* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    141    205     413
    1     0 S   NP   _N1_     1    29.95346    90.64729   -22.99620
    2     1 S   H    _HN1     2     1.02752   109.56583   -63.48854
    3     1 S   H    _H1_     3     1.03545   106.65147    51.84210
    4     1 S   H    _H2_     4     1.02732     1.42629   -53.93152
    5     1 S   CT   _CA1     5     1.50025   110.41919   172.51596
    6     5 S   HC   _HA1     6     1.09592   105.09410    65.67099
    7     5 S   CO3  _C1_     7     1.53774   112.70839   -54.16445
    8     7 S   O2Z  _O11     8     1.26283   115.36455   -46.52027
    9     7 S   O2Z  _O12     9     1.26332   114.77849   132.55244
   10     5 S   CT   _CB1    10     1.52990   107.23145  -176.80518
   11    10 S   HC   HB11    11     1.09810   109.08194   -51.02167
   12    10 S   HC   HB12    12     1.09798   110.40698    65.28176
   13    10 S   CT   _CG1    13     1.53072   113.09639  -172.69319
   14    13 S   HC   HG11    14     1.09537   110.11101   -62.41110
   15    13 S   HC   HG12    15     1.09585   110.58205    56.78726
   16    13 S   C    _CD1    16     1.51789   110.95503   176.07110
   17    16 S   O    _OE1    17     1.22863   122.49401   -33.76616
   18    16 S   N    _N2_    18     1.38540   112.70256   147.39546
   19    18 S   H    _HN2    19     1.01546   119.53143     2.21558
   20    18 S   CT1  _CA2    20     1.46178   122.79765  -176.62513
   21    20 S   HC   _HA2    21     1.09745   109.14755    -7.53103
   22    20 S   C    _C2_    22     1.53369   109.02621  -123.16049
   23    22 S   O    _O2_    23     1.23062   122.31209  -149.88273
   24    20 S   CT   _CB2    32     1.53680   111.98659   113.78869
   25    24 S   HC   HB21    33     1.09552   109.80380    62.71492
   26    24 S   HC   HB22    34     1.09344   109.03589  -178.73329
   27    22 S   N    _N3_    24     1.38373   113.64112    37.75463
   28    27 S   H    _HN3    25     1.01649   119.46997    -3.89742
   29    24 S   S    _SG2    35     1.83223   111.43153   -57.92289
   30    27 S   CT   _CA3    26     1.45284   122.98198   176.77147
   31    30 S   HC   HA31    27     1.09558   107.56208   -62.44172
   32    30 S   HC   HA32    28     1.09564   107.86725    53.90213
   33    29 S   CT   _C6_    36     1.87351   102.46897  -170.38317
   34    33 S   OM   _O33    37     1.32116   108.52488   -57.40241
   35    30 S   CO3  _C3_    29     1.52896   114.28500   175.88344
   36    35 S   O2Z  _O31    30     1.26340   116.10363    -0.23573
   37    35 S   O2Z  _O32    31     1.26442   114.38679   179.80218
   38    33 S   CT   _C5_    38     1.56613   112.23202    62.50416
   39    38 S   HC   _H3_    39     1.09894   109.69052   -70.25007
   40    33 S   S    _S1_    46     1.87562   107.01724  -171.63839
   41    38 S   CT   _C4_    40     1.53552   115.73851   169.11772
   42    41 S   HC   _H4_    41     1.09433   111.96958   -68.62748
   43    41 S   HC   _H5_    42     1.09375   112.12828    54.49284
   44    41 S   HC   _H6_    43     1.09635   109.74499   174.27501
   45    38 S   OH   _O40    44     1.43301   111.03286    46.22608
   46    45 S   HO   _H22    45     0.97199   107.52245  -175.90997
   47    40 S   CT   _C7_    47     1.83327   102.57639   -66.08539
   48    47 S   HC   _H7_    48     1.09249   109.75850    47.30262
   49    47 S   HC   _H8_    49     1.09371   108.18943   -70.67925
   50    47 S   CT1  _C8_    50     1.53774   112.36044   168.88915
   51    50 S   HC   _H9_    51     1.09789   108.23978  -179.60140
   52    50 S   C    _C9_    52     1.53170   113.06636   -60.67476
   53    52 S   O    _O34    53     1.23043   122.71069   111.31144
   54    50 S   N    _N5_    62     1.45888   112.26051    62.48858
   55    54 S   H    _H13    63     1.01631   117.44596   -97.14793
   56    52 S   N    _N4_    54     1.38484   113.05197   -68.48960
   57    56 S   H    _H10    55     1.01623   120.42883    -0.30390
   58    54 S   C    _C12    64     1.38478   122.97916    80.34849
   59    58 S   O    _O37    65     1.22759   124.84495     1.23638
   60    56 S   CT   _C10    56     1.45393   122.27009   178.66119
   61    60 S   HC   _H11    57     1.09580   107.37588   -64.32297
   62    60 S   HC   _H12    58     1.09565   108.02245    51.97923
   63    58 S   CT   _C13    66     1.51897   111.78950  -179.25822
   64    63 S   HC   _H14    67     1.09587   107.98690    57.50210
   65    63 S   HC   _H15    68     1.09567   107.53672   -58.82780
   66    60 S   CO3  _C11    59     1.52778   114.56935   174.05855
   67    66 S   O2Z  _O36    60     1.26269   116.30238    -2.93518
