* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    229     415
    1     0 S   NP   _N1_     1    28.65190    95.75810   -21.64402
    2     1 S   H    _HN1     2     1.02783    94.46018   -87.52339
    3     1 S   H    _H1_     3     1.02949    79.86236    20.33678
    4     1 S   H    _H2_     4     1.02832    36.60663   158.20946
    5     1 S   CT   _CA1     5     1.50127   145.15569   131.66653
    6     5 S   HC   _HA1     6     1.09573   105.19274    75.86768
    7     5 S   CO3  _C1_     7     1.53761   112.30315   -44.32267
    8     7 S   O2Z  _O11     8     1.26364   115.01562   -44.96974
    9     7 S   O2Z  _O12     9     1.26221   114.95341   133.98898
   10     5 S   CT   _CB1    10     1.53073   107.39953  -166.21715
   11    10 S   HC   HB11    11     1.09829   109.36244   -49.61916
   12    10 S   HC   HB12    12     1.09815   110.46734    66.98918
   13    10 S   CT   _CG1    13     1.52984   112.62051  -170.60976
   14    13 S   HC   HG11    14     1.09513   110.50328   -64.97153
   15    13 S   HC   HG12    15     1.09661   109.89173    54.21883
   16    13 S   C    _CD1    16     1.51823   112.22341   174.60134
   17    16 S   O    _OE1    17     1.22735   123.26206     3.55573
   18    16 S   N    _N2_    18     1.38624   111.71173  -176.46260
   19    18 S   H    _HN2    19     1.01600   118.94638     1.13815
   20    18 S   CT1  _CA2    20     1.46318   123.37583   178.26618
   21    20 S   HC   _HA2    21     1.09734   109.40833    -4.77762
   22    20 S   C    _C2_    22     1.53416   108.49885  -120.28655
   23    22 S   O    _O2_    23     1.23038   122.32471  -148.33858
   24    20 S   CT   _CB2    32     1.53290   111.33569   117.32641
   25    24 S   HC   HB21    33     1.09405   109.54930    56.49712
   26    24 S   HC   HB22    34     1.09506   110.81644   174.88121
   27    22 S   N    _N3_    24     1.38349   113.54882    39.16846
   28    27 S   H    _HN3    25     1.01625   119.51226    -3.56958
   29    24 S   S    _SG2    35     1.82810   111.09215   -65.98843
   30    27 S   CT   _CA3    26     1.45283   123.16382   177.01017
   31    30 S   HC   HA31    27     1.09551   107.53826   -63.77916
   32    30 S   HC   HA32    28     1.09558   107.94073    52.63676
   33    29 S   CT   _C23    36     1.83649   100.30530   149.96144
   34    33 S   HC   _H3_    37     1.09593   107.38958    43.69589
   35    30 S   CO3  _C3_    29     1.52944   114.11391   174.62641
   36    35 S   O2Z  _O31    30     1.26371   116.05988    -0.22381
   37    35 S   O2Z  _O32    31     1.26429   114.41308   179.82641
   38    33 S   CO4  _C21    38     1.51418   107.49337   -72.78061
   39    38 S   O    _O26    39     1.22715   122.43699   102.28545
   40    38 S   CA   _C10    40     1.48109   117.09909   -75.48531
   41    40 S   CA   _C8_    41     1.39906   119.31324   -24.24450
   42    41 S   CA   _C5_    42     1.40201   119.82547   177.27372
   43    42 S   HA   _H31    43     1.08825   120.46212  -179.66312
   44    41 S   CO4  _C20    54     1.48670   121.22165    -4.98492
   45    44 S   O    _O25    55     1.22905   119.18620  -169.76663
   46    42 S   CA   _C12    44     1.40107   120.60921     0.46520
   47    33 S   CT   _C22    56     1.54114   115.85403   165.60708
   48    47 S   HC   _H35    57     1.10071   105.81874  -179.64173
   49    46 S   CA   _C6_    45     1.39820   119.21950    -0.21214
   50    49 S   HA   _H32    46     1.08793   120.09041  -179.35381
   51    46 S   CT   _C24    50     1.49952   119.99250  -178.69599
   52    51 S   HC   _H37    51     1.09442   110.02692    71.96827
   53    51 S   HC   _H38    52     1.09501   111.44397  -167.82147
   54    51 S   HC   _H39    53     1.09498   110.38257   -48.51894
   55    47 S   CA   _C11    58     1.53570   113.63460   -63.31153
   56    40 S   CA   _C14    47     1.40024   121.10912   153.77229
   57    55 S   CA   _C13    59     1.41780   119.92815   -89.23954
   58    56 S   OH   _O27    48     1.36874   123.23942     1.66236
   59    58 S   HO   _H43    49     0.97351   109.00009     6.70829
   60    57 S   CA   _C4_    60     1.40544   119.82419   179.65057
   61    60 S   HA   _H30    61     1.08888   119.08290   179.24541
   62    57 S   CT   _C25    75     1.50751   122.67920    -1.69847
   63    62 S   HC   _H40    76     1.09453   110.18936   -67.99191
   64    62 S   HC   _H41    77     1.09366   110.92981    53.86528
   65    62 S   HC   _H42    78     1.09557   111.62339   172.68809
   66    60 S   CA   _C7_    62     1.39753   121.19556    -0.81421
   67    66 S   CA   _C9_    63     1.39425   120.09607     0.11191
   68    55 S   CA   _C15    64     1.41737   122.09354    89.19423
   69    67 S   CO4  _C19    67     1.48395   119.13856  -179.74056
   70    69 S   O    _O24    68     1.22540   121.93353   179.81655
   71    68 S   OH   _O28    65     1.37326   117.47607     0.53632
