* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.75695    97.31468   -23.52068
    2     1 S   H    _HN1     2     1.02791   108.73551   -95.95038
    3     1 S   H    _H1_     3     1.02948    65.78840     6.31832
    4     1 S   H    _H2_     4     1.02827    43.30513   167.55035
    5     1 S   CT   _CA1     5     1.50133   137.44250   100.63921
    6     5 S   HC   _HA1     6     1.09574   105.15221   101.69977
    7     5 S   CO3  _C1_     7     1.53772   112.45802   -18.46953
    8     7 S   O2Z  _O11     8     1.26377   115.00178   -42.21830
    9     7 S   O2Z  _O12     9     1.26237   114.94733   136.74926
   10     5 S   CT   _CB1    10     1.53058   107.39135  -140.35353
   11    10 S   HC   HB11    11     1.09840   109.31327   -49.39638
   12    10 S   HC   HB12    12     1.09810   110.48067    67.19862
   13    10 S   CT   _CG1    13     1.53009   112.64425  -170.33954
   14    13 S   HC   HG11    14     1.09572   110.70341   -67.44741
   15    13 S   HC   HG12    15     1.09672   109.71677    51.79675
   16    13 S   C    _CD1    16     1.51818   112.03894   172.24400
   17    16 S   O    _OE1    17     1.22752   123.20345    11.25603
   18    16 S   N    _N2_    18     1.38634   111.78797  -168.69284
   19    18 S   H    _HN2    19     1.01575   119.02613     0.96022
   20    18 S   CT1  _CA2    20     1.46241   123.43659   176.88511
   21    20 S   HC   _HA2    21     1.09741   109.24783     7.89118
   22    20 S   C    _C2_    22     1.53698   109.08541  -107.64025
   23    22 S   O    _O2_    23     1.23092   122.20981  -150.66445
   24    20 S   CT   _CB2    32     1.53423   111.49839   129.84815
   25    24 S   HC   HB21    33     1.09514   109.63802    56.57728
   26    24 S   HC   HB22    34     1.09453   109.80183   175.48299
   27    22 S   N    _N3_    24     1.38302   113.94716    36.90947
   28    27 S   H    _HN3    25     1.01535   119.60443    -3.34416
   29    24 S   S    _SG2    35     1.83392   111.04715   -65.02697
   30    27 S   CT   _CA3    26     1.45272   123.28100   177.17125
   31    30 S   HC   HA31    27     1.09548   107.52822   -64.55580
   32    30 S   HC   HA32    28     1.09556   107.98137    51.90034
   33    29 S   CT   _C18    36     1.85546   101.86515   171.83603
   34    33 S   OM   _O38    37     1.31837   110.20776   -64.83153
   35    30 S   CO3  _C3_    29     1.52971   114.04477   173.90632
   36    35 S   O2Z  _O31    30     1.26384   116.08998     0.14127
   37    35 S   O2Z  _O32    31     1.26427   114.41139  -179.80923
   38    33 S   CO4  _C17    38     1.54609   107.71336    53.74946
   39    38 S   O    _O33    39     1.23486   123.06401  -103.69773
   40    33 S   CT   _C19    71     1.56114   111.09312   174.65185
   41    40 S   HC   _H4_    72     1.10356   108.98434   172.13823
   42    38 S   CT   _C16    40     1.53553   116.75771    72.81630
   43    42 S   HC   _H3_    41     1.09858   106.15665   -65.06097
   44    40 S   C    _C23    73     1.54163   113.89002    54.67388
   45    44 S   O    _O37    74     1.22857   124.14916   -95.11884
   46    42 S   CT   _C15    42     1.53053   113.21894   179.17932
   47    46 S   HC   _H11    43     1.09769   109.40571   163.75569
   48    46 S   HC   _H12    44     1.09654   107.68008    47.35619
   49    44 S   N    _N4_    75     1.37710   113.62088    85.00850
   50    49 S   H    _H14    76     1.01473   121.83240    -5.37217
   51    49 S   H    _H15    77     1.01331   120.53635  -179.82641
   52    46 S   CA   _C14    45     1.51527   114.39336   -75.25756
   53    52 S   CA   _C13    46     1.40387   120.66424   -21.43144
   54    53 S   CA   _C12    47     1.41002   119.60371   177.62611
   55    53 S   CO4  _C22    66     1.49924   119.71594    -2.90697
   56    55 S   O    _O35    67     1.22986   120.21277  -179.68910
   57    54 S   CA   _C11    48     1.42384   122.39826    -0.05935
   58    54 S   OH   _O39    64     1.37689   120.64396  -179.68410
   59    58 S   HO   _H16    65     0.97203   110.05199     0.28393
   60    42 S   CT   _C21    68     1.51412   110.77696    54.05470
   61    57 S   CA   _C6_    49     1.41970   117.81529     1.66941
   62    60 S   CO4  _C20    69     1.52781   109.53448   -53.68959
   63    62 S   O    _O34    70     1.23183   120.67883  -128.78998
   64    60 S   OH   _O36    78     1.42609   108.79242  -171.49432
   65    64 S   HO   _H13    79     0.97405   107.66497   171.96451
   66    61 S   CA   _C7_    50     1.41866   118.03305  -178.99829
   67    66 S   HA   _H8_    51     1.08777   121.04339   178.29820
   68    52 S   CA   _C5_    59     1.42122   120.02949   160.07545
   69    66 S   CA   _C8_    52     1.39347   122.73266    -0.93607
   70    69 S   HA   _H9_    53     1.08599   120.09187  -179.95577
   71    68 S   CT   _C4_    60     1.51803   119.76035     3.13457
   72    71 S   HC   _H5_    61     1.09422   110.01772   -98.54250
