* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    217     406
    1     0 S   NP   _N1_     1    28.66072    94.51747   -20.10887
    2     1 S   H    _HN1     2     1.02953    90.72400    23.03753
    3     1 S   H    _H1_     3     1.02835    34.03459   143.49600
    4     1 S   H    _H2_     4     1.02780    85.77340   -85.27678
    5     1 S   CT   _CA1     5     1.50063   144.57835   151.40365
    6     5 S   HC   _HA1     6     1.09570   105.29273    54.57453
    7     5 S   CO3  _C1_     7     1.53715   112.29313   -65.80022
    8     7 S   O2Z  _O11     8     1.26339   115.02029   -47.14572
    9     7 S   O2Z  _O12     9     1.26189   114.88133   132.08867
   10     5 S   CT   _CB1    10     1.53047   107.46777   172.56521
   11    10 S   HC   HB11    11     1.09826   109.43749   -50.62293
   12    10 S   HC   HB12    12     1.09824   110.41132    65.95439
   13    10 S   CT   _CG1    13     1.52995   112.59860  -171.67454
   14    13 S   HC   HG11    14     1.09616   110.50776   -62.20015
   15    13 S   HC   HG12    15     1.09644   110.01278    57.09140
   16    13 S   C    _CD1    16     1.51764   112.14600   177.54130
   17    16 S   O    _OE1    17     1.22731   123.28239    -0.99780
   18    16 S   N    _N2_    18     1.38597   111.65746   178.71702
   19    18 S   H    _HN2    19     1.01608   119.02533     2.35202
   20    18 S   CT1  _CA2    20     1.46275   123.31477  -178.45035
   21    20 S   HC   _HA2    21     1.09729   109.39949    -9.41693
   22    20 S   C    _C2_    22     1.53335   108.56813  -125.14543
   23    22 S   O    _O2_    23     1.23029   122.33974  -148.26335
   24    20 S   CT   _CB2    32     1.53369   111.14299   112.52670
   25    24 S   HC   HB21    33     1.09398   109.38030    57.15749
   26    24 S   HC   HB22    34     1.09505   110.80379   175.58967
   27    22 S   N    _N3_    24     1.38356   113.48331    39.25669
   28    27 S   H    _HN3    25     1.01644   119.50307    -3.62731
   29    24 S   S    _SG2    35     1.82872   111.22613   -64.96723
   30    27 S   CT   _CA3    26     1.45289   123.10377   176.94123
   31    30 S   HC   HA31    27     1.09552   107.54157   -63.50724
   32    30 S   HC   HA32    28     1.09559   107.92414    52.89038
   33    29 S   CT   _C20    36     1.83435   100.24123   154.02940
   34    33 S   HC   _H3_    37     1.09485   107.84521    46.03926
   35    30 S   CO3  _C3_    29     1.52930   114.15493   174.88155
   36    35 S   O2Z  _O31    30     1.26363   116.06122    -0.18975
   37    35 S   O2Z  _O32    31     1.26430   114.41151   179.86438
   38    33 S   CO4  _C18    38     1.51112   109.09659   -72.25942
   39    38 S   O    _O23    39     1.22822   121.27839   100.57291
   40    38 S   CA   _C6_    40     1.49330   118.24472   -78.31673
   41    40 S   CA   _C7_    41     1.40540   119.62528   -15.01682
   42    41 S   CA   _C15    42     1.40436   119.21015   177.81367
   43    41 S   CO4  _C17    70     1.49178   120.00622    -3.09731
   44    43 S   O    _O22    71     1.22741   120.40214   170.73908
   45    42 S   CA   _C12    43     1.40210   120.83785     0.90266
   46    42 S   OH   _O26    68     1.37267   122.60483  -179.75772
   47    46 S   HO   _H44    69     0.97351   109.38306     3.71847
   48    33 S   CT   _C19    72     1.52612   113.07146   167.08172
   49    48 S   HC   _H32    73     1.09967   110.42258   179.86294
   50    45 S   CA   _C9_    44     1.39226   120.10814     0.19683
   51    45 S   OS   _O24    58     1.37256   116.37849   179.38071
   52    48 S   OS   _O28    74     1.42422   112.31192   -58.19960
   53    40 S   CA   _C14    45     1.41037   120.63597   163.87822
   54    50 S   CO4  _C16    48     1.48201   117.68879   178.04605
   55    54 S   O    _O21    49     1.22232   121.07757  -168.78021
   56    52 S   CT   _C23    75     1.42088   113.49340   -82.53423
   57    56 S   HC   _H40    76     1.09341   108.18544  -178.82530
   58    56 S   HC   _H41    77     1.09316   111.06118    62.40023
   59    56 S   HC   _H42    78     1.09418   110.54890   -60.25192
   60    53 S   OH   _O25    46     1.37088   121.38608     0.10835
   61    60 S   HO   _H43    47     0.97264   110.00634     5.35152
   62    54 S   CA   _C8_    50     1.48118   117.59431     9.48519
   63    62 S   CA   _C10    51     1.40870   123.28683   170.92182
   64    63 S   CA   _C4_    52     1.40702   118.58610   178.94186
   65    64 S   HA   _H30    53     1.08908   119.62025  -179.79442
   66    63 S   CT   _C21    64     1.50341   123.48443    -1.23907
