* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    140    217     412
    1     0 S   NP   _N1_     1    27.78440    96.29885   -20.80580
    2     1 S   H    _HN1     2     1.02797    89.13358  -109.70303
    3     1 S   H    _H1_     3     1.02916    80.44815    -1.17303
    4     1 S   H    _H2_     4     1.02882    40.03737   130.91826
    5     1 S   CT   _CA1     5     1.50149   149.82905   114.32186
    6     5 S   HC   _HA1     6     1.09648   105.08100    72.10830
    7     5 S   CO3  _C1_     7     1.54087   111.30072   -46.35641
    8     7 S   O2Z  _O11     8     1.26219   115.69765   -80.32641
    9     7 S   O2Z  _O12     9     1.26339   114.46231    98.18501
   10     5 S   CT   _CB1    10     1.53135   107.26148  -171.37331
   11    10 S   HC   HB11    11     1.09822   109.58983   -52.28008
   12    10 S   HC   HB12    12     1.09699   110.44205    64.23666
   13    10 S   CT   _CG1    13     1.52919   112.20479  -173.19052
   14    13 S   HC   HG11    14     1.09539   110.44053   -59.57818
   15    13 S   HC   HG12    15     1.09647   109.93263    59.43561
   16    13 S   C    _CD1    16     1.51781   112.55116  -179.86152
   17    16 S   O    _OE1    17     1.22706   123.37375    -1.88201
   18    16 S   N    _N2_    18     1.38551   111.47712   177.73903
   19    18 S   H    _HN2    19     1.01553   118.84900     6.45409
   20    18 S   CT1  _CA2    20     1.45898   123.21226   179.46845
   21    20 S   HC   _HA2    21     1.09717   109.09470    18.82037
   22    20 S   C    _C2_    22     1.52830   107.05390   -98.40333
   23    22 S   O    _O2_    23     1.22970   122.98859   -26.47600
   24    20 S   CT   _CB2    32     1.53204   111.72532   141.82371
   25    24 S   HC   HB21    33     1.09610   110.01827    54.31249
   26    24 S   HC   HB22    34     1.09507   110.78979   173.52764
   27    22 S   N    _N3_    24     1.38462   112.55509   156.38822
   28    27 S   H    _HN3    25     1.01652   120.39584    -2.48632
   29    24 S   S    _SG2    35     1.82447   110.84763   -66.30183
   30    27 S   CT   _CA3    26     1.45369   122.51274   178.52263
   31    30 S   HC   HA31    27     1.09570   107.86307   -54.93670
   32    30 S   HC   HA32    28     1.09566   107.57310    61.41937
   33    29 S   CT   _C14    36     1.82309    99.04738   168.01046
   34    33 S   HC   _H17    37     1.09473   108.42628    66.47688
   35    33 S   HC   _H18    38     1.09335   109.12969   -50.76252
   36    30 S   CO3  _C3_    29     1.52906   114.27442  -176.84471
   37    36 S   O2Z  _O31    30     1.26339   116.02911     0.87088
   38    36 S   O2Z  _O32    31     1.26428   114.42834  -179.18315
   39    33 S   CT   _C13    39     1.53043   111.20576  -173.44186
   40    39 S   HC   _H15    40     1.09401   109.69282   -60.64622
   41    39 S   HC   _H16    41     1.09536   111.39506   179.17956
   42    39 S   NP   _N4_    42     1.52357   111.34069    59.29409
   43    42 S   H    _H4_    43     1.03101   104.88160   -36.97467
   44    42 S   CT   _C15    44     1.52719   112.70766    77.48521
   45    44 S   HC   _H19    45     1.09517   107.45016    82.76368
   46    44 S   HC   _H20    46     1.09495   107.97190   -32.10917
   47    42 S   CT   _C5_    58     1.53853   115.19928  -151.12130
   48    47 S   HC   _H3_    59     1.09506   105.85556  -167.98993
   49    44 S   CA   _C16    47     1.50604   113.99717  -152.50504
   50    47 S   CT   _C4_    60     1.52432   111.73619   -48.91901
   51    50 S   HC   _H5_    61     1.09440   112.23793    67.40022
   52    50 S   HC   _H6_    62     1.09561   109.95402  -173.50901
   53    50 S   HC   _H7_    63     1.09391   111.75631   -54.38928
   54    47 S   CT   _C6_    64     1.53585   109.22902    76.25730
   55    54 S   HC   _H8_    65     1.09683   109.12744   177.73169
   56    54 S   HC   _H9_    66     1.09564   110.71912   -62.00087
   57    49 S   CA   _C17    48     1.40123   120.73546  -108.91650
   58    57 S   HA   _H21    49     1.08724   120.53160    -0.46309
   59    54 S   OS   _O33    67     1.43026   107.75495    59.32178
   60    57 S   CA   _C18    50     1.39589   120.42601   179.13182
   61    60 S   HA   _H22    51     1.08635   119.99038  -179.67797
   62    59 S   CA   _C7_    68     1.36831   117.09212  -172.17439
   63    60 S   CA   _C19    52     1.39335   120.09171     0.20367
   64    63 S   HA   _H23    53     1.08649   120.15079  -179.77272
   65    62 S   CA   _C8_    69     1.39687   125.75584    -8.77400
