* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    256     453
    1     0 S   NP   _N1_     1    31.70444   100.29894   -19.84978
    2     1 S   H    _HN1     2     1.03480   165.17952  -108.59187
    3     1 S   H    _H1_     3     1.02731    58.22323  -125.53502
    4     1 S   H    _H2_     4     1.02853    82.26533   118.25872
    5     1 S   CT   _CA1     5     1.50496    72.98964     4.43655
    6     5 S   HC   _HA1     6     1.09552   104.38208   135.64223
    7     5 S   CO3  _C1_     7     1.54441   112.07415    19.81383
    8     7 S   O2Z  _O11     8     1.26615   114.20812    38.06003
    9     7 S   O2Z  _O12     9     1.26118   116.52482  -141.73706
   10     5 S   CT   _CB1    10     1.53247   106.91650  -107.57665
   11    10 S   HC   HB11    11     1.09642   109.82568   -35.16734
   12    10 S   HC   HB12    12     1.09807   109.79179    80.28403
   13    10 S   CT   _CG1    13     1.53435   112.88534  -158.25832
   14    13 S   HC   HG11    14     1.09575   110.51298  -105.39936
   15    13 S   HC   HG12    15     1.09652   111.96736    13.89972
   16    13 S   C    _CD1    16     1.51533   110.47620   134.58893
   17    16 S   O    _OE1    17     1.22783   122.16380   103.13410
   18    16 S   N    _N2_    18     1.38330   112.35521   -75.23457
   19    18 S   H    _HN2    19     1.01762   118.90562    -1.98110
   20    18 S   CT1  _CA2    20     1.45935   123.45501   175.63004
   21    20 S   HC   _HA2    21     1.09667   108.48124    31.14528
   22    20 S   C    _C2_    22     1.53165   108.38855   -85.69442
   23    22 S   O    _O2_    23     1.23090   121.27616   149.73133
   24    20 S   CT   _CB2    32     1.53446   112.34016   154.41958
   25    24 S   HC   HB21    33     1.09165   110.45337    69.47629
   26    24 S   HC   HB22    34     1.09606   109.48971  -173.90201
   27    22 S   N    _N3_    24     1.38435   114.14836   -37.86963
   28    27 S   H    _HN3    25     1.01690   119.26201     1.95625
   29    24 S   S    _SG2    35     1.82844   111.32501   -54.87961
   30    27 S   CT   _CA3    26     1.45207   123.35017  -177.18742
   31    30 S   HC   HA31    27     1.09555   108.17441   -46.89399
   32    30 S   HC   HA32    28     1.09547   107.26964    69.48905
   33    29 S   CT   _C9_    36     1.84870   103.05784   134.66123
   34    33 S   OM   _O34    37     1.31655   111.23943    56.13669
   35    30 S   CO3  _C3_    29     1.53006   114.32289  -169.08799
   36    35 S   O2Z  _O31    30     1.26407   116.34230     2.27004
   37    35 S   O2Z  _O32    31     1.26444   114.39389  -177.97049
   38    33 S   CM   _C6_    38     1.52764   110.59434   -70.20267
   39    38 S   CMA  _C7_    39     1.35422   113.22370  -103.45109
   40    39 S   OM   _O35    40     1.25589   134.97488   177.81179
   41    38 S   CO4  _C5_    74     1.48208   126.64737    76.40528
   42    41 S   O    _O33    75     1.23045   120.90547  -106.70880
   43    39 S   NE   _N4_    41     1.39522   108.30359    -4.85200
   44    41 S   CT   _C4_    76     1.50453   117.75110    72.45228
   45    44 S   HC   _H6_    77     1.09381   108.99184   138.78154
   46    44 S   HC   _H7_    78     1.09342   111.08544    20.28652
   47    44 S   HC   _H8_    79     1.09267   109.56307  -101.10078
   48    33 S   CT   _C8_    42     1.57278   112.95701   179.13498
   49    48 S   HC   _H3_    43     1.10332   110.31656  -148.67634
   50    48 S   CT   _C10    44     1.53411   122.69839   -17.77622
   51    50 S   HC   _H4_    45     1.09479   112.77852    38.90674
   52    50 S   C5B  _C11    46     1.49015   114.73835   -86.79266
   53    50 S   CT   _C20    63     1.58415   100.78244   152.86899
   54    53 S   HC   _H5_    64     1.09947   108.50713  -159.33119
   55    52 S   C5A  _C12    47     1.37597   133.47214    85.18398
   56    55 S   HA   _H9_    48     1.08103   131.79262    -1.31418
   57    43 S   CT   _C21    65     1.47233   133.96152   153.01171
   58    55 S   NA   _N5_    49     1.38047   107.85788   178.48742
   59    58 S   H    _H10    50     1.01036   124.75326   179.91153
   60    57 S   CT   _C22    66     1.53194   112.39148    67.31079
   61    60 S   HC   _H16    67     1.09525   111.80318   -73.34752
   62    60 S   HC   _H17    68     1.09564   110.89638   167.76125
   63    60 S   HC   _H18    69     1.09490   112.12635    46.33111
   64    57 S   CT   _C23    70     1.54202   109.89483   -54.61679
   65    64 S   HC   _H19    71     1.09544   111.65536    67.99443
