* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    245     457
    1     0 S   NP   _N1_     1    28.69718    95.02325   -21.00113
    2     1 S   H    _HN1     2     1.02779    90.96382   -91.26926
    3     1 S   H    _H1_     3     1.02959    85.26741    17.04641
    4     1 S   H    _H2_     4     1.02834    34.17823   147.23646
    5     1 S   CT   _CA1     5     1.50118   144.54882   136.14318
    6     5 S   HC   _HA1     6     1.09576   105.22157    65.77171
    7     5 S   CO3  _C1_     7     1.53782   112.42690   -54.42004
    8     7 S   O2Z  _O11     8     1.26358   115.00251   -43.06396
    9     7 S   O2Z  _O12     9     1.26242   114.92329   136.12319
   10     5 S   CT   _CB1    10     1.53096   107.42583  -176.32198
   11    10 S   HC   HB11    11     1.09825   109.30294   -50.82864
   12    10 S   HC   HB12    12     1.09818   110.42285    65.71607
   13    10 S   CT   _CG1    13     1.53009   112.68836  -171.93518
   14    13 S   HC   HG11    14     1.09596   110.45236   -64.48665
   15    13 S   HC   HG12    15     1.09657   109.95993    54.73328
   16    13 S   C    _CD1    16     1.51823   112.34356   175.07180
   17    16 S   O    _OE1    17     1.22719   123.26193    -1.15250
   18    16 S   N    _N2_    18     1.38630   111.61693   179.10891
   19    18 S   H    _HN2    19     1.01574   119.01643     1.38126
   20    18 S   CT1  _CA2    20     1.46223   123.44658   179.51302
   21    20 S   HC   _HA2    21     1.09732   109.42829    -3.82264
   22    20 S   C    _C2_    22     1.53497   108.28040  -119.39946
   23    22 S   O    _O2_    23     1.23014   122.26408  -144.64371
   24    20 S   CT   _CB2    32     1.53354   111.53949   118.19206
   25    24 S   HC   HB21    33     1.09605   109.97592    56.23702
   26    24 S   HC   HB22    34     1.09484   110.04873   175.20981
   27    22 S   N    _N3_    24     1.38523   113.44351    42.61616
   28    27 S   H    _HN3    25     1.01499   118.95171    -0.55426
   29    24 S   S    _SG2    35     1.82980   111.65171   -64.68800
   30    27 S   CT   _CA3    26     1.45459   123.54125   175.23511
   31    30 S   HC   HA31    27     1.09513   109.38890    21.60738
   32    30 S   HC   HA32    28     1.09500   107.08619   138.63406
   33    29 S   CT   _C10    36     1.84167    99.39107   172.26955
   34    33 S   HC   _H3_    37     1.09582   105.30600   -48.46268
   35    30 S   CO3  _C3_    29     1.52913   113.00322  -101.97437
   36    35 S   O2Z  _O31    30     1.26410   115.35772   -45.35637
   37    35 S   O2Z  _O32    31     1.26347   115.01177   135.55855
   38    33 S   CA   _C7_    38     1.52045   109.96599  -164.58851
   39    33 S   CM   _C11    49     1.51235   109.83889    69.58080
   40    39 S   HC   _H10    50     1.09166   115.77073    43.64810
   41    38 S   CA   _C6_    39     1.40545   119.29079    98.62927
   42    41 S   HA   _H7_    40     1.08756   120.23720    -0.33977
   43    39 S   CMA  _C12    51     1.35693   127.16745  -132.81893
   44    43 S   OM   _O33    52     1.26395   127.31246   175.93586
   45    41 S   CA   _C5_    41     1.39586   120.90802   179.63631
   46    45 S   HA   _H6_    42     1.08624   119.95126  -179.81869
   47    43 S   NE   _N4_    53     1.41552   121.48845    -5.36034
   48    45 S   CA   _C4_    43     1.39218   120.00224     0.50590
   49    48 S   HA   _H5_    44     1.08608   120.08806   179.80416
   50    47 S   CM   _C17    54     1.39741   121.48927   -62.49112
   51    50 S   HC   _H17    55     1.08399   112.09575    -4.04632
   52    48 S   CA   _C9_    45     1.39304   119.87487     0.32686
   53    52 S   HA   _H9_    46     1.08641   119.96751   179.44047
   54    50 S   CM   _C16    56     1.34526   126.17640   177.31489
   55    38 S   CA   _C8_    47     1.40404   122.37997   -80.42313
   56    55 S   HA   _H8_    48     1.08713   120.70498     0.30964
   57    54 S   CT   _C15    57     1.51389   118.73358    -1.03703
   58    57 S   HC   _H15    58     1.09695   108.54738   103.60239
   59    57 S   HC   _H16    59     1.09509   110.67648  -139.11716
   60    54 S   CT   _C18    66     1.51595   124.57472   176.99404
   61    60 S   HC   _H4_    67     1.09764   108.02610  -132.58065
   62    57 S   CT   _C14    60     1.53250   112.57781   -18.03081
   63    62 S   HC   _H13    61     1.09572   109.83118   168.32008
   64    62 S   HC   _H14    62     1.09825   109.08610   -74.73796
   65    60 S   CT   _C19    68     1.53696   112.07648   106.07927
   66    65 S   HC   _H18    69     1.09600   110.60195    58.45552
   67    65 S   HC   _H19    70     1.09700   110.02836   -58.92179
