* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    145    221     418
    1     0 S   NP   _N1_     1    28.90107    94.69142   -19.21342
    2     1 S   H    _HN1     2     1.02939    87.47553    27.71873
    3     1 S   H    _H1_     3     1.02752    37.16955   150.44256
    4     1 S   H    _H2_     4     1.02769    85.30761   -81.06607
    5     1 S   CT   _CA1     5     1.50073   147.71382   153.32583
    6     5 S   HC   _HA1     6     1.09588   105.14951    57.82771
    7     5 S   CO3  _C1_     7     1.53674   112.76248   -62.08010
    8     7 S   O2Z  _O11     8     1.26362   114.92548   -35.77301
    9     7 S   O2Z  _O12     9     1.26233   114.77993   143.52431
   10     5 S   CT   _CB1    10     1.53086   107.35862   175.72653
   11    10 S   HC   HB11    11     1.09822   108.97436   -51.91632
   12    10 S   HC   HB12    12     1.09813   110.49294    64.54001
   13    10 S   CT   _CG1    13     1.52955   112.81598  -173.15676
   14    13 S   HC   HG11    14     1.09605   110.49157   -70.90853
   15    13 S   HC   HG12    15     1.09690   109.82024    48.28532
   16    13 S   C    _CD1    16     1.51808   112.47777   168.45904
   17    16 S   O    _OE1    17     1.22708   123.39977     5.06744
   18    16 S   N    _N2_    18     1.38558   111.43231  -174.41177
   19    18 S   H    _HN2    19     1.01602   118.84486    -0.80357
   20    18 S   CT1  _CA2    20     1.46186   123.74131   175.52884
   21    20 S   HC   _HA2    21     1.09734   109.46823     0.55532
   22    20 S   C    _C2_    22     1.53596   108.35767  -114.69255
   23    22 S   O    _O2_    23     1.23052   122.40339  -148.66410
   24    20 S   CT   _CB2    32     1.53207   111.18354   122.97815
   25    24 S   HC   HB21    33     1.09490   109.66957    53.03982
   26    24 S   HC   HB22    34     1.09520   110.65495   171.19440
   27    22 S   N    _N3_    24     1.38386   113.64643    38.98296
   28    27 S   H    _HN3    25     1.01587   119.51312    -3.63249
   29    24 S   S    _SG2    35     1.83475   111.02102   -70.72835
   30    27 S   CT   _CA3    26     1.45268   123.22120   177.04693
   31    30 S   HC   HA31    27     1.09550   107.54991   -63.75514
   32    30 S   HC   HA32    28     1.09558   107.93860    52.67143
   33    29 S   CT   _C22    36     1.83097   102.01141   133.87703
   34    33 S   OM   _O35    37     1.30893   112.53674    55.38087
   35    30 S   CO3  _C3_    29     1.52955   114.09393   174.66083
   36    35 S   O2Z  _O31    30     1.26374   116.08641     0.13270
   37    35 S   O2Z  _O32    31     1.26429   114.40925  -179.82529
   38    33 S   N    _N5_    38     1.44051   107.93798   172.85441
   39    38 S   H    _H22    39     1.01247   119.60833   -70.40071
   40    38 S   C    _C21    40     1.37900   119.71067   108.10202
   41    40 S   O    _O34    41     1.22710   124.06671  -177.94691
   42    40 S   CT   _C20    42     1.51811   112.16489     0.91835
   43    42 S   HC   _H3_    43     1.09585   107.40342  -105.89537
   44    33 S   S    _S1_    44     1.81096   111.49115   -72.01923
   45    42 S   CT   _C19    45     1.53200   110.88165   131.82035
   46    45 S   HC   _H20    46     1.09881   109.96740    45.02859
   47    45 S   HC   _H21    47     1.09868   111.02410   -70.01216
   48    45 S   CA   _C16    48     1.50935   113.46403   165.19617
   49    48 S   CA   _C15    49     1.39977   120.20569   -80.17083
   50    49 S   HA   _H17    50     1.08716   120.41026     0.05595
   51    49 S   CA   _C14    51     1.39570   120.43125  -179.81655
   52    51 S   HA   _H16    52     1.08743   119.33113  -179.83449
   53    51 S   CA   _C13    53     1.39724   120.58219    -0.72091
   54    53 S   CA   _C18    54     1.39595   119.24194     0.59149
   55    54 S   HA   _H19    55     1.08522   121.86751   179.54500
   56    53 S   OS   _O33    58     1.36912   114.93226  -179.94405
   57    48 S   CA   _C17    56     1.39965   120.94957    99.58115
   58    57 S   HA   _H18    57     1.08743   120.28622     0.17132
   59    56 S   CT   _C12    59     1.42887   116.80548   168.53664
   60    59 S   HC   _H14    60     1.09657   109.12125    67.54750
   61    59 S   HC   _H15    61     1.09692   110.66501   -53.13886
   62    59 S   CT   _C11    62     1.52898   108.75921  -174.66524
   63    62 S   HC   _H12    63     1.09714   109.61298   -51.69547
   64    62 S   HC   _H13    64     1.09651   109.84286  -169.05740
   65    62 S   CA   _C9_    65     1.50827   112.67704    69.44080
   66    65 S   CA   _C8_    66     1.39233   120.44075    77.58686
