* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    237     446
    1     0 S   NP   _N1_     1    29.55008    92.74927   -24.76369
    2     1 S   H    _HN1     2     1.02786   100.85421  -117.66764
    3     1 S   H    _H1_     3     1.02956   103.90985    -5.56923
    4     1 S   H    _H2_     4     1.02844     9.62398   105.14979
    5     1 S   CT   _CA1     5     1.50082   120.13899   118.55835
    6     5 S   HC   _HA1     6     1.09566   105.34016    57.13585
    7     5 S   CO3  _C1_     7     1.53890   112.09007   -63.31340
    8     7 S   O2Z  _O11     8     1.26376   115.06404   -51.07310
    9     7 S   O2Z  _O12     9     1.26228   114.85905   128.06966
   10     5 S   CT   _CB1    10     1.53064   107.44726   175.13015
   11    10 S   HC   HB11    11     1.09826   109.73113   -49.61506
   12    10 S   HC   HB12    12     1.09812   110.19133    66.88708
   13    10 S   CT   _CG1    13     1.53067   112.59150  -170.59999
   14    13 S   HC   HG11    14     1.09595   110.53020   -56.23469
   15    13 S   HC   HG12    15     1.09612   110.09893    63.08612
   16    13 S   C    _CD1    16     1.51713   111.98907  -176.22094
   17    16 S   O    _OE1    17     1.22751   123.17990    -4.20775
   18    16 S   N    _N2_    18     1.38634   111.90444   175.11232
   19    18 S   H    _HN2    19     1.01581   119.15057     5.33157
   20    18 S   CT1  _CA2    20     1.46053   123.17473  -175.06192
   21    20 S   HC   _HA2    21     1.09599   109.20739     5.31102
   22    20 S   C    _C2_    22     1.53472   109.65957  -110.08132
   23    22 S   O    _O2_    23     1.23072   121.91218  -147.03804
   24    20 S   CT   _CB2    32     1.53532   111.71116   126.91191
   25    24 S   HC   HB21    33     1.09693   109.26477    69.86563
   26    24 S   HC   HB22    34     1.09507   110.64270  -173.87356
   27    22 S   N    _N3_    24     1.38397   113.80961    40.57254
   28    27 S   H    _HN3    25     1.01458   119.13570    -0.23656
   29    24 S   S    _SG2    35     1.83247   116.05134   -49.29373
   30    27 S   CT   _CA3    26     1.45450   123.30428   174.74186
   31    30 S   HC   HA31    27     1.09530   109.12847    27.13793
   32    30 S   HC   HA32    28     1.09491   107.16257   144.15396
   33    29 S   CT   _C8_    36     1.85582   101.83943   -56.70558
   34    33 S   HC   _H4_    37     1.09051   106.41311    49.79320
   35    30 S   CO3  _C3_    29     1.52943   113.13900   -96.23695
   36    35 S   O2Z  _O31    30     1.26400   115.42862   -43.68598
   37    35 S   O2Z  _O32    31     1.26357   114.96361   137.21703
   38    33 S   CA   _C9_    38     1.51828   108.22325   165.53749
   39    33 S   CT   _C7_    50     1.53858   112.37193   -69.99076
   40    39 S   HC   _H3_    51     1.09701   109.41009    48.41809
   41    38 S   CA   _C10    39     1.39829   118.10513   -87.18602
   42    41 S   HA   _H12    40     1.08716   120.57897    -0.97478
   43    39 S   CT   _C5_    52     1.55748   114.83193   169.17071
   44    43 S   HC   _H8_    53     1.09715   110.00587    65.48186
   45    41 S   CA   _C11    41     1.38943   120.75942   179.16961
   46    45 S   HA   _H13    42     1.08740   117.62417  -179.85735
   47    43 S   CT   _C4_    54     1.53626   110.90540  -176.31252
   48    47 S   HC   _H5_    55     1.09532   111.20958    58.72179
   49    47 S   HC   _H6_    56     1.09436   111.46583   -62.12567
   50    47 S   HC   _H7_    57     1.09552   110.78237   178.75118
   51    43 S   CT   _C6_    58     1.53286   112.43392   -54.54172
   52    51 S   HC   _H9_    59     1.09517   111.22786   -52.75687
   53    51 S   HC   _H10    60     1.09558   110.89874  -172.88751
   54    51 S   HC   _H11    61     1.09393   111.48297    68.39055
   55    45 S   CA   _C12    43     1.40598   121.45253    -0.70304
   56    55 S   CA   _C13    44     1.42069   118.69058    -2.11951
   57    38 S   CA   _C14    45     1.40934   122.75409    90.75889
   58    56 S   CT   _C17    62     1.51535   119.94834  -176.83875
   59    58 S   HC   _H14    63     1.09539   109.78764   134.09210
   60    58 S   HC   _H15    64     1.09712   108.10652  -107.53132
   61    57 S   CO4  _C15    46     1.49488   117.06596     4.60139
   62    61 S   O    _O33    47     1.22082   124.88701   179.66080
   63    58 S   CT   _C18    65     1.52224   115.25642    14.49712
   64    63 S   HC   _H16    66     1.09582   110.20733    76.28460
   65    63 S   HC   _H17    67     1.09625   109.40192  -167.02227
   66    61 S   CO4  _C16    48     1.50757   119.10219     0.99308
   67    66 S   O    _O34    49     1.22292   118.95916  -157.07717
   68    63 S   CT   _C19    68     1.51505   109.97369   -45.96848
   69    68 S   HC   _H18    69     1.09732   109.55821  -174.51899
   70    68 S   HC   _H19    70     1.09901   108.53431   -58.84327