   73    71 S   HC   _H6_    62     1.09317   112.79246    23.13054
   74    71 S   HC   _H7_    63     1.09477   111.13287   139.68652
   75    69 S   CA   _C9_    54     1.38077   119.57982     0.17804
   76    75 S   HA   _H10    55     1.08598   119.45636  -179.94766
   77    57 S   CA   _C10    56     1.42821   124.43035  -178.41823
   78    77 S   OH   _O40    57     1.37461   120.14560    -0.25869
   79    78 S   HO   _H17    58     0.97165   109.39693   179.87489
  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   9   5   4   3
  14   7   2   1   1  14   5  12   6  14   8   7   4  12   5   4
   3   1   1  14  13  12   9   3  13   3   1   4  12   3   1   1
   1   8   4   6   5   3   3   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    62    63    40    41    44    45    49  
   38    39    42    62    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    62    40    41    44    64  
   42    43    46    60    40  
   41    44    45    49    50    51    64    42    55    60    62    63  
   44    45    49    60    62    63  
   43    46    47    48    52    53    68    55    56    60    62    63    64    65  
   46    47    48    52    55    60    62    64  
   45    49    50    51    60    62    63  
   49    50    51    62  
   47    48    52    53    54    61    68    71    55    60    62    64  
   48    52    53    68    60  
   52    53    68    60  
   50    51    62  
   51  
    0  
   53    54    57    61    66    68    71    72    73    74    58    55    56    60  
   54    57    61    77    68    71    58    59    55    56    60    62    64  
   57    61    66    75    77    78    68    58    59    55    56    60  
   56    60    62    63    64    65    57    58    68  
   60    62    64  
   61    66    67    69    75    76    77    78    79    68    71    58    59  
   59    61    77  
    0  
   62    63    64    65  
   66    67    69    70    75    77    78    68    71    72    73    74  
   63    64    65  
   64  
   65  
    0  
   67    69    70    75    76    77    68    71  
   69    70    75    68  
   71    72    73    74    69    77  
   70    75    76    77    78  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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  -0.012500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    68   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    61   469.000  1.400
   57    77   469.000  1.400
   61    66   469.000  1.400
   61    68   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   68    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    62   317.000  1.522
   60    64   320.000  1.410
   62    63   570.000  1.229
   62    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
   64    65   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    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    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    62    63.00000  111.10000
   42    60    64    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    68    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    68    61    63.00000  120.00000
   52    68    71    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    61    63.00000  120.00000
   54    57    77    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    61    66    63.00000  120.00000
   57    61    68    63.00000  120.00000
   57    77    75    63.00000  120.00000
   57    77    78    70.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    69    63.00000  120.00000
   61    68    71    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    75    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    57    61    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   68    52    53    63.00000  120.00000
   68    61    66    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    62    75.00000  107.99600
   55    60    64    90.00000  109.61100
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    62    63    80.00000  120.40000
   60    62    40    70.00000  116.00000
   60    64    65    55.00000  108.50000
   62    40    41    35.00000  109.50000
   62    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    62    63    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
   64    60    62    90.00000  109.61100
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    62  -0.09450  1.0 1.0
   34    33    40    62  -1.12950 -1.0 2.0
   34    33    40    62   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    62   0.11950  1.0 1.0
   38    33    40    62   0.20300 -1.0 2.0
   38    33    40    62  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42   -60    62   0.11950  1.0 1.0
   38    42   -60    62   0.20300 -1.0 2.0
   38    42   -60    62  -0.70800  1.0 3.0
   38    42    60    64  -0.09450  1.0 1.0
   38    42    60    64  -1.12950 -1.0 2.0