   66    64 S   HC   _H20    72     1.09498   112.21586   -51.88578
   67    64 S   HC   _H21    73     1.09580   110.75414  -172.50074
   68    58 S   CN   _C13    51     1.37770   110.28545    -0.23573
   69    68 S   CA   _C18    52     1.39568   132.99500  -179.86878
   70    69 S   HA   _H13    53     1.08393   121.96964     0.27906
   71    69 S   CA   _C17    54     1.40649   116.66020  -179.27611
   72    71 S   HA   _H12    55     1.08796   118.94220   179.44539
   73    71 S   CA   _C16    56     1.40333   121.98020    -0.03426
   74    73 S   HA   _H11    57     1.08685   119.43901   178.89695
   75    73 S   CA   _C15    58     1.39743   120.48549    -0.79844
   76    52 S   CR3  _C14    59     1.40846   120.01172   -96.47386
   77    75 S   CT   _C19    60     1.50493   125.44069   176.60419
   78    77 S   HC   _H14    61     1.09607   107.31471   -80.37874
   79    77 S   HC   _H15    62     1.09611   109.38489    36.53687
  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
  15   7   2   1   1  13  12   4   7   4  17   3   2   1   1  12
   5  16   7  13  17   7   7   4  12   7   3   8   3   2   1   4
   2   1   1   8   7   4   6   3   6   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    48    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    49    50    51    52    53    57    41    42    44  
   38    39    43    48    49    50    41  
   36    37  
   37  
    0  
   39    40    43    48    49    50    57    41    42    44    45    46    47  
   40    43    48    49    50    53    57    60    64    41    42    44  
   43    48    57    41  
   42    44    45    46    47    43    48  
   44    45    46    47  
   48    49    50    51    52    77    53    54    57    60    61    62    63    64    65    66    67  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    55    76    77    53    54    57    60    64  
   50    51    52    53    57  
   51    52    55    56    58    68    75    76    77    78    79    53    54    57    60    64  
   52    55    76    77    53    54    57  
   55    56    58    59    68    69    73    75    76    77    53    54    57  
   54    57    60    61    62    63    64    65    66    67    55    73    75    76    77    78    79  
   57    60    64    75    77    78    79  
   56    58    59    68    69    75    76  
   58    59    68    76  
   60    61    62    63    64    65    66    67    75    77    78    79  
   59    68    69    70    71    75    76  
   68    69    76  
   61    62    63    64    65    66    67    77  
   62    63    64  
   63    64  
   64  
   65    66    67    77  
   66    67  
   67  
    0  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.235300   1.9750   1.7500   0.005000000  -0.741685710
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   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   570.000  1.307
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   415.000  1.382
   43    48   382.000  1.448
   43    57   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   50    51   340.000  1.090
   50    52   295.000  1.494
   50    53   268.000  1.529
   52    55   520.000  1.370
   52    76   400.000  1.418
   55    56   367.000  1.080
   55    58   427.000  1.381
   58    59   434.000  1.010
   58    68   450.000  1.364
   68    69   485.000  1.374
   68    76   480.000  1.377
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   490.000  1.398
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   570.000  1.229
   41    44   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    48    43    80.00000  111.61500
   33    48    49    37.50000  110.70000
   33    48    50    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    75.00000  114.40000
   38    41    42    80.00000  123.72100
   38    41    44    65.00000  118.62400
   39    43    48    50.00000  121.00000
   39    43    57    50.00000  121.00000
   43    39    40   105.00000  113.92000
   43    48    49    35.00000  109.50000
   43    48    50    80.00000  111.61500
   43    57    53    80.00000  111.61500
   43    57    60    80.00000  111.61500
   43    57    64    80.00000  111.61500
   48    33    34    50.00000  109.50000
   48    33    38    70.00000  112.02700
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.62400
   48    50    53    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    55    55.00000  127.77900
   50    52    76    80.00000  105.07000
   50    53    77    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   52    50    51    45.00000  111.11700