   66    65 S   HA   _H10    70     1.08528   121.98592    -0.60133
   67    63 S   CA   _C20    54     1.39305   119.94023     0.14671
   68    67 S   HA   _H24    55     1.08606   119.81121   179.77794
   69    65 S   CA   _C9_    71     1.39750   120.07019   179.66839
   70    69 S   HA   _H11    72     1.08656   119.85446  -179.90309
   71    49 S   CA   _C21    56     1.40242   120.26004    70.55891
   72    71 S   HA   _H25    57     1.08698   120.54106     0.74782
   73    69 S   CA   _C10    73     1.39348   120.29216     0.15323
   74    73 S   HA   _H12    74     1.08607   120.08683  -179.89347
   75    73 S   CA   _C11    75     1.39240   119.83483     0.24549
   76    75 S   HA   _H13    76     1.08585   119.99178   179.93147
   77    62 S   CA   _C12    77     1.39894   114.89273   171.52838
   78    77 S   HA   _H14    78     1.08743   120.20885     0.20077
  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   4   2   1   1  12   5   4  17   8  13   5   4  11   8
   9   7   3   2   1   6   3   2   8   4   7   6   3   9   5   3
   8   4   3   2   6   3   1   1   5   3   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    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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    47  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    47    48    50    54  
   41    42    43    44    47  
   42    43    44    47  
   43    44    45    46    49    57    71    47    48    50    51    52    53    54    55    56    59  
   44    45    46    49    47    48    50    54  
   45    46    49    57    58    60    67    71    72    47    48    50    54  
   46    49    57    71    47  
   49    57    71    47  
   48    50    51    52    53    54    55    56    59    62    49  
   50    51    52    53    54    55    56    59  
   57    58    60    61    63    67    68    71    72  
   51    52    53    54    55    56    59  
   52    53    54  
   53    54  
   54  
   55    56    59    62    65    77  
   56    59    62  
   59    62  
   58    60    61    63    64    67    71    72  
   60    61    63    71  
   62    65    66    69    75    77    78  
   61    63    64    67    68    71  
   63    64    67  
   65    66    69    70    73    75    76    77    78  
   64    67    68    71    72  
   67    68    71  
   66    69    70    73    74    75    77    78  
   69    70    73    77  
   68    71    72  
   71    72  
   70    73    74    75    76    77  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   1.6450   1.4500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   43   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   367.000  1.471
   42    43   434.000  1.010
   42    44   367.000  1.471
   42    47   367.000  1.471
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   317.000  1.510
   49    57   469.000  1.400
   49    71   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    54   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   320.000  1.410
   59    62   450.000  1.364
   62    65   469.000  1.400
   62    77   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    80.00000  111.20000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    35.00000  109.50000
   39    42    44    75.00000  113.01200
   39    42    47    75.00000  113.01200
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    49    75.00000  110.83300
   42    47    48    35.00000  109.50000
   42    47    50    80.00000  111.20000
   42    47    54    80.00000  111.20000
   44    42    43    35.00000  109.50000
   44    49    57    70.00000  120.00000
   44    49    71    70.00000  120.00000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   49    57    58    35.00000  120.00000
   49    57    60    63.00000  120.00000
   49    71    67    63.00000  120.00000
   49    71    72    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    67    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    71    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    71    72    35.00000  120.00000
   71    49    57    63.00000  120.00000
   71    67    68    35.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    44    75.00000  113.01200
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    59    50.00000  109.50000
   50    47    48    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    50    58.35000  112.70000
   54    59    62    75.00000  111.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    62    65    70.00000  120.00000