   71    55 S   CT   _C20    71     1.53749   118.78022   179.46113
   72    71 S   CT   _C21    72     1.54487   108.86754    71.17910
   73    72 S   HC   _H20    73     1.09597   111.12108   175.87156
   74    72 S   HC   _H21    74     1.09539   112.00904    55.15393
   75    72 S   HC   _H22    75     1.09645   111.57045   -64.55403
   76    71 S   CT   _C22    76     1.54775   111.68302   -48.36289
   77    76 S   HC   _H23    77     1.09659   110.91815  -174.23153
   78    76 S   HC   _H24    78     1.09507   112.54767    66.34122
   79    76 S   HC   _H25    79     1.09644   111.17241   -54.35202
  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
  16   7   2   1   1  14  17   7   8   4  12   9   9   3   8   3
   2   1   4   2   1   1  19  14   9  10   5   4   3   2   8   5
   4   1   1  11   4   3   8   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    66    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    57    61    66    67    39    40    43    44    47    51  
   38    41    57    66    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    55    56    57    61    62    66    39    40    43    58  
   40    43    44    47    48    49    50    51    52    53    54    41    57    61    62    66    67  
   43    44    47    51    61    66    67  
   42    45    46    55    56    57    61    71  
   45    46    55    57  
   44    47    48    49    50    51    52    53    54    61    66    67  
   47    48    49    50    51    52    53    54    66  
   46    55    56    57    58    68    71    72    76  
   55    56    71  
   48    49    50    51    52    53    54    66  
   49    50    51  
   50    51  
   51  
   52    53    54    66  
   53    54  
   54  
    0  
   56    57    61    58    59    60    63    68    69    70    71    72    73    74    75    76    77    78    79  
   57    61    62    66    58    59    60    63    64    65    68    71    72    76  
   61    62    66    67    58    59    60    63    71  
   59    60    63    64    65    68    69    70    71    61  
   60    63    64    65    68  
   63    64    65    68  
   62    66    67  
   66    67  
   64    65    68    69    70    71    72    76  
   65    68    69    70    71  
   68    69    70    71  
   67  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    76  
   71    72    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   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  -0.335000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    55   469.000  1.400
   55    56   469.000  1.400
   55    71   317.000  1.510
   56    57   469.000  1.400
   56    58   317.000  1.510
   57    61   310.000  1.470
   61    62   570.000  1.229
   61    66   250.000  1.523
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    66    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    56    63.00000  120.00000
   38    57    61    60.00000  119.52600
   41    45    46    35.00000  120.00000
   41    45    55    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    55    56    63.00000  120.00000
   45    55    71    70.00000  120.00000
   55    45    46    35.00000  120.00000
   55    56    57    63.00000  120.00000
   55    56    58    70.00000  120.00000
   55    71    68    70.00000  112.17500
   55    71    72    70.00000  112.17500
   55    71    76    70.00000  112.17500
   56    57    61    60.00000  119.52600
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    63    70.00000  112.17500
   57    38    41    63.00000  120.00000
   57    61    62    75.00000  123.78400
   57    61    66    60.00000  117.28700
   61    66    67    80.00000  119.30300
   61    66    39    65.00000  115.45000
   66    61    62    80.00000  119.30300
   66    39    40    35.00000  109.50000
   66    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    66    67    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    47    58.35000  112.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   58    56    57    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    71    72    58.35000  112.70000
   68    71    76    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    55    56    70.00000  120.00000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    75    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    71    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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  -0.23050  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  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    57    56   3.62500 -1.0 2.0
   33    38    57    61   3.62500 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    66  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    66   0.56750  1.0 1.0
   38    33    39    66  -0.07550 -1.0 2.0
   38    33    39    66   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.03700  1.0 1.0