   72    71 S   HO   _H44    66     0.97291   109.89317   179.50822
   73    69 S   CM   _C17    69     1.47599   118.32926    -0.18345
   74    73 S   HC   _H34    70     1.08460   117.20008  -179.91153
   75    73 S   CM   _C16    71     1.33236   121.95961     0.08393
   76    75 S   HC   _H33    72     1.08431   121.05855   180.00000
   77    66 S   CO4  _C18    73     1.47798   118.63178  -179.80218
   78    77 S   O    _O23    74     1.22492   121.91565    -0.11869
  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
  13   7   2   1   1  11   4  12  12  12   4   8   3   8   8   3
   8   3   4   2   1   1  13   2  11   1   1  12   4   5   2   1
   1  10  10   6   7   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    44    45    47    48    55    57    68  
   38    39    40    44    47    48    55  
   36    37  
   37  
    0  
   39    40    41    42    49    56    58    44    47    48    55  
   40    41    56    47  
   41    42    43    46    49    50    56    58    59    44    45    47  
   42    43    46    49    56    58    51    44    45    47    48    55  
   43    46    49    50    56    51    52    53    54    44    45    47  
   46    49    51    44  
   45    47    48    55    57    68    46    56  
   47    48    55  
   49    50    56    58    51    52    53    54  
   48    55    57    60    67    68    71    62  
   55    57    68  
   50    56    58    59    51    52    53    54  
   56    58    51  
   52    53    54    56  
   53    54  
   54  
    0  
   57    60    61    66    67    68    71    72    69    62    63    64    65  
   58    59  
   60    61    66    67    68    71    77    62    63    64    65  
   59  
    0  
   61    66    67    68    69    75    77    78    62    63    64    65  
   66    67    77    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    68    71    69    70    73    75    76    77    78  
   68    71    72    69    70    73    74    75    77    78  
   71    72    69    70    73    77  
   70    73    74    75    76    77    71  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   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   3.5500   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    51   317.000  1.510
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    55   317.000  1.510
   55    57   469.000  1.400
   55    68   469.000  1.400
   57    60   469.000  1.400
   57    62   317.000  1.510
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    77   310.000  1.470
   67    68   469.000  1.400
   67    69   310.000  1.470
   68    71   450.000  1.364
   71    72   553.000  0.945
   69    70   570.000  1.229
   69    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.462
   77    78   570.000  1.229
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    55    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    56    49    63.00000  120.00000
   40    56    58    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    47    65.00000  115.47100
   42    46    49    63.00000  120.00000
   42    46    51    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   49    56    58    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    58    59    35.00000  113.00000
   51    46    49    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    60.00000  119.52600
   44    47    48    35.00000  109.50000
   44    47    55    70.00000  110.93000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   47    55    57    70.00000  120.00000
   47    55    68    70.00000  120.00000
   55    47    48    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    68    67    63.00000  120.00000
   55    68    71    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    66    67    63.00000  120.00000
   60    66    77    60.00000  119.52600
   66    60    61    35.00000  120.00000
   66    67    68    63.00000  120.00000
   66    67    69    60.00000  119.52600
   66    77    75    65.00000  117.02400
   66    77    78    75.00000  123.78400
   67    68    71    70.00000  120.00000
   67    69    70    75.00000  123.78400
   67    69    73    65.00000  117.02400
   68    55    57    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    67    68    60.00000  119.52600
   69    73    74    40.00000  117.72500
   69    73    75    65.00000  118.96000
   73    69    70    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    65.00000  118.96000
   75    73    74    35.00000  120.00000
   75    77    78    80.00000  123.72100
   77    66    67    60.00000  119.52600
   77    75    76    40.00000  117.72500
   62    57    60    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    55   0.56750  1.0 1.0
   29    33    47    55  -0.07550 -1.0 2.0
   29    33    47    55   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   33    47    55    57   0.04150 -1.0 2.0
   33    47    55    68   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    55   0.43200  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    55   0.56750  1.0 1.0
