* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    163    271     495
    1     0 S   NP   _N1_     1    28.60230    96.35120   -22.56778
    2     1 S   H    _HN1     2     1.02785    98.82226   -91.19772
    3     1 S   H    _H1_     3     1.02949    73.54254    15.46225
    4     1 S   H    _H2_     4     1.02828    39.99212   161.41535
    5     1 S   CT   _CA1     5     1.50118   144.49578   117.66916
    6     5 S   HC   _HA1     6     1.09573   105.18642    87.59623
    7     5 S   CO3  _C1_     7     1.53780   112.47406   -32.61445
    8     7 S   O2Z  _O11     8     1.26370   115.00051   -42.19649
    9     7 S   O2Z  _O12     9     1.26241   114.94666   136.91316
   10     5 S   CT   _CB1    10     1.53078   107.41579  -154.43522
   11    10 S   HC   HB11    11     1.09833   109.33911   -49.82170
   12    10 S   HC   HB12    12     1.09812   110.45939    66.77901
   13    10 S   CT   _CG1    13     1.52991   112.61928  -170.80724
   14    13 S   HC   HG11    14     1.09581   110.63270   -66.21917
   15    13 S   HC   HG12    15     1.09672   109.77772    53.01102
   16    13 S   C    _CD1    16     1.51804   112.22052   173.44073
   17    16 S   O    _OE1    17     1.22731   123.29029     7.32325
   18    16 S   N    _N2_    18     1.38655   111.67427  -172.70599
   19    18 S   H    _HN2    19     1.01578   118.92088     1.59188
   20    18 S   CT1  _CA2    20     1.46203   123.39827   177.16441
   21    20 S   HC   _HA2    21     1.09738   109.38943     3.43598
   22    20 S   C    _C2_    22     1.53592   108.57096  -112.03253
   23    22 S   O    _O2_    23     1.23064   122.28042  -147.68522
   24    20 S   CT   _CB2    32     1.53484   111.65155   125.50832
   25    24 S   HC   HB21    33     1.09491   109.43075    55.68608
   26    24 S   HC   HB22    34     1.09281   109.68177   174.38064
   27    22 S   N    _N3_    24     1.38324   113.72860    39.73700
   28    27 S   H    _HN3    25     1.01578   119.60383    -3.24377
   29    24 S   S    _SG2    35     1.82993   111.16960   -64.67738
   30    27 S   CT   _CA3    26     1.45287   123.21884   177.17201
   31    30 S   HC   HA31    27     1.09549   107.50333   -64.79191
   32    30 S   HC   HA32    28     1.09556   107.99498    51.65050
   33    29 S   CT   _C20    36     1.87826   102.57051  -169.42447
   34    30 S   CO3  _C3_    29     1.52963   114.07518   173.65276
   35    34 S   O2Z  _O31    30     1.26378   116.06891    -0.67984
   36    34 S   O2Z  _O32    31     1.26429   114.41126   179.38229
   37    33 S   CT   _C7_    37     1.55016   105.12301  -168.21085
   38    37 S   HC   _H24    38     1.09767   111.27821   -50.41428
   39    37 S   HC   _H25    39     1.09526   111.68742  -168.82365
   40    33 S   CT   _C14    74     1.54593   106.62664    75.55830
   41    40 S   HC   _H38    75     1.09808   110.52439    63.10770
   42    40 S   HC   _H39    76     1.09626   110.60637   -54.31293
   43    37 S   CO4  _C4_    40     1.51605   112.58745    71.94072
   44    43 S   O    _O19    41     1.23062   121.41987  -137.09017
   45    43 S   CT   _C6_    42     1.50982   116.89594    48.86569
   46    45 S   HC   _H22    43     1.09444   108.37872    74.12820
   47    45 S   HC   _H23    44     1.09537   108.82261  -168.90154
   48    45 S   CT   _C9_    45     1.52151   110.69287   -48.48353
   49    48 S   HC   _H28    46     1.09450   109.64028   176.75080
   50    48 S   HC   _H29    47     1.09669   108.62504   -69.48255
   51    33 S   CT   _C15    48     1.56487   113.40911   -47.91247
   52    51 S   HC   _H40    49     1.09725   108.93511    55.01038
   53    51 S   CT   _C17    50     1.56438   111.55858   170.88991
   54    53 S   HC   _H42    51     1.09824   108.59407    62.22179
   55    53 S   CT   _C11    52     1.55299   112.75221   179.19741
   56    55 S   HC   _H32    53     1.09645   109.43470    49.61468
   57    55 S   HC   _H33    54     1.09567   109.85024   -66.87964
   58    53 S   CT   _C18    69     1.55872   110.11678   -54.98643
   59    58 S   HC   _H43    70     1.09714   109.01083   -58.65603