   38    33    39    43   0.37200 -1.0 2.0
   38    33    39    43  -0.47300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    55   3.62500 -1.0 2.0
   38    57    61    62   1.05000 -1.0 2.0
   38    57   -61    66   0.56600 -1.0 2.0
   41    38    57    56   3.62500 -1.0 2.0
   41    38    57    61   3.62500 -1.0 2.0
   41    45   -55    56   3.62500 -1.0 2.0
   41    45    55    71   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    55   3.62500 -1.0 2.0
   45    55    56    57   3.62500 -1.0 2.0
   45    55    56    58   3.62500 -1.0 2.0
   45    55    71    68   0.04150 -1.0 2.0
   45    55    71    72   0.04150 -1.0 2.0
   45    55    71    76   0.04150 -1.0 2.0
   46    45    55    56   3.62500 -1.0 2.0
   46    45    55    71   3.62500 -1.0 2.0
   55    56   -57    38   3.62500 -1.0 2.0
   55    56    57    61   3.62500 -1.0 2.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    58    60   0.00000  1.0 1.0
   55    56    58    63   0.04150 -1.0 2.0
   55    71    72    73   0.43200  1.0 3.0
   55    71    72    74   0.43200  1.0 3.0
   55    71    72    75   0.43200  1.0 3.0
   55    71    76    77   0.43200  1.0 3.0
   55    71    76    78   0.43200  1.0 3.0
   55    71    76    79   0.43200  1.0 3.0
   56    55    71    68   0.04150 -1.0 2.0
   56    55    71    72   0.04150 -1.0 2.0
   56    55    71    76   0.04150 -1.0 2.0
   56    57    61    62   1.05000 -1.0 2.0
   56    57    61    66   0.56600 -1.0 2.0
   56    58    63    64   0.43200  1.0 3.0
   56    58    63    65   0.43200  1.0 3.0
   56    58   -63    68  -0.03700  1.0 1.0
   56    58   -63    68   0.37200 -1.0 2.0
   56    58   -63    68  -0.47300  1.0 3.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   57    56    58    63   0.04150 -1.0 2.0
   57    61    66    67   0.03000  1.0 1.0
   57    61    66    67   0.58800 -1.0 2.0
   57    61    66    67   0.15550  1.0 3.0
   57    61    66    39   0.43900  1.0 1.0
   57    61    66    39  -0.18150 -1.0 2.0
   57    61    66    39  -0.03650  1.0 3.0
   61    66   -39    33   0.65300  1.0 1.0
   61    66   -39    33  -0.03850 -1.0 2.0
   61    66   -39    33   0.33900  1.0 3.0
   61    66    39    40   0.00000  1.0 1.0
   61    66    39    43   0.65300  1.0 1.0
   61    66    39    43  -0.03850 -1.0 2.0
   61    66    39    43   0.33900  1.0 3.0
   62    61    66    67   0.06100 -1.0 2.0
   62    61    66    39   0.49600 -1.0 2.0
   66    39    43    44  -0.11250  1.0 3.0
   66    39    43    47  -0.95700  1.0 1.0
   66    39    43    47  -0.18200 -1.0 2.0
   66    39    43    47   0.29450  1.0 3.0
   66    39    43    51  -0.95700  1.0 1.0
   66    39    43    51  -0.18200 -1.0 2.0
   66    39    43    51   0.29450  1.0 3.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.00000  1.0 1.0
   67    66    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    57   0.04150 -1.0 2.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    50   0.15000  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
   58    56    57    38   3.62500 -1.0 2.0
   58    56    57    61   3.62500 -1.0 2.0
   58    63    68    69   0.15000  1.0 3.0
   58    63    68    70   0.15000  1.0 3.0
   58    63    68    71   0.56750  1.0 1.0
   58    63    68    71  -0.07550 -1.0 2.0
   58    63    68    71   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    68   -71    55  -0.03700  1.0 1.0
   63    68   -71    55   0.37200 -1.0 2.0
   63    68   -71    55  -0.47300  1.0 3.0
   63    68    71    72   0.56750  1.0 1.0
   63    68    71    72  -0.07550 -1.0 2.0
   63    68    71    72   0.20000  1.0 3.0
   63    68    71    76   0.56750  1.0 1.0
   63    68    71    76  -0.07550 -1.0 2.0
   63    68    71    76   0.20000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    74   0.15000  1.0 3.0
   68    71    72    75   0.15000  1.0 3.0
   68    71    76    77   0.15000  1.0 3.0
   68    71    76    78   0.15000  1.0 3.0
   68    71    76    79   0.15000  1.0 3.0
   69    68    71    55   0.43200  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    76   0.15000  1.0 3.0
   70    68    71    55   0.43200  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    76   0.15000  1.0 3.0
   71    55    56    57   3.62500 -1.0 2.0
   71    55   -56    58   3.62500 -1.0 2.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   76    71    72    73   0.15000  1.0 3.0
   76    71    72    74   0.15000  1.0 3.0
   76    71    72    75   0.15000  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    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   55    46    45    41   1.10000 -1.0 2.0
   56    71    55    45   4.00000 -1.0 2.0
   57    58    56    55   4.00000 -1.0 2.0
   56    61    57    38   4.00000 -1.0 2.0
   57    66    61    62  10.50000 -1.0 2.0
   61    39    66    67  10.50000 -1.0 2.0
END