   52    55    56    35.00000  130.70000
   52    55    58    70.00000  106.30000
   52    76    68    80.00000  108.23900
   52    76    75    50.00000  136.08700
   55    58    59    35.00000  120.00000
   55    58    68    85.00000  109.59900
   58    55    56    35.00000  121.60000
   58    68    69    65.00000  126.13900
   58    68    76    90.00000  107.25500
   68    58    59    35.00000  121.00000
   68    69    70    40.00000  120.02000
   68    69    71    65.00000  119.97700
   68    76    75    70.00000  117.96600
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  112.88000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    53    70.00000  112.17500
   76    52    55    80.00000  108.23900
   76    68    69    70.00000  112.88000
   77    75    76    80.00000  105.07000
   77    53    54    37.50000  110.70000
   77    53    57    58.35000  112.70000
   79    77    78    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.62400
   53    77    78    37.50000  110.70000
   53    77    79    37.50000  110.70000
   53    57    60    58.35000  112.70000
   53    57    64    58.35000  112.70000
   57    43    48    50.00000  115.00000
   57    53    54    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   44    41    42    80.00000  120.40000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  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    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   0.25700  1.0 1.0
   33    38    41    44   0.66200 -1.0 2.0
   33    38    41    44   0.04450  1.0 3.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52  -0.03700  1.0 1.0
   33    48    50    52   0.37200 -1.0 2.0
   33    48    50    52  -0.47300  1.0 3.0
   33    48    50    53   0.56750  1.0 1.0
   33    48    50    53  -0.07550 -1.0 2.0
   33    48    50    53   0.20000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    48    43   2.03850  1.0 1.0
   34    33    48    43  -0.40600 -1.0 2.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.62750  1.0 1.0
   34    33    48    50  -0.30950 -1.0 2.0
   34    33    48    50   0.27300  1.0 3.0
   38    33   -48    43   0.21700  1.0 1.0
   38    33   -48    43   0.68550 -1.0 2.0
   38    33   -48    43  -0.27950  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.34400  1.0 1.0
   38    33    48    50   0.09450 -1.0 2.0
   38    33    48    50   0.11100  1.0 3.0
   38    39   -43    48  -0.54700  1.0 1.0
   38    39   -43    48   1.23000 -1.0 2.0
   38    39    43    57  -0.54700  1.0 1.0
   38    39    43    57   1.23000 -1.0 2.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    47   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44  -0.33500  1.0 1.0
   39    38    41    44   1.06600 -1.0 2.0
   39    38    41    44  -0.14000  1.0 3.0
   39    43   -48    33   0.25450  1.0 1.0
   39    43   -48    33  -0.61700 -1.0 2.0
   39    43   -48    33  -0.23550  1.0 3.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.25450  1.0 1.0
   39    43    48    50  -0.61700 -1.0 2.0
   39    43    48    50  -0.23550  1.0 3.0
   39    43    57    53   0.25450  1.0 1.0
   39    43    57    53  -0.61700 -1.0 2.0
   39    43    57    53  -0.23550  1.0 3.0
   39    43    57    60   0.25450  1.0 1.0
   39    43    57    60  -0.61700 -1.0 2.0
   39    43    57    60  -0.23550  1.0 3.0
   39    43    57    64   0.25450  1.0 1.0
   39    43    57    64  -0.61700 -1.0 2.0
   39    43    57    64  -0.23550  1.0 3.0
   40    39    43    48   1.00000 -1.0 2.0
   40    39    43    57   1.00000 -1.0 2.0
   43    48    50    51   0.22950  1.0 3.0
   43    48    50    52   0.08550  1.0 1.0
   43    48    50    52   1.07500 -1.0 2.0
   43    48    50    52  -0.10950  1.0 3.0
   43    48   -50    53   1.26750  1.0 1.0
   43    48   -50    53  -0.00950 -1.0 2.0
   43    48   -50    53   0.30600  1.0 3.0
   43    57    60    61   0.22950  1.0 3.0
   43    57    60    62   0.22950  1.0 3.0
   43    57    60    63   0.22950  1.0 3.0
   43    57    64    65   0.22950  1.0 3.0
   43    57    64    66   0.22950  1.0 3.0
   43    57    64    67   0.22950  1.0 3.0
   48    33   -38    39   0.09850  1.0 1.0
   48    33   -38    39   0.15250 -1.0 2.0
   48    33   -38    39  -0.50650  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    43   -57    53   0.00000  1.0 1.0
   48    43    57    60   0.00000  1.0 1.0
   48    43    57    64   0.00000  1.0 1.0
   48    50    52    55   0.04150 -1.0 2.0