   60    55 S   CT   _C13    55     1.53946   114.20800   172.72560
   61    60 S   HC   _H36    56     1.09797   109.16622    70.37382
   62    60 S   HC   _H37    57     1.09684   109.63919  -174.09943
   63    58 S   CT   _C12    71     1.53003   110.56874    59.04774
   64    63 S   HC   _H34    72     1.09649   110.02699  -178.17233
   65    63 S   HC   _H35    73     1.09596   110.52022    64.64499
   66    60 S   CT   _C19    58     1.52403   111.12036   -51.32161
   67    66 S   CO4  _C5_    59     1.51791   116.61160   167.03142
   68    67 S   O    _O20    60     1.22379   124.72345    40.54529
   69    66 S   CT   _C21    77     1.53969   111.26985   -70.44859
   70    69 S   HC   _H44    78     1.09311   112.88502    61.07478
   71    69 S   HC   _H45    79     1.09688   110.16660   -58.77917
   72    69 S   HC   _H46    80     1.09526   112.43743  -177.15277
   73    67 S   CT   _C8_    61     1.51928   111.35359  -140.83647
   74    73 S   HC   _H26    62     1.09377   108.83505   118.39710
   75    73 S   HC   _H27    63     1.09203   111.07508  -119.20166
   76    73 S   CT   _C10    64     1.53588   103.01227     0.42521
   77    76 S   HC   _H30    65     1.09443   110.94393   146.87114
   78    76 S   HC   _H31    66     1.09534   111.09636   -93.32762
   79    66 S   CT   _C16    67     1.54212   107.70781    57.77659
   80    79 S   HC   _H41    68     1.10409   108.59087    51.91775
  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  13   5   4   3
  21   2   1   1  15   6   5  13   6   5   8   4   8   5   4   8
   4   3  11   4  16   8  12   6   5  14   7  13   5   4   6   2
   1  14  13   6   7   3   2   1   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    53    63    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    54    55    58    63    64    65    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    53    63    40    41    42  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    43    48    51    52    53    58    59    63    64    65    79  
   42    51    58    63    64    65  
   51    58    63    64    65  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    58  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    60    79    58    59    63  
   53    54    55    58  
   54    55    56    57    60    61    62    66    76    79    80    58    59    63    64    65  
   55    56    57    60    79    58    59    63  
   56    57    60    61    62    66    67    79    58    59    63    69  
   57    60    61    62    66    58  
   60    61    62    66    58  
   59    63    64    65    69    60    66    67    73    76    77    78    79    80  
   63    64    65    66    76    79    80  
   61    62    66    67    68    73    76    79    80    69    70    71    72  
   62    66    67    79    69  
   66    67    79    69  
   64    65    66    76    79    80  
   65    79  
   79  
   67    68    73    74    75    76    77    78    79    80    69    70    71    72  
   68    73    74    75    76    77    78    79    80    69    70    71    72  
   73    74    75    76    79    69  
   70    71    72    73    76    79    80  
   71    72    79  
   72    79  
   79  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   317.000  1.522
   66    79   268.000  1.529
   66    69   268.000  1.529
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    79    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    63    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    63.00000  111.10000
   60    66    79    58.35000  112.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    67    68    80.00000  120.40000
   66    67    73    70.00000  116.00000
   66    79    76    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    58    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    63.00000  111.10000
   73    67    68    80.00000  120.40000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    58    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    66    67    63.00000  111.10000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    58    59    37.50000  110.70000
