000  1.0 3.0
   77    53   -56    62   0.62750  1.0 1.0
   77    53   -56    62  -0.30950 -1.0 2.0
   77    53   -56    62   0.27300  1.0 3.0
   77    53    59    60   0.00000  1.0 1.0
   77    53    59    63   0.09850  1.0 1.0
   77    53    59    63   0.15250 -1.0 2.0
   77    53    59    63  -0.50650  1.0 3.0
   77    76    79    80   7.00000 -1.0 2.0
   77    76    79    81   7.00000 -1.0 2.0
   79    76    77    43   0.09850  1.0 1.0
   79    76    77    43   0.15250 -1.0 2.0
   79    76    77    43  -0.50650  1.0 3.0
   79    76    77    53   0.09850  1.0 1.0
   79    76    77    53   0.15250 -1.0 2.0
   79    76    77    53  -0.50650  1.0 3.0
   79    76    77    78   0.00000  1.0 1.0
   59    53    56    57   0.15000  1.0 3.0
   59    53    56    58   0.15000  1.0 3.0
   59    53    56    62   0.61850  1.0 1.0
   59    53    56    62  -0.22750 -1.0 2.0
   59    53    56    62   0.15300  1.0 3.0
   59    53    77    43   0.34400  1.0 1.0
   59    53    77    43   0.09450 -1.0 2.0
   59    53    77    43   0.11100  1.0 3.0
   59    53    77    76   0.31000  1.0 1.0
   59    53    77    76   0.14700 -1.0 2.0
   59    53    77    76   0.07550  1.0 3.0
   59    53    77    78   0.15000  1.0 3.0
   60    59    63    64   7.00000 -1.0 2.0
   60    59    63    65   7.00000 -1.0 2.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    54    61    66  -0.56150  1.0 1.0
   52    54    61    66   2.19150 -1.0 2.0
   52    54    61    69  -0.15000  1.0 1.0
   52    54    61    69   0.89550 -1.0 2.0
   52    54    61    69  -0.06900  1.0 3.0
   54    61    66    67   7.00000 -1.0 2.0
   54    61    66    68   7.00000 -1.0 2.0
   54    61    69    70   0.15000  1.0 3.0
   54    61    69    71   0.15000  1.0 3.0
   54    61    69    74   0.09700  1.0 1.0
   54    61    69    74   0.15600 -1.0 2.0
   54    61    69    74  -0.50800  1.0 3.0
   55    54    61    66   1.00000 -1.0 2.0
   55    54    61    69  -0.64400  1.0 1.0
   55    54    61    69   0.26850 -1.0 2.0
   61    69    74    75  -0.07800  1.0 1.0
   61    69    74    75  -0.21500 -1.0 2.0
   61    69    74    75  -0.03150  1.0 3.0
   66    61    69    70   0.00000  1.0 1.0
   66    61    69    71   0.00000  1.0 1.0
   66    61    69    74   0.67800  1.0 1.0
   66    61    69    74   0.47050 -1.0 2.0
   66    61    69    74  -0.62500  1.0 3.0
   69    61    66    67   7.00000 -1.0 2.0
   69    61    66    68   7.00000 -1.0 2.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   62    76    72    73  10.50000 -1.0 2.0
   72    77    76    79   1.10000 -1.0 2.0
   80    81    79    76   1.10000 -1.0 2.0
   53    60    59    63  15.00000 -1.0 2.0
   64    65    63    59  15.00000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    69    61    66  15.00000 -1.0 2.0
   67    68    66    61  15.00000 -1.0 2.0
END