   48    50    52    76   0.04150 -1.0 2.0
   48    50    53    77   0.56750  1.0 1.0
   48    50    53    77  -0.07550 -1.0 2.0
   48    50    53    77   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50   -53    57   0.56750  1.0 1.0
   48    50   -53    57  -0.07550 -1.0 2.0
   48    50   -53    57   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    58   3.62500 -1.0 2.0
   50    52    76    68   3.62500 -1.0 2.0
   50    52    76    75   3.62500 -1.0 2.0
   50    53   -57    43   1.26750  1.0 1.0
   50    53   -57    43  -0.00950 -1.0 2.0
   50    53   -57    43   0.30600  1.0 3.0
   50    53    57    60   0.56750  1.0 1.0
   50    53    57    60  -0.07550 -1.0 2.0
   50    53    57    60   0.20000  1.0 3.0
   50    53    57    64   0.56750  1.0 1.0
   50    53    57    64  -0.07550 -1.0 2.0
   50    53    57    64   0.20000  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    76   0.00000  1.0 1.0
   51    50    53    77   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    77  -0.03700  1.0 1.0
   52    50    53    77   0.37200 -1.0 2.0
   52    50    53    77  -0.47300  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    57  -0.03700  1.0 1.0
   52    50    53    57   0.37200 -1.0 2.0
   52    50    53    57  -0.47300  1.0 3.0
   52    55    58    59   1.40000 -1.0 2.0
   52    55   -58    68   3.62500 -1.0 2.0
   55    52   -76    68   3.62500 -1.0 2.0
   55    52    76    75   3.62500 -1.0 2.0
   55    58    68    69   3.62500 -1.0 2.0
   55    58   -68    76   3.62500 -1.0 2.0
   56    55    58    59   2.00000 -1.0 2.0
   56    55    58    68   3.62500 -1.0 2.0
   58    68    69    70   3.62500 -1.0 2.0
   58    68    69    71   3.62500 -1.0 2.0
   58    68   -76    52   3.62500 -1.0 2.0
   58    68    76    75   3.62500 -1.0 2.0
   59    58    68    69   2.00000 -1.0 2.0
   59    58    68    76   2.00000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    76    52   3.62500 -1.0 2.0
   69    68    76    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    52   3.62500 -1.0 2.0
   73    75   -76    68   3.62500 -1.0 2.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   73    75    77    53   0.04150 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -53    50  -0.03700  1.0 1.0
   75    77   -53    50   0.37200 -1.0 2.0
   75    77   -53    50  -0.47300  1.0 3.0
   75    77    53    54   0.43200  1.0 3.0
   75    77    53    57  -0.03700  1.0 1.0
   75    77    53    57   0.37200 -1.0 2.0
   75    77    53    57  -0.47300  1.0 3.0
   76    52    55    56   3.62500 -1.0 2.0
   76    52   -55    58   3.62500 -1.0 2.0
   76    68    69    70   3.62500 -1.0 2.0
   76    68   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    53   0.04150 -1.0 2.0
   77    75   -76    52   3.62500 -1.0 2.0
   77    75    76    68   3.62500 -1.0 2.0
   77    53    57    43   1.26750  1.0 1.0
   77    53    57    43  -0.00950 -1.0 2.0
   77    53    57    43   0.30600  1.0 3.0
   77    53    57    60   0.56750  1.0 1.0
   77    53    57    60  -0.07550 -1.0 2.0
   77    53    57    60   0.20000  1.0 3.0
   77    53    57    64   0.56750  1.0 1.0
   77    53    57    64  -0.07550 -1.0 2.0
   77    53    57    64   0.20000  1.0 3.0
   78    77    53    50   0.15000  1.0 3.0
   78    77    53    54   0.15000  1.0 3.0
   78    77    53    57   0.15000  1.0 3.0
   79    77    53    50   0.15000  1.0 3.0
   79    77    53    54   0.15000  1.0 3.0
   79    77    53    57   0.15000  1.0 3.0
   53    50    52    55   0.04150 -1.0 2.0
   53    50   -52    76   0.04150 -1.0 2.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    62   0.15000  1.0 3.0
   53    57    60    63   0.15000  1.0 3.0
   53    57    64    65   0.15000  1.0 3.0
   53    57    64    66   0.15000  1.0 3.0
   53    57    64    67   0.15000  1.0 3.0
   54    53    57    43   0.22950  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    64   0.15000  1.0 3.0
   57    43    48    33   0.00000  1.0 1.0
   57    43    48    49   0.00000  1.0 1.0
   57    43   -48    50   0.00000  1.0 1.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    67   0.15000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   57    39    43    48   1.00000 -1.0 2.0
   55    76    52    50   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   59    55    58    68   1.00000 -1.0 2.0
   69    76    68    58   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   68    75    76    52   4.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
END