   67    66 S   HA   _H10    67     1.08517   121.19522     0.01978
   68    66 S   CA   _C7_    68     1.39246   118.71091  -179.94766
   69    68 S   HA   _H9_    69     1.08675   119.37526  -179.64668
   70    68 S   CA   _C6_    70     1.39446   120.04445     0.26980
   71    70 S   CA   _C10    71     1.38984   117.01509    -0.27976
   72    71 S   HA   _H11    72     1.08600   121.12333  -179.55765
   73    70 S   CT   _C5_    74     1.50115   121.47119  -178.64217
   74    73 S   HC   _H7_    75     1.09683   109.66207  -148.52053
   75    73 S   HC   _H8_    76     1.09683   109.67426   -32.41785
   76    65 S   NB   _N4_    73     1.35484   117.01243  -102.23247
   77    73 S   CT   _C4_    77     1.52098   111.89572    89.51000
   78    77 S   HC   _H4_    78     1.09532   111.26795   -60.12383
   79    77 S   HC   _H5_    79     1.09459   110.22070  -179.97202
   80    77 S   HC   _H6_    80     1.09532   111.27866    60.18343
  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   7   5   4   3
   9   5   2   1   1   7   4   8   4   8   5   4   9   4   3   9
   8   4   7   3   9   5   3   8   1   1   8   5   4   8   4   3
   8   7   4   9   3  10   6   2   7   5   4   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    42    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    44  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    48    49    57  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    50    51    54    57    58  
   47    48    49    57  
   48    49    57  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    56    59    60    61    62  
   55    57    58    56    59  
   57    58    56  
   59    60    61    62    63    64    65    57  
   58  
    0  
   60    61    62    63    64    65    66    76  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    71    76  
   64    65    66    76  
   65    66    76  
   66    67    68    69    70    71    72    76  
   67    68    69    70    71    76    73  
   68    69    70    76  
   69    70    71    72    76    73    74    75    77  
   70    71    73  
   71    72    76    73    74    75    77    78    79    80  
   72    76    73    74    75    77  
   76    73  
   74    75    77    78    79    80    76  
   75    77    78    79    80  
   77    78    79    80  
    0  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   39   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.140000   2.4950   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.043000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   337.000  1.449
   33    44   222.000  1.810
   38    39   434.000  1.010
   38    40   490.000  1.335
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   222.000  1.810
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   469.000  1.400
   65    76   483.000  1.339
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   317.000  1.510
   71    72   367.000  1.080
   71    76   483.000  1.339
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    85.00000  114.68000
   29    33    38    80.00000  108.62000
   29    33    44    75.00000  118.28000
   33    38    39    38.00000  118.40000
   33    38    40    50.00000  121.90000
   33    44    42    62.00000   98.90000
   38    33    34    95.00000  111.00000
   38    40    41    80.00000  122.90000
   38    40    42    70.00000  116.60000
   40    38    39    35.00000  119.80000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.33000
   40    42    45    63.00000  111.10000
   42    40    41    80.00000  120.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    70.00000  112.17500
   44    33    34    85.00000  114.68000
   44    33    38    80.00000  108.62000
   44    42    43    35.00000  109.50000
   45    42    43    37.50000  110.70000
   45    42    44    75.00000  111.63000
   45    48    49    70.00000  120.00000
   45    48    57    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    70.00000  112.17500
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    70.00000  120.00000
   62    65    76    75.00000  115.74700
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    76    71    70.00000  117.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    76    70.00000  124.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    77    70.00000  112.17500
   76    65    66    70.00000  124.00000
   76    71    72    35.00000  116.00000
   73    70    71    70.00000  120.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    44   0.08500  1.0 1.0
   24    29    33    44  -0.53150 -1.0 2.0