   67    66 S   HC   _H34    65     1.09456   110.58841   -55.82791
   68    66 S   HC   _H35    66     1.09436   110.42163    66.35736
   69    66 S   HC   _H36    67     1.09565   111.58715  -174.49028
   70    64 S   CA   _C13    54     1.39803   121.64995     0.45757
   71    70 S   CA   _C5_    55     1.39189   119.04013    -0.02798
   72    71 S   HA   _H31    56     1.08604   121.53745   179.73312
   73    70 S   OS   _O27    59     1.36919   115.00054   179.90309
   74    62 S   CA   _C11    57     1.39606   116.99295    -9.27182
   75    73 S   CT   _C22    60     1.42273   116.79755  -179.35139
   76    75 S   HC   _H37    61     1.09428   107.75154   179.71676
   77    75 S   HC   _H38    62     1.09504   111.14281    61.95642
   78    75 S   HC   _H39    63     1.09501   111.12650   -62.53358
  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
  12   7   2   1   1  11   4  12  13  11   8   3  11   3   1   6
   2   9   8   4   5   8   3   3   2   1   1   1   1  11  10  11
   4   5   2   1   1   8   4   2   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    48    49    52    56  
   38    39    40    43    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    53    60    43    48    49    52  
   40    41    53    48  
   41    42    45    50    53    60    61    54    46    43    44    48  
   42    45    50    53    60    51    46    47    43    44    48    49    52  
   45    50    53    54    74    51    46    47    43    44    48  
   44    48    49    52    56    45    46    53  
   48    49    52  
   50    53    60    54    55    62    71    74    51    46    47  
   47    50    51  
    0  
   49    52    56    57    58    59  
   52    56  
   53    60    61    54    55    62    63    74    51  
   53    54    62    63    70    71    72    74  
   56    57    58    59  
   60    61    54    55    62  
   55    62    63    64    71    74    66    60  
   62    63    74  
   57    58    59  
   58    59  
   59  
    0  
   61  
    0  
   63    64    65    70    71    72    74    66    67    68    69  
   64    65    70    71    74    73    66    67    68    69  
   65    70    71    72    74    73    75    66    67    68    69  
   70    71    73    66  
   67    68    69    70    74  
   68    69  
   69  
    0  
   71    72    74    73    75    76    77    78  
   72    74    73    75  
   74    73  
   75    76    77    78    74  
    0  
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    50   469.000  1.400
   45    51   450.000  1.364
   50    53   469.000  1.400
   50    54   310.000  1.470
   53    60   450.000  1.364
   60    61   553.000  0.945
   54    55   570.000  1.229
   54    62   310.000  1.470
   62    63   469.000  1.400
   62    74   469.000  1.400
   63    64   469.000  1.400
   63    66   317.000  1.510
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    51   450.000  1.364
   73    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   553.000  0.945
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    53    50    63.00000  120.00000
   40    53    60    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    48    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    51    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    50    53    63.00000  120.00000
   45    50    54    60.00000  119.52600
   45    51    74    85.00000  114.70000
   50    53    60    70.00000  120.00000
   50    54    55    75.00000  123.78400
   50    54    62    65.00000  116.00000
   53    40    41    63.00000  120.00000
   53    60    61    35.00000  113.00000
   54    50    53    60.00000  119.52600
   54    62    63    60.00000  119.52600
   54    62    74    60.00000  119.52600
   62    54    55    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    66    70.00000  120.00000
   62    74    71    63.00000  120.00000
   62    74    51    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    70    63.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    63.00000  120.00000
   64    70    73    70.00000  120.00000
   70    64    65    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    75    75.00000  111.00000
   71    74    51    70.00000  120.00000
   74    62    63    63.00000  120.00000
   74    71    72    35.00000  120.00000
   51    45    50    70.00000  120.00000
   73    70    71    70.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    63    64    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    48    49    35.00000  109.50000
   43    48    52    90.00000  108.74100
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    52    56    60.00000  109.50000