   79    58    63    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    79    80    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    40    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    40    41    37.50000  110.70000
   63    40    42    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   42    40    41    33.00000  107.80000
   69    66    67    63.00000  111.10000
   69    66    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.56750  1.0 1.0
   33    51    53    55  -0.07550 -1.0 2.0
   33    51    53    55   0.20000  1.0 3.0
   33    51    53    58   0.56750  1.0 1.0
   33    51    53    58  -0.07550 -1.0 2.0
   33    51    53    58   0.20000  1.0 3.0
   37    33    51    48   0.56750  1.0 1.0
   37    33    51    48  -0.07550 -1.0 2.0
   37    33    51    48   0.20000  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    40    63   0.56750  1.0 1.0
   37    33    40    63  -0.07550 -1.0 2.0
   37    33    40    63   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45    48    50  -0.11250  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -51    33   0.56750  1.0 1.0
   45    48   -51    33  -0.07550 -1.0 2.0
   45    48   -51    33   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.56750  1.0 1.0
   45    48    51    53  -0.07550 -1.0 2.0
   45    48    51    53   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    55   0.56750  1.0 1.0
   48    51    53    55  -0.07550 -1.0 2.0
   48    51    53    55   0.20000  1.0 3.0
   48    51    53    58   0.56750  1.0 1.0
   48    51    53    58  -0.07550 -1.0 2.0
   48    51    53    58   0.20000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    63   0.56750  1.0 1.0
   51    33    40    63  -0.07550 -1.0 2.0
   51    33    40    63   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53    55    60   0.56750  1.0 1.0
   51    53    55    60  -0.07550 -1.0 2.0
   51    53    55    60   0.20000  1.0 3.0
   51    53    58    79   0.56750  1.0 1.0
   51    53    58    79  -0.07550 -1.0 2.0
   51    53    58    79   0.20000  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53   -58    63   0.56750  1.0 1.0
   51    53   -58    63  -0.07550 -1.0 2.0
   51    53   -58    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   53    55    60    61   0.15000  1.0 3.0
   53    55    60    62   0.15000  1.0 3.0
   53    55    60    66   0.56750  1.0 1.0
   53    55    60    66  -0.07550 -1.0 2.0
   53    55    60    66   0.20000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    40   0.56750  1.0 1.0
   53    58    63    40  -0.07550 -1.0 2.0
   53    58    63    40   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.15000  1.0 3.0
   54    53    58    79   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    79   0.56750  1.0 1.0
   55    53    58    79  -0.07550 -1.0 2.0
   55    53    58    79   0.20000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    63   0.56750  1.0 1.0
   55    53    58    63  -0.07550 -1.0 2.0
   55    53    58    63   0.20000  1.0 3.0
   55    60    66    67  -0.95700  1.0 1.0
   55    60    66    67  -0.18200 -1.0 2.0
   55    60    66    67   0.29450  1.0 3.0
   55    60   -66    79   0.56750  1.0 1.0
   55    60   -66    79  -0.07550 -1.0 2.0
   55    60   -66    79   0.20000  1.0 3.0
   55    60    66    69   0.56750  1.0 1.0
   55    60    66    69  -0.07550 -1.0 2.0
   55    60    66    69   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   60    66    67    68   0.30150 -1.0 2.0
   60    66    67    73   0.60050  1.0 1.0
   60    66    67    73   0.05600 -1.0 2.0
   60    66    67    73   0.26150  1.0 3.0
   60    66    79    76   0.56750  1.0 1.0
   60    66    79    76  -0.07550 -1.0 2.0
   60    66    79    76   0.20000  1.0 3.0
   60    66    79    80   0.15000  1.0 3.0
   60    66    79    58   0.56750  1.0 1.0
   60    66    79    58  -0.07550 -1.0 2.0
   60    66    79    58   0.20000  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71   0.15000  1.0 3.0
   60    66    69    72   0.15000  1.0 3.0
   61    60    66    67  -0.11250  1.0 3.0