   24    29    33    44   0.48050  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   0.00000  1.0 1.0
   29    33    38    40  -0.42300  1.0 1.0
   29    33    38    40  -0.07000 -1.0 2.0
   29    33    38    40   0.04150  1.0 3.0
   29    33    44    42   0.08500  1.0 1.0
   29    33    44    42  -0.53150 -1.0 2.0
   29    33    44    42   0.48050  1.0 3.0
   33    38    40    41   3.04450 -1.0 2.0
   33    38   -40    42   1.49850  1.0 1.0
   33    38   -40    42   1.53950 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40  -2.75650  1.0 1.0
   34    33    38    40  -1.18150 -1.0 2.0
   34    33    38    40   0.81900  1.0 3.0
   34    33    44    42   0.13850  1.0 1.0
   34    33    44    42  -1.34450 -1.0 2.0
   34    33    44    42   0.57400  1.0 3.0
   38    33   -44    42   0.01700  1.0 1.0
   38    33   -44    42  -0.23550 -1.0 2.0
   38    33   -44    42   0.21350  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.00000  1.0 1.0
   38    40    42    45   1.39750  1.0 1.0
   38    40    42    45  -0.07950 -1.0 2.0
   38    40    42    45  -0.18750  1.0 3.0
   39    38    40    41   2.45000 -1.0 2.0
   39    38    40    42   2.45000 -1.0 2.0
   40    42   -44    33   0.01700  1.0 1.0
   40    42   -44    33  -0.23550 -1.0 2.0
   40    42   -44    33   0.21350  1.0 3.0
   40    42    45    46  -0.11250  1.0 3.0
   40    42    45    47  -0.11250  1.0 3.0
   40    42    45    48   0.56750  1.0 1.0
   40    42    45    48  -0.07550 -1.0 2.0
   40    42    45    48   0.20000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.30150 -1.0 2.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    48    49   0.04150 -1.0 2.0
   42    45    48    57   0.04150 -1.0 2.0
   43    42    44    33   0.32350  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.43200  1.0 3.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40  -0.42300  1.0 1.0
   44    33   -38    40  -0.07000 -1.0 2.0
   44    33   -38    40   0.04150  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.56750  1.0 1.0
   44    42    45    48  -0.07550 -1.0 2.0
   44    42    45    48   0.20000  1.0 3.0
   45    42    44    33   0.01700  1.0 1.0
   45    42    44    33  -0.23550 -1.0 2.0
   45    42    44    33   0.21350  1.0 3.0
   45    48    49    50   3.62500 -1.0 2.0
   45    48    49    51   3.62500 -1.0 2.0
   45    48    57    54   3.62500 -1.0 2.0
   45    48    57    58   3.62500 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    57   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    57   0.00000  1.0 1.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   1.63200 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    61   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    63   0.23400  1.0 3.0
   56    59    62    64   0.23400  1.0 3.0
   56    59    62    65  -0.64350  1.0 1.0
   56    59    62    65  -0.04200 -1.0 2.0
   56    59    62    65   0.19800  1.0 3.0
   59    62    65    66   0.04150 -1.0 2.0
   59    62    65    76   0.29300  1.0 1.0
   59    62    65    76  -1.19700 -1.0 2.0
   59    62    65    76   0.60900  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.43200  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.43200  1.0 3.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    68   3.62500 -1.0 2.0
   62    65    76    71   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    76   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    76   0.00000  1.0 1.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    76    71   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    73   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    76   3.62500 -1.0 2.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    75   0.00000  1.0 1.0
   68    70    73    77   0.04150 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    71   -76    65   3.62500 -1.0 2.0
   70    73    77    78   0.43200  1.0 3.0
   70    73    77    79   0.43200  1.0 3.0
   70    73    77    80   0.43200  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    77   0.04150 -1.0 2.0
   72    71    76    65   3.62500 -1.0 2.0
   76    65    66    67   3.62500 -1.0 2.0
   76    65   -66    68   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    76   3.62500 -1.0 2.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    40    38    33   1.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   49    57    48    45   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   66    76    65    62   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   76    72    71    70   1.10000 -1.0 2.0
END