   52    48    49    35.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   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    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   33    48    52    56   0.06250  1.0 1.0
   33    48    52    56  -0.01100 -1.0 2.0
   33    48    52    56   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52  -0.09450  1.0 1.0
   38    33    48    52  -1.12950 -1.0 2.0
   38    33    48    52   0.54000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    53    50   3.62500 -1.0 2.0
   38    40    53    60   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    48   2.26350  1.0 1.0
   40    41    43    48   0.76750 -1.0 2.0
   40    41    43    48   0.22500  1.0 3.0
   40    53    60    61   0.84100 -1.0 2.0
   41    40    53    50   3.62500 -1.0 2.0
   41    40    53    60   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    51   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   0.05850 -1.0 2.0
   41    43   -48    33   0.17250  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    52   0.65300  1.0 1.0
   41    43    48    52  -0.03850 -1.0 2.0
   41    43    48    52   0.33900  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    48   2.26350  1.0 1.0
   42    41    43    48   0.76750 -1.0 2.0
   42    41    43    48   0.22500  1.0 3.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   42    45    51    74   0.47150 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    50   -53    40   3.62500 -1.0 2.0
   45    50    53    60   3.62500 -1.0 2.0
   45    50    54    55   1.05000 -1.0 2.0
   45    50    54    62   0.56600 -1.0 2.0
   50    45    51    74   0.47150 -1.0 2.0
   50    53    60    61   0.84100 -1.0 2.0
   50    54    62    63   0.56600 -1.0 2.0
   50    54   -62    74   0.56600 -1.0 2.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    43   3.62500 -1.0 2.0
   53    50    54    55   1.05000 -1.0 2.0
   53    50    54    62   0.56600 -1.0 2.0
   54    50    53    40   3.62500 -1.0 2.0
   54    50    53    60   3.62500 -1.0 2.0
   54    62    63    64   3.62500 -1.0 2.0
   54    62    63    66   3.62500 -1.0 2.0
   54    62    74    71   3.62500 -1.0 2.0
   54    62    74    51   3.62500 -1.0 2.0
   55    54    62    63   1.05000 -1.0 2.0
   55    54    62    74   1.05000 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    70   3.62500 -1.0 2.0
   62    63    66    67   0.00000  1.0 1.0
   62    63    66    68   0.00000  1.0 1.0
   62    63    66    69   0.00000  1.0 1.0
   62    74   -51    45   0.47150 -1.0 2.0
   63    62    74    71   3.62500 -1.0 2.0
   63    62    74    51   3.62500 -1.0 2.0
   63    64   -70    71   3.62500 -1.0 2.0
   63    64    70    73   3.62500 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   64    70    71    72   3.62500 -1.0 2.0
   64    70    71    74   3.62500 -1.0 2.0
   64    70    73    75   1.63200 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    73   3.62500 -1.0 2.0
   70    71   -74    62   3.62500 -1.0 2.0
   70    71    74    51   3.62500 -1.0 2.0
   70    73    75    76   0.08050  1.0 3.0
   70    73    75    77   0.08050  1.0 3.0
   70    73    75    78   0.08050  1.0 3.0
   71    70    73    75   1.63200 -1.0 2.0
   71    74    51    45   0.47150 -1.0 2.0
   72    71    74    62   3.62500 -1.0 2.0
   72    71    74    51   3.62500 -1.0 2.0
   74    62   -63    64   3.62500 -1.0 2.0
   74    62    63    66   3.62500 -1.0 2.0
   51    45    50    53   3.62500 -1.0 2.0
   51    45   -50    54   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    70   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    51   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    52    56  -1.11000  1.0 1.0
   43    48    52    56   0.50250 -1.0 2.0
   43    48    52    56   0.47450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    52   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
   48    52    56    57   0.37050  1.0 3.0
   48    52    56    58   0.37050  1.0 3.0
   48    52    56    59   0.37050  1.0 3.0
   49    48    52    56   0.37050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    51    45    42   4.00000 -1.0 2.0
   53    54    50    45   4.00000 -1.0 2.0
   50    60    53    40   4.00000 -1.0 2.0
   50    62    54    55  10.50000 -1.0 2.0
   63    74    62    54   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   70    65    64    63   1.10000 -1.0 2.0
   71    73    70    64   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    51    74    62   4.00000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