   38    42    60    64   0.54000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    68   0.04150 -1.0 2.0
   42    60    62    63   0.30150 -1.0 2.0
   42    60    62    40   0.60050  1.0 1.0
   42    60    62    40   0.05600 -1.0 2.0
   42    60    62    40   0.26150  1.0 3.0
   42    60    64    65  -0.11600  1.0 1.0
   42    60    64    65  -0.09450 -1.0 2.0
   42    60    64    65   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    62  -0.11250  1.0 3.0
   43    42    60    64   0.23400  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    62  -0.95700  1.0 1.0
   46    42    60    62  -0.18200 -1.0 2.0
   46    42    60    62   0.29450  1.0 3.0
   46    42    60    64   0.86500  1.0 1.0
   46    42    60    64  -0.17500 -1.0 2.0
   46    42    60    64   0.20800  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    68    61   3.62500 -1.0 2.0
   46    52    68    71   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    68   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    68   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    68    71    72   0.00000  1.0 1.0
   52    68    71    73   0.00000  1.0 1.0
   52    68    71    74   0.00000  1.0 1.0
   53    52    68    61   3.62500 -1.0 2.0
   53    52    68    71   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    54    57    77   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    62   0.65300  1.0 1.0
   53    55    60    62  -0.03850 -1.0 2.0
   53    55    60    62   0.33900  1.0 3.0
   53    55    60    64   0.65300  1.0 1.0
   53    55    60    64  -0.03850 -1.0 2.0
   53    55    60    64   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    61    66   3.62500 -1.0 2.0
   54    57    61    68   3.62500 -1.0 2.0
   54    57    77    75   3.62500 -1.0 2.0
   54    57    77    78   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    61    66    67   3.62500 -1.0 2.0
   57    61    66    69   3.62500 -1.0 2.0
   57    61   -68    52   3.62500 -1.0 2.0
   57    61    68    71   3.62500 -1.0 2.0
   57    77    78    79   0.84100 -1.0 2.0
   61    57    77    75   3.62500 -1.0 2.0
   61    57    77    78   3.62500 -1.0 2.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66   -69    75   3.62500 -1.0 2.0
   61    68    71    72   0.00000  1.0 1.0
   61    68    71    73   0.00000  1.0 1.0
   61    68    71    74   0.00000  1.0 1.0
   66    61    68    52   3.62500 -1.0 2.0
   66    61    68    71   3.62500 -1.0 2.0
   66    69    75    76   3.62500 -1.0 2.0
   66    69    75    77   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    75   3.62500 -1.0 2.0
   69    75   -77    57   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    57   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    57   -61    66   3.62500 -1.0 2.0
   77    57    61    68   3.62500 -1.0 2.0
   68    52   -53    54   3.62500 -1.0 2.0
   68    52    53    55   3.62500 -1.0 2.0
   68    61    66    67   3.62500 -1.0 2.0
   68    61    66    69   3.62500 -1.0 2.0
   58    54    57    61   3.62500 -1.0 2.0
   58    54    57    77   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    62    63   0.30150 -1.0 2.0
   55    60    62    40   0.65300  1.0 1.0
   55    60    62    40  -0.03850 -1.0 2.0
   55    60    62    40   0.33900  1.0 3.0
   55    60    64    65   0.91850  1.0 1.0
   55    60    64    65   0.57950  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    62   0.30150 -1.0 2.0
   56    55    60    64   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    62   -40    33   0.60050  1.0 1.0
   60    62   -40    33   0.05600 -1.0 2.0
   60    62   -40    33   0.26150  1.0 3.0
   60    62    40    41   0.00000  1.0 1.0
   60    62    40    44   0.65300  1.0 1.0
   60    62    40    44  -0.03850 -1.0 2.0
   60    62    40    44   0.33900  1.0 3.0
   62    60    64    65   0.91850  1.0 1.0
   62    60    64    65   0.57950  1.0 3.0
   62    40    44    45   0.30150 -1.0 2.0
   62    40    44    49   0.00000  1.0 1.0
   63    62    40    33   0.30150 -1.0 2.0
   63    62    40    41   0.00000  1.0 1.0
   63    62    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
   64    60    62    63   0.30150 -1.0 2.0
   64    60    62    40   0.55300  1.0 1.0
   64    60    62    40   1.25850 -1.0 2.0
   64    60    62    40  -0.23600  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
   33    42    38    39  10.50000 -1.0 2.0
   53    68    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   61    77    57    54   4.00000 -1.0 2.0
   66    68    61    57   4.00000 -1.0 2.0
   69    67    66    61   1.10000 -1.0 2.0
   75    70    69    66   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    57   4.00000 -1.0 2.0
   61    71    68    52   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    62    63  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