   68    66 S   O2Z  _O35    61     1.26568   114.47204   176.89417
   69    63 S   CT   _C14    69     1.53118   112.17245   179.40587
   70    69 S   HC   _H16    70     1.09837   109.09078    58.62492
   71    69 S   HC   _H17    71     1.09786   108.97421   -56.18686
   72    69 S   CT   _C15    72     1.53235   114.42443  -178.79748
   73    72 S   HC   _H18    73     1.09705   108.23244  -177.95665
   74    72 S   CO3  _C16    74     1.54135   114.60991    63.84185
   75    74 S   O2Z  _O39    75     1.26169   115.76144    38.35472
   76    74 S   O2Z  _O38    76     1.26472   114.65284  -142.54106
   77    72 S   NP   _N6_    77     1.50047   108.94784   -65.01776
   78    77 S   H    _H19    78     1.02797   111.48183    68.32209
   79    77 S   H    _H20    79     1.02760   112.41420   -53.90151
   80    77 S   H    _H21    80     1.02930   109.73671  -174.15206
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1   9   7   9   5   3   2   1   1   1  10   5
   4  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5
   4   2   1   1  11   5   4   8   7   6   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    45    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    44    45    46    40    47    48    49    50  
   38    39    41    45    40    47  
   36    37  
   37  
    0  
   39    41    42    43    44    45    46    40    47  
   41    42    43    44    45    46    40  
   47    48    49    50    51    52    54    41    45  
   42    43    44    45    46  
   43    44    45  
   44    45  
   45  
   46  
    0  
   48    49    50    51    52    53    56    54    55    58  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    56    57    60    54    55    58    59    63  
   52    53    56    54    55    58  
   53    56    57    60    61    62    66    54    55    58  
   56    57    60    54  
   55    58    59    63    64    65    69    56  
   58    59    63  
   57    60    61    62    66    67    68  
   60    61    62    66  
   59    63    64    65    69    70    71    72  
   63    64    65    69  
   61    62    66    67    68  
   62    66    67    68  
   66    67    68  
   64    65    69    70    71    72    73    74    77  
   65    69    70    71    72  
   69    70    71    72  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    74    77  
   72    73    74    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.005000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    45   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   553.000  0.945
   40    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   337.000  1.449
   52    53   570.000  1.229
   52    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    77   367.000  1.471
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   434.000  1.010
   77    79   434.000  1.010
   77    80   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    45    50.00000  109.50000
   33    40    47    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    37.50000  110.70000
   38    45    46    55.00000  108.50000
   41    38    39    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    41    50.00000  109.50000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    50    75.00000  108.68000
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    54    80.00000  109.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    56    70.00000  116.60000
   50    54    55    38.00000  118.40000
   50    54    58    50.00000  121.90000
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  119.80000
   52    56    60    50.00000  121.90000
   56    52    53    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    63.00000  110.10000
   60    56    57    38.00000  118.40000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   68    66    67    80.00000  126.00000
   54    50    51    35.00000  109.50000
   54    50    52    63.00000  110.10000
   54    58    59    80.00000  122.90000
   54    58    63    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    63.00000  111.10000
   63    58    59    80.00000  120.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    70.00000  109.69300
   69    72    77    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    70.00000  117.00000
   72    74    76    70.00000  117.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    72    73    35.00000  109.50000
   77    72    74    80.00000  109.26000
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    47   0.08500  1.0 1.0
   29    33    40    47  -0.53150 -1.0 2.0