   61    60    66    79   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67  -0.11250  1.0 3.0
   62    60    66    79   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.00000  1.0 1.0
   66    67   -73    76   0.60050  1.0 1.0
   66    67   -73    76   0.05600 -1.0 2.0
   66    67   -73    76   0.26150  1.0 3.0
   66    79   -58    53   0.56750  1.0 1.0
   66    79   -58    53  -0.07550 -1.0 2.0
   66    79   -58    53   0.20000  1.0 3.0
   66    79    58    59   0.15000  1.0 3.0
   66    79    58    63   0.56750  1.0 1.0
   66    79    58    63  -0.07550 -1.0 2.0
   66    79    58    63   0.20000  1.0 3.0
   67    66   -79    76  -0.95700  1.0 1.0
   67    66   -79    76  -0.18200 -1.0 2.0
   67    66   -79    76   0.29450  1.0 3.0
   67    66    79    80  -0.11250  1.0 3.0
   67    66    79    58  -0.95700  1.0 1.0
   67    66    79    58  -0.18200 -1.0 2.0
   67    66    79    58   0.29450  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    71  -0.11250  1.0 3.0
   67    66    69    72  -0.11250  1.0 3.0
   67    73    76    77  -0.11250  1.0 3.0
   67    73    76    78  -0.11250  1.0 3.0
   67    73   -76    79  -0.95700  1.0 1.0
   67    73   -76    79  -0.18200 -1.0 2.0
   67    73   -76    79   0.29450  1.0 3.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.00000  1.0 1.0
   68    67    73    76   0.30150 -1.0 2.0
   73    76   -79    66   0.56750  1.0 1.0
   73    76   -79    66  -0.07550 -1.0 2.0
   73    76   -79    66   0.20000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    58   0.56750  1.0 1.0
   73    76    79    58  -0.07550 -1.0 2.0
   73    76    79    58   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    58    53   0.56750  1.0 1.0
   76    79    58    53  -0.07550 -1.0 2.0
   76    79    58    53   0.20000  1.0 3.0
   76    79    58    59   0.15000  1.0 3.0
   76    79    58    63   0.56750  1.0 1.0
   76    79    58    63  -0.07550 -1.0 2.0
   76    79    58    63   0.20000  1.0 3.0
   77    76    79    66   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    58   0.15000  1.0 3.0
   78    76    79    66   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    58   0.15000  1.0 3.0
   79    66    67    68   0.30150 -1.0 2.0
   79    66   -67    73   0.60050  1.0 1.0
   79    66   -67    73   0.05600 -1.0 2.0
   79    66   -67    73   0.26150  1.0 3.0
   79    66    69    70   0.15000  1.0 3.0
   79    66    69    71   0.15000  1.0 3.0
   79    66    69    72   0.15000  1.0 3.0
   79    58    63    64   0.15000  1.0 3.0
   79    58    63    65   0.15000  1.0 3.0
   79    58    63    40   0.56750  1.0 1.0
   79    58    63    40  -0.07550 -1.0 2.0
   79    58    63    40   0.20000  1.0 3.0
   80    79    58    53   0.15000  1.0 3.0
   80    79    58    59   0.15000  1.0 3.0
   80    79    58    63   0.15000  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53   -55    60   0.56750  1.0 1.0
   58    53   -55    60  -0.07550 -1.0 2.0
   58    53   -55    60   0.20000  1.0 3.0
   58    63   -40    33   0.56750  1.0 1.0
   58    63   -40    33  -0.07550 -1.0 2.0
   58    63   -40    33   0.20000  1.0 3.0
   58    63    40    41   0.15000  1.0 3.0
   58    63    40    42   0.15000  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    40   0.15000  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    42   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   65    63    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33   -51    53   0.56750  1.0 1.0
   40    33   -51    53  -0.07550 -1.0 2.0
   40    33   -51    53   0.20000  1.0 3.0
   69    66    67    68   0.30150 -1.0 2.0
   69    66    67    73   0.60050  1.0 1.0
   69    66    67    73   0.05600 -1.0 2.0
   69    66    67    73   0.26150  1.0 3.0
   69    66    79    76   0.56750  1.0 1.0
   69    66    79    76  -0.07550 -1.0 2.0
   69    66    79    76   0.20000  1.0 3.0
   69    66    79    80   0.15000  1.0 3.0
   69    66    79    58   0.56750  1.0 1.0
   69    66    79    58  -0.07550 -1.0 2.0
   69    66    79    58   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
