* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    163    271     495
    1     0 S   NP   _N1_     1    28.69961    97.02600   -22.65137
    2     1 S   H    _HN1     2     1.02950    70.20260    15.92212
    3     1 S   H    _H1_     3     1.02829    42.61936   164.38419
    4     1 S   H    _H2_     4     1.02786   100.08244   -90.10075
    5     1 S   CT   _CA1     5     1.50120   144.74399   113.54310
    6     5 S   HC   _HA1     6     1.09573   105.19724    93.40975
    7     5 S   CO3  _C1_     7     1.53789   112.43294   -26.83684
    8     7 S   O2Z  _O11     8     1.26375   115.00455   -42.93151
    9     7 S   O2Z  _O12     9     1.26237   114.94766   136.16781
   10     5 S   CT   _CB1    10     1.53076   107.41769  -148.60145
   11    10 S   HC   HB11    11     1.09834   109.38792   -49.56829
   12    10 S   HC   HB12    12     1.09813   110.44149    67.03879
   13    10 S   CT   _CG1    13     1.52996   112.61222  -170.53494
   14    13 S   HC   HG11    14     1.09582   110.64047   -65.41155
   15    13 S   HC   HG12    15     1.09668   109.78977    53.83008
   16    13 S   C    _CD1    16     1.51801   112.18856   174.29635
   17    16 S   O    _OE1    17     1.22738   123.27292     7.18930
   18    16 S   N    _N2_    18     1.38649   111.70091  -172.96001
   19    18 S   H    _HN2    19     1.01588   118.97810     1.65942
   20    18 S   CT1  _CA2    20     1.46211   123.37149   177.77754
   21    20 S   HC   _HA2    21     1.09742   109.34923     3.01656
   22    20 S   C    _C2_    22     1.53576   108.71272  -112.47762
   23    22 S   O    _O2_    23     1.23067   122.25338  -148.57036
   24    20 S   CT   _CB2    32     1.53532   111.62706   124.97800
   25    24 S   HC   HB21    33     1.09464   109.33292    56.40905
   26    24 S   HC   HB22    34     1.09265   109.61700   175.25988
   27    22 S   N    _N3_    24     1.38320   113.75305    38.91422
   28    27 S   H    _HN3    25     1.01580   119.58804    -3.38564
   29    24 S   S    _SG2    35     1.82893   111.02997   -64.01273
   30    27 S   CT   _CA3    26     1.45283   123.20557   177.12166
   31    30 S   HC   HA31    27     1.09550   107.51897   -64.43586
   32    30 S   HC   HA32    28     1.09558   107.97384    51.99857
   33    29 S   CT   _C20    36     1.87960   102.87990  -171.32042
   34    30 S   CO3  _C3_    29     1.52958   114.08976   173.99916
   35    34 S   O2Z  _O31    30     1.26376   116.07458    -0.29275
   36    34 S   O2Z  _O32    31     1.26430   114.40908   179.76097
   37    33 S   CT   _C7_    37     1.54002   110.52756   -51.55227
   38    37 S   HC   _H24    38     1.09793   110.51541   177.23246
   39    37 S   HC   _H25    39     1.09408   112.51350    59.06851
   40    33 S   CT   _C14    74     1.54579   109.72659    69.37999
   41    40 S   HC   _H38    75     1.09519   111.56642   -57.89300
   42    40 S   HC   _H39    76     1.09925   108.76895  -173.42848
   43    37 S   CO4  _C4_    40     1.51182   111.22345   -64.46137
   44    43 S   O    _O19    41     1.22977   121.71784   131.30770
   45    43 S   CT   _C6_    42     1.50909   116.23714   -53.77798
   46    45 S   HC   _H22    43     1.09512   109.18552   170.34726
   47    45 S   HC   _H23    44     1.09578   107.61998   -72.80705
   48    45 S   CT   _C9_    45     1.52581   111.85800    48.64375
   49    48 S   HC   _H28    46     1.09595   109.75567    75.48314
   50    48 S   HC   _H29    47     1.09540   107.14393  -169.53589
   51    33 S   CT   _C15    48     1.57346   109.83009  -170.95549
   52    51 S   HC   _H40    49     1.10181   106.89527   178.57467
   53    51 S   CT   _C17    50     1.55846   112.18097   -65.64372
   54    53 S   HC   _H42    51     1.09831   108.51516    60.84767
   55    53 S   CT   _C11    52     1.55131   113.34537   177.65065
   56    55 S   HC   _H32    53     1.09638   109.51365    50.49251
   57    55 S   HC   _H33    54     1.09604   109.76957   -66.09750
   58    53 S   CT   _C18    69     1.56030   109.61735   -56.74932
   59    58 S   HC   _H43    70     1.09727   108.73036   -60.61992
   60    55 S   CT   _C13    55     1.54048   113.85612   173.55329
   61    60 S   HC   _H36    56     1.09796   109.15770    69.96848
   62    60 S   HC   _H37    57     1.09682   109.63112  -174.49612
   63    58 S   CT   _C12    71     1.53220   111.30169    56.77349
   64    63 S   HC   _H34    72     1.09661   109.74983  -175.74900
   65    63 S   HC   _H35    73     1.09598   110.46082    67.29237
   66    60 S   CT   _C19    58     1.52503   111.16790   -51.69597
   67    66 S   CO4  _C5_    59     1.51808   116.71445   166.75393
   68    67 S   O    _O20    60     1.22382   124.73957    40.35339
   69    66 S   CT   _C21    77     1.53999   111.16320   -70.83335
   70    69 S   HC   _H44    78     1.09307   112.89526    60.92045
   71    69 S   HC   _H45    79     1.09691   110.15794   -58.91090
   72    69 S   HC   _H46    80     1.09523   112.45894  -177.27487
   73    67 S   CT   _C8_    61     1.51975   111.34046  -141.09336
   74    73 S   HC   _H26    62     1.09378   108.83146   118.47271
   75    73 S   HC   _H27    63     1.09204   111.06629  -119.13836
   76    73 S   CT   _C10    64     1.53610   103.03903     0.49099
   77    76 S   HC   _H30    65     1.09446   110.99103   146.84188
   78    76 S   HC   _H31    66     1.09531   111.10858   -93.32190
   79    66 S   CT   _C16    67     1.54310   107.86410    57.44526
   80    79 S   HC   _H41    68     1.10409   108.58781    52.19857
  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