   59    62    77    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    78    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   77    62    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.17350  1.0 3.0
   33    39    42    44   0.47100  1.0 1.0
   33    39    42    47   0.47100  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.19200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.19200  1.0 3.0
   39    42    44    45   0.15000  1.0 3.0
   39    42    44    46   0.15000  1.0 3.0
   39    42    44    49   0.03550  1.0 1.0
   39    42    44    49   0.09800 -1.0 2.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    50   0.47100  1.0 1.0
   39    42    47    54   0.47100  1.0 1.0
   40    39    42    43   0.13050  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   41    39    42    43   0.13050  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    47   0.15000  1.0 3.0
   42    44    49    57  -0.46400 -1.0 2.0
   42    44    49    71  -0.46400 -1.0 2.0
   42    47    50    51   0.19200  1.0 3.0
   42    47    50    52   0.19200  1.0 3.0
   42    47    50    53   0.19200  1.0 3.0
   42    47    54    55   0.19200  1.0 3.0
   42    47    54    56   0.19200  1.0 3.0
   42    47    54    59   1.69300  1.0 1.0
   42    47    54    59  -0.48450 -1.0 2.0
   43    42    44    45   0.13050  1.0 3.0
   43    42    44    46   0.13050  1.0 3.0
   43    42    44    49   0.17350  1.0 3.0
   43    42    47    48   0.13050  1.0 3.0
   43    42    47    50   0.17350  1.0 3.0
   43    42    47    54   0.17350  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    50   0.47100  1.0 1.0
   44    42    47    54   0.47100  1.0 1.0
   44    49    57    58   3.62500 -1.0 2.0
   44    49    57    60   3.62500 -1.0 2.0
   44    49    71    67   3.62500 -1.0 2.0
   44    49    71    72   3.62500 -1.0 2.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    49    71   0.00000  1.0 1.0
   46    44    49    57   0.00000  1.0 1.0
   46    44    49    71   0.00000  1.0 1.0
   49    57    60    61   3.62500 -1.0 2.0
   49    57    60    63   3.62500 -1.0 2.0
   57    49    71    67   3.62500 -1.0 2.0
   57    49    71    72   3.62500 -1.0 2.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60   -63    67   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    63   3.62500 -1.0 2.0
   60    63    67    68   3.62500 -1.0 2.0
   60    63    67    71   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    67   3.62500 -1.0 2.0
   63    67   -71    49   3.62500 -1.0 2.0
   63    67    71    72   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    71   3.62500 -1.0 2.0
   68    67    71    49   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    49    57    58   3.62500 -1.0 2.0
   71    49   -57    60   3.62500 -1.0 2.0
   47    42    44    45   0.15000  1.0 3.0
   47    42    44    46   0.15000  1.0 3.0
   47    42    44    49   0.03550  1.0 1.0
   47    42    44    49   0.09800 -1.0 2.0
   47    54    59    62  -0.32850  1.0 1.0
   47    54    59    62  -0.35800 -1.0 2.0
   47    54    59    62   0.33950  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    59   0.23400  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    59   0.62750  1.0 1.0
   50    47    54    59  -0.30950 -1.0 2.0
   50    47    54    59   0.27300  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   54    59    62    65   1.63200 -1.0 2.0
   54    59    62    77   1.63200 -1.0 2.0
   55    54    59    62   0.08050  1.0 3.0
   56    54    59    62   0.08050  1.0 3.0
   59    62    65    66   3.62500 -1.0 2.0
   59    62    65    69   3.62500 -1.0 2.0
   59    62    77    75   3.62500 -1.0 2.0
   59    62    77    78   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    73   3.62500 -1.0 2.0
   65    62    77    75   3.62500 -1.0 2.0
   65    62    77    78   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69   -73    75   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75   -77    62   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    62    65    66   3.62500 -1.0 2.0
   77    62   -65    69   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   57    71    49    44   4.00000 -1.0 2.0
   60    58    57    49   1.10000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   67    64    63    60   1.10000 -1.0 2.0
   71    68    67    63   1.10000 -1.0 2.0
   67    72    71    49   1.10000 -1.0 2.0
   65    77    62    59   4.00000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    62   1.10000 -1.0 2.0
END