   29    33    40    47   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.15000  1.0 3.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    47    48   0.32350  1.0 3.0
   33    40    47    49   0.32350  1.0 3.0
   33    40    47    50   0.01700  1.0 1.0
   33    40    47    50  -0.23550 -1.0 2.0
   33    40    47    50   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    45   3.69350  1.0 1.0
   34    33    38    45  -1.82950 -1.0 2.0
   34    33    40    47   0.13850  1.0 1.0
   34    33    40    47  -1.34450 -1.0 2.0
   34    33    40    47   0.57400  1.0 3.0
   38    33    40    47   0.01700  1.0 1.0
   38    33    40    47  -0.23550 -1.0 2.0
   38    33    40    47   0.21350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    45    46   0.19450  1.0 3.0
   41    38    45    46  -0.11600  1.0 1.0
   41    38    45    46  -0.09450 -1.0 2.0
   41    38    45    46   0.21250  1.0 3.0
   45    38    41    42   0.23400  1.0 3.0
   45    38    41    43   0.23400  1.0 3.0
   45    38    41    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    45   0.56750  1.0 1.0
   40    33    38    45  -0.07550 -1.0 2.0
   40    33    38    45   0.20000  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52  -2.17200  1.0 1.0
   40    47    50    52  -0.85700 -1.0 2.0
   40    47    50    54   0.71400  1.0 1.0
   40    47    50    54   0.04300 -1.0 2.0
   40    47    50    54   0.01450  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    56   0.93250  1.0 1.0
   47    50    52    56   0.04450 -1.0 2.0
   47    50    52    56   0.17550  1.0 3.0
   47    50    54    55   0.00000  1.0 1.0
   47    50    54    58   0.25950  1.0 1.0
   47    50    54    58   0.43850 -1.0 2.0
   47    50    54    58   2.61650  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    54   0.23200  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    54   0.23200  1.0 3.0
   50    52    56    57   2.45000 -1.0 2.0
   50    52    56    60   1.15000  1.0 1.0
   50    52    56    60   3.04450 -1.0 2.0
   50    54    58    59   3.04450 -1.0 2.0
   50    54    58    63   1.15000  1.0 1.0
   50    54    58    63   3.04450 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    58  -0.29800  1.0 1.0
   52    50    54    58   0.13950 -1.0 2.0
   52    50    54    58  -2.45650  1.0 3.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    66  -0.29800  1.0 1.0
   52    56    60    66   0.13950 -1.0 2.0
   52    56    60    66  -2.45650  1.0 3.0
   53    52    56    57   2.45000 -1.0 2.0
   53    52    56    60   3.04450 -1.0 2.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.37150  1.0 1.0
   54    50    52    56   1.25400 -1.0 2.0
   54    50    52    56  -0.40250  1.0 3.0
   54    58    63    64   0.00000  1.0 1.0
   54    58    63    65   0.00000  1.0 1.0
   54    58    63    69   1.39750  1.0 1.0
   54    58    63    69  -0.07950 -1.0 2.0
   54    58    63    69  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    63   2.45000 -1.0 2.0
   58    63    69    70  -0.11250  1.0 3.0
   58    63    69    71  -0.11250  1.0 3.0
   58    63    69    72  -0.95700  1.0 1.0
   58    63    69    72  -0.18200 -1.0 2.0
   58    63    69    72   0.29450  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    69   0.30150 -1.0 2.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74  -1.63150  1.0 1.0
   63    69    72    74  -0.43550 -1.0 2.0
   63    69    72    74   0.24500  1.0 3.0
   63    69    72    77   1.36600  1.0 1.0
   63    69    72    77  -0.11450 -1.0 2.0
   63    69    72    77   0.24250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   69    72    74    75   0.41150 -1.0 2.0
   69    72    74    76   0.41150 -1.0 2.0
   69    72    77    78   0.17350  1.0 3.0
   69    72    77    79   0.17350  1.0 3.0
   69    72    77    80   0.17350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    77   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74  -0.11250  1.0 3.0
   71    69    72    77   0.19200  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    79   0.13050  1.0 3.0
   73    72    77    80   0.13050  1.0 3.0
   74    72    77    78   0.17350  1.0 3.0
   74    72    77    79   0.17350  1.0 3.0
   74    72    77    80   0.17350  1.0 3.0
   77    72    74    75   0.30150 -1.0 2.0
   77    72    74    76   0.30150 -1.0 2.0
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
   50    56    52    53  10.50000 -1.0 2.0
   57    52    56    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
   55    58    54    50   1.00000 -1.0 2.0
   54    63    58    59  10.50000 -1.0 2.0
   75    72    74    76  10.50000 -1.0 2.0
END
