* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    237     446
    1     0 S   NP   _N1_     1    28.70516    96.35958   -23.02872
    2     1 S   H    _HN1     2     1.02786   103.35713   -95.90094
    3     1 S   H    _H1_     3     1.02949    73.03015     9.53986
    4     1 S   H    _H2_     4     1.02828    38.08871   162.03898
    5     1 S   CT   _CA1     5     1.50118   140.12780   111.25190
    6     5 S   HC   _HA1     6     1.09574   105.18134    89.97335
    7     5 S   CO3  _C1_     7     1.53777   112.48470   -30.23638
    8     7 S   O2Z  _O11     8     1.26371   115.00069   -42.03301
    9     7 S   O2Z  _O12     9     1.26240   114.94528   137.06820
   10     5 S   CT   _CB1    10     1.53076   107.41696  -152.05427
   11    10 S   HC   HB11    11     1.09835   109.33313   -49.74727
   12    10 S   HC   HB12    12     1.09812   110.46328    66.85200
   13    10 S   CT   _CG1    13     1.52996   112.62458  -170.72523
   14    13 S   HC   HG11    14     1.09579   110.65199   -66.51839
   15    13 S   HC   HG12    15     1.09672   109.76071    52.71542
   16    13 S   C    _CD1    16     1.51803   112.18742   173.15381
   17    16 S   O    _OE1    17     1.22734   123.27873     8.33390
   18    16 S   N    _N2_    18     1.38656   111.70088  -171.72151
   19    18 S   H    _HN2    19     1.01581   118.92200     1.51646
   20    18 S   CT1  _CA2    20     1.46186   123.37654   176.91536
   21    20 S   HC   _HA2    21     1.09736   109.38286     3.82561
   22    20 S   C    _C2_    22     1.53572   108.62468  -111.68977
   23    22 S   O    _O2_    23     1.23066   122.24620  -147.78723
   24    20 S   CT   _CB2    32     1.53328   111.62335   125.91335
   25    24 S   HC   HB21    33     1.09469   109.81311    56.06830
   26    24 S   HC   HB22    34     1.09506   110.04707   175.18297
   27    22 S   N    _N3_    24     1.38311   113.74704    39.62640
   28    27 S   H    _HN3    25     1.01576   119.61195    -3.24009
   29    24 S   S    _SG2    35     1.82659   111.51139   -64.89876
   30    27 S   CT   _CA3    26     1.45288   123.23221   177.19160
   31    30 S   HC   HA31    27     1.09548   107.50327   -64.84597
   32    30 S   HC   HA32    28     1.09556   107.99941    51.60106
   33    29 S   CT   _C8_    36     1.84701   100.05356  -172.27026
   34    33 S   HC   _H4_    37     1.09567   107.93388    40.01485
   35    30 S   CO3  _C3_    29     1.52968   114.06281   173.60558
   36    35 S   O2Z  _O31    30     1.26380   116.06650    -0.65879
   37    35 S   O2Z  _O32    31     1.26427   114.41231   179.40291
   38    33 S   CA   _C9_    38     1.51771   111.11635   -78.48939
   39    33 S   CT   _C7_    50     1.54866   112.27295   158.69529
   40    39 S   HC   _H3_    51     1.10069   107.99058   177.88141
   41    38 S   CA   _C10    39     1.39636   119.29200    95.00570
   42    41 S   HA   _H12    40     1.08760   120.60194     0.58617
   43    39 S   CT   _C5_    52     1.55836   115.86724   -62.01232
   44    43 S   HC   _H8_    53     1.09751   109.53981    77.66431
   45    41 S   CA   _C11    41     1.39160   120.61834  -178.92717
   46    45 S   HA   _H13    42     1.08726   117.66577   179.90721
   47    43 S   CT   _C4_    54     1.53887   110.79115  -164.05966
   48    47 S   HC   _H5_    55     1.09562   111.07863    62.02759
   49    47 S   HC   _H6_    56     1.09294   112.20815   -58.76362
   50    47 S   HC   _H7_    57     1.09567   110.62591  -178.30765
   51    43 S   CT   _C6_    58     1.53386   113.31755   -42.89179
   52    51 S   HC   _H9_    59     1.09531   111.16782   -54.05571
   53    51 S   HC   _H10    60     1.09575   110.82135  -173.98204
   54    51 S   HC   _H11    61     1.09352   111.78734    67.21695
   55    45 S   CA   _C12    43     1.40721   121.58995    -0.72739
   56    55 S   CA   _C13    44     1.41838   118.57017    -1.87210
   57    38 S   CA   _C14    45     1.40720   121.80722   -85.27582
   58    56 S   CT   _C17    62     1.51448   120.26192  -176.96630
   59    58 S   HC   _H14    63     1.09600   109.93981   136.75973
   60    58 S   HC   _H15    64     1.09716   108.12157  -105.03748
   61    57 S   CO4  _C15    46     1.48817   116.65903     1.54864
   62    61 S   O    _O33    47     1.22121   123.69010   158.35728
   63    58 S   CT   _C18    65     1.52191   114.67643    16.56694
   64    63 S   HC   _H16    66     1.09576   110.31765    74.39221
   65    63 S   HC   _H17    67     1.09616   109.42083  -168.65613
   66    61 S   CO4  _C16    48     1.51176   119.13720   -19.77939
   67    66 S   O    _O34    49     1.22289   117.79267   175.94769
   68    63 S   CT   _C19    68     1.51652   109.67492   -47.84507
   69    68 S   HC   _H18    69     1.09731   109.59373  -174.08480
   70    68 S   HC   _H19    70     1.09904   108.48094   -58.49224
   71    55 S   CT   _C20    71     1.53740   119.02084  -179.94766
   72    71 S   CT   _C21    72     1.54714   111.53197   -49.68536
   73    72 S   HC   _H20    73     1.09655   110.92523  -174.52632
   74    72 S   HC   _H21    74     1.09507   112.51737    65.98669
   75    72 S   HC   _H22    75     1.09644   111.16265   -54.64228
   76    71 S   CT   _C22    76     1.54513   108.89080    69.84929
   77    76 S   HC   _H23    77     1.09601   111.12630   176.14319
   78    76 S   HC   _H24    78     1.09543   111.95879    55.48109
   79    76 S   HC   _H25    79     1.09634   111.62266   -64.29299
  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