   68    47 S   CT   _C13    63     1.48078   120.56493   124.28642
   69    68 S   HC   _H11    64     1.09733   109.59922    89.53819
   70    68 S   HC   _H12    65     1.09718   110.66013   -29.39911
   71    65 S   CT   _C20    71     1.52891   112.12077   179.55194
   72    71 S   HC   _H20    72     1.09704   109.28092   -67.38486
   73    71 S   HC   _H21    73     1.09583   109.66850   175.70627
   74    71 S   CT   _C21    74     1.52502   111.75098    53.83004
   75    74 S   HC   _H22    75     1.09716   109.35422    67.63427
   76    74 S   HC   _H23    76     1.09562   109.71210  -175.41926
   77    74 S   CT   _C22    77     1.51871   111.40759   -53.74509
   78    77 S   HC   _H24    78     1.09390   111.50521   173.10081
   79    77 S   HC   _H25    79     1.09481   112.32874   -63.77990
   80    60 S   NP   _N5_    80     1.51189   114.25871   -16.49133
   81    80 S   H    _H26    81     1.02981   109.61720    61.22997
   82    80 S   H    _H27    82     1.02949   108.90898   -54.11899
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   9   3   6   3  11   5
   3  13   4   3   2  17   1   1  12   6   5  15   8   5   4   3
  12   6   5   2   1   1   9   5   4   8   5   4   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    52    53    55    56    39    40    43  
   40    43    44    47    50    68    41    55  
   43    44    47  
   42    45    46    48    49    52    55    56  
   45    46    48    55  
   44    47    50    51    54    62    68    69    70  
   47    50    68  
   46    48    49    52    53    55  
   48    49    52  
   50    51    54    57    62    63    64    68    69    70    60  
   49    52    53    55    56  
   52    53    55  
   51    54    57    58    59    62    68    69    70    60    61    65    80  
   54    57    68    60  
   53    55    56  
   55    56  
   57    58    59    62    63    64    68    60    61    65    66    67    71    77    80    81    82  
   56  
    0  
   58    59    62    63    64    68    69    70    60    61    65    80  
   59    62    63    64    68    60  
   62    63    64    68    60  
   61    65    66    67    71    72    73    74    77    78    79    80    81    82    62  
   65    66    67    71    77    80    81    82  
   63    64    68    69    70  
   64    68    69    70  
   68    69    70  
   66    67    71    72    73    74    75    76    77    80    81    82  
   67    71    72    73    74    80  
   71    72    73    74    80  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.775800   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.310000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    50   425.000  1.378
   47    68   382.000  1.448
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    60   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    80   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   367.000  1.471
   80    81   434.000  1.010
   80    82   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  120.00000
   55    38    41    63.00000  120.00000
   55    52    53    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    50    75.00000  118.45600
   43    47    68    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    50.00000  112.30800
   47    50    54    70.00000  124.03900
   47    68    62    80.00000  111.61500
   47    68    69    35.00000  109.50000
   47    68    70    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    60    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.02700
   54    60    61    35.00000  109.50000
   54    60    65    70.00000  112.02700
   54    60    80    75.00000  110.06800
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    47    50    50.00000  121.00000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   70    68    69    33.00000  107.80000
   60    54    57    65.00000  117.92700
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    71    58.35000  112.70000
   60    80    77    75.00000  113.01200
   60    80    81    35.00000  109.50000
   60    80    82    35.00000  109.50000
   65    60    61    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    60    61    35.00000  109.50000
   80    60    65    80.00000  111.20000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   82    80    81    35.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   53    52    55    38   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   39    43    47    50  -0.54500  1.0 1.0
   39    43    47    50   1.14150 -1.0 2.0
   39    43    47    68  -0.54700  1.0 1.0