   38    33    47    55  -0.07550 -1.0 2.0
   38    33    47    55   0.20000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    56    49   3.62500 -1.0 2.0
   38    40    56    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    47   2.26350  1.0 1.0
   40    41    44    47   0.76750 -1.0 2.0
   40    41    44    47   0.22500  1.0 3.0
   40    56    58    59   0.84100 -1.0 2.0
   41    40    56    49   3.62500 -1.0 2.0
   41    40    56    58   3.62500 -1.0 2.0
   41    42   -46    49   3.62500 -1.0 2.0
   41    42    46    51   3.62500 -1.0 2.0
   41    44   -47    33   0.05850 -1.0 2.0
   41    44   -47    33   0.17250  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    55   0.65300  1.0 1.0
   41    44    47    55  -0.03850 -1.0 2.0
   41    44    47    55   0.33900  1.0 3.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    47   2.26350  1.0 1.0
   42    41    44    47   0.76750 -1.0 2.0
   42    41    44    47   0.22500  1.0 3.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.00000  1.0 1.0
   42    46    51    54   0.00000  1.0 1.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    49   -56    40   3.62500 -1.0 2.0
   46    49    56    58   3.62500 -1.0 2.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    53   0.00000  1.0 1.0
   49    46    51    54   0.00000  1.0 1.0
   49    56    58    59   0.84100 -1.0 2.0
   50    49    56    40   3.62500 -1.0 2.0
   50    49    56    58   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    44   3.62500 -1.0 2.0
   51    46    49    50   3.62500 -1.0 2.0
   51    46    49    56   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    47    55    57   0.04300 -1.0 2.0
   44    47    55    68   0.04300 -1.0 2.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    55   0.30150 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
   47    55    57    60   3.62500 -1.0 2.0
   47    55    57    62   3.62500 -1.0 2.0
   47    55    68    67   3.62500 -1.0 2.0
   47    55    68    71   3.62500 -1.0 2.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    68   0.00000  1.0 1.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    66   3.62500 -1.0 2.0
   55    57    62    63   0.00000  1.0 1.0
   55    57    62    64   0.00000  1.0 1.0
   55    57    62    65   0.00000  1.0 1.0
   55    68    71    72   0.84100 -1.0 2.0
   57    55    68    67   3.62500 -1.0 2.0
   57    55    68    71   3.62500 -1.0 2.0
   57    60   -66    67   3.62500 -1.0 2.0
   57    60    66    77   3.62500 -1.0 2.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    69   3.62500 -1.0 2.0
   60    66    77    75  -0.11500  1.0 1.0
   60    66    77    75   1.10450 -1.0 2.0
   60    66    77    75  -0.48050  1.0 3.0
   60    66    77    78   1.05000 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    77   3.62500 -1.0 2.0
   66    67   -68    55   3.62500 -1.0 2.0
   66    67    68    71   3.62500 -1.0 2.0
   66    67    69    70   1.05000 -1.0 2.0
   66    67    69    73  -0.11500  1.0 1.0
   66    67    69    73   1.10450 -1.0 2.0
   66    67    69    73  -0.48050  1.0 3.0
   67    66    77    75  -0.11500  1.0 1.0
   67    66    77    75   1.10450 -1.0 2.0
   67    66    77    75  -0.48050  1.0 3.0
   67    66    77    78   1.05000 -1.0 2.0
   67    68    71    72   0.84100 -1.0 2.0
   67    69    73    74   1.64500 -1.0 2.0
   67    69   -73    75  -1.65800  1.0 1.0
   67    69   -73    75   0.77650 -1.0 2.0
   68    55   -57    60   3.62500 -1.0 2.0
   68    55    57    62   3.62500 -1.0 2.0
   68    67    69    70   1.05000 -1.0 2.0
   68    67    69    73  -0.11500  1.0 1.0
   68    67    69    73   1.10450 -1.0 2.0
   68    67    69    73  -0.48050  1.0 3.0
   69    67    68    55   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    77   7.00000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   1.00000 -1.0 2.0
   73    75   -77    66  -1.65800  1.0 1.0
   73    75   -77    66   0.77650 -1.0 2.0
   73    75    77    78   1.00000 -1.0 2.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    66   1.64500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   77    66    67    68   3.62500 -1.0 2.0
   77    66   -67    69   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    66   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    56    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   49    51    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   49    58    56    40   4.00000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
   57    68    55    47   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   67    77    66    60   4.00000 -1.0 2.0
   68    69    67    66   4.00000 -1.0 2.0
   67    71    68    55   4.00000 -1.0 2.0
   67    73    69    70  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   66    75    77    78  10.50000 -1.0 2.0
END