   39    43    47    68   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    54  -0.54500  1.0 1.0
   43    47    50    54   1.14150 -1.0 2.0
   43    47    68    62   0.25450  1.0 1.0
   43    47    68    62  -0.61700 -1.0 2.0
   43    47    68    62  -0.23550  1.0 3.0
   43    47    68    69   0.00000  1.0 1.0
   43    47    68    70   0.00000  1.0 1.0
   44    43    47    50   1.00000 -1.0 2.0
   44    43    47    68   1.00000 -1.0 2.0
   47    50    54    57   7.00000 -1.0 2.0
   47    50    54    60   7.00000 -1.0 2.0
   50    47    68    62   0.25450  1.0 1.0
   50    47    68    62  -0.61700 -1.0 2.0
   50    47    68    62  -0.23550  1.0 3.0
   50    47    68    69   0.00000  1.0 1.0
   50    47    68    70   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.09850  1.0 1.0
   50    54   -57    62   0.15250 -1.0 2.0
   50    54   -57    62  -0.50650  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    65   0.09850  1.0 1.0
   50    54    60    65   0.15250 -1.0 2.0
   50    54    60    65  -0.50650  1.0 3.0
   50    54    60    80   0.80850  1.0 1.0
   50    54    60    80  -0.47300 -1.0 2.0
   50    54    60    80  -0.52300  1.0 3.0
   51    50    54    57   7.00000 -1.0 2.0
   51    50    54    60   7.00000 -1.0 2.0
   54    57    62    63   0.15000  1.0 3.0
   54    57    62    64   0.15000  1.0 3.0
   54    57    62    68   0.34400  1.0 1.0
   54    57    62    68   0.09450 -1.0 2.0
   54    57    62    68   0.11100  1.0 3.0
   54    60    65    66   0.15000  1.0 3.0
   54    60    65    67   0.15000  1.0 3.0
   54    60    65    71   0.34400  1.0 1.0
   54    60    65    71   0.09450 -1.0 2.0
   54    60    65    71   0.11100  1.0 3.0
   54    60    80    77   0.08000 -1.0 2.0
   54    60    80    81   0.17350  1.0 3.0
   54    60    80    82   0.17350  1.0 3.0
   57    54    60    61   0.34800  1.0 3.0
   57    54    60    65   0.46850  1.0 1.0
   57    54    60    65   0.08550 -1.0 2.0
   57    54    60    65   0.09800  1.0 3.0
   57    54    60    80   0.52100  1.0 1.0
   57    54    60    80  -0.20350 -1.0 2.0
   57    54    60    80   0.29750  1.0 3.0
   57    62   -68    47   1.26750  1.0 1.0
   57    62   -68    47  -0.00950 -1.0 2.0
   57    62   -68    47   0.30600  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.15000  1.0 3.0
   63    62    68    47   0.22950  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   64    62    68    47   0.22950  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   68    47    50    51   0.00000  1.0 1.0
   68    47   -50    54  -0.54700  1.0 1.0
   68    47   -50    54   1.23000 -1.0 2.0
   60    54    57    58   0.34800  1.0 3.0
   60    54    57    59   0.34800  1.0 3.0
   60    54    57    62   0.46850  1.0 1.0
   60    54    57    62   0.08550 -1.0 2.0
   60    54    57    62   0.09800  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    74   0.56750  1.0 1.0
   60    65    71    74  -0.07550 -1.0 2.0
   60    65    71    74   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   61    60    80    77   0.15000  1.0 3.0
   61    60    80    81   0.13050  1.0 3.0
   61    60    80    82   0.13050  1.0 3.0
   65    60    80    77   0.47100  1.0 1.0
   65    60    80    81   0.17350  1.0 3.0
   65    60    80    82   0.17350  1.0 3.0
   65    71    74    75   0.15000  1.0 3.0
   65    71    74    76   0.15000  1.0 3.0
   65    71   -74    77   0.56750  1.0 1.0
   65    71   -74    77  -0.07550 -1.0 2.0
   65    71   -74    77   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.36600  1.0 1.0
   71    74    77    80  -0.11450 -1.0 2.0
   71    74    77    80   0.24250  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77   -80    60   0.47100  1.0 1.0
   74    77    80    81   0.17350  1.0 3.0
   74    77    80    82   0.17350  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.19200  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.19200  1.0 3.0
   78    77    80    60   0.15000  1.0 3.0
   78    77    80    81   0.13050  1.0 3.0
   78    77    80    82   0.13050  1.0 3.0
   79    77    80    60   0.15000  1.0 3.0
   79    77    80    81   0.13050  1.0 3.0
   79    77    80    82   0.13050  1.0 3.0
   80    60    65    66   0.19200  1.0 3.0
   80    60    65    67   0.19200  1.0 3.0
   80    60   -65    71   1.36600  1.0 1.0
   80    60   -65    71  -0.11450 -1.0 2.0
   80    60   -65    71   0.24250  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
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   68    43    47    50   1.00000 -1.0 2.0
   47    51    50    54   1.10000 -1.0 2.0
   57    60    54    50   1.10000 -1.0 2.0
END
