* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    146    230     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02129    99.30428   -51.01243
    3     1 S   H    _H1_     3     1.02057    79.08809    56.40930
    4     1 S   H    _H2_     4     1.02155    36.64229  -159.89191
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.82102    98.21204  -178.14713
   34    33 S   HC   _H3_    37     1.09552   106.94547    39.96375
   35    33 S   HC   _H4_    38     1.09491   108.45118   154.41002
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C20    39     1.53999   112.54027   -81.43669
   40    39 S   HC   _H43    40     1.09984   108.39219    59.50234
   41    39 S   CA   _C9_    41     1.52209   114.34513   -60.57544
   42    39 S   CO4  _C10    52     1.52659   109.35855   174.23704
   43    42 S   O    _O19    53     1.22448   125.27695   123.44546
   44    41 S   CA   _C7_    42     1.39496   119.96577   -34.26489
   45    44 S   HA   _H25    43     1.08667   120.51613     0.00000
   46    42 S   OS   _O20    54     1.37084   109.70579   -56.72481
   47    44 S   CA   _C5_    44     1.39428   120.01067   179.94766
   48    47 S   HA   _H23    45     1.08624   120.00935  -179.97202
   49    46 S   CT   _C17    55     1.42316   115.94701  -179.80416
   50    49 S   HC   _H37    56     1.09716   106.98984    29.98979
   51    47 S   CA   _C4_    46     1.39515   120.01395     0.05234
   52    51 S   HA   _H22    47     1.08625   120.01244  -179.92087
   53    49 S   CT   _C13    57     1.53448   109.31189   148.14218
   54    53 S   HC   _H31    58     1.09887   109.58559    40.51687
   55    53 S   HC   _H32    59     1.09768   109.15208   -74.49753
   56    49 S   CT   _C14    70     1.53522   110.22955   -88.69709
   57    56 S   HC   _H33    71     1.09750   109.17565    75.02419
   58    56 S   HC   _H34    72     1.09860   109.65485   -40.05131
   59    51 S   CA   _C6_    48     1.39496   119.97537    -0.05595
   60    59 S   HA   _H24    49     1.08607   119.99306  -179.90109
   61    53 S   CT   _C15    60     1.54067   112.53252   162.91176
   62    61 S   HC   _H35    61     1.09578   109.01951   179.08614
   63    41 S   CA   _C8_    50     1.39441   120.05654   145.67609
   64    63 S   HA   _H26    51     1.08761   120.50369     0.08847
   65    61 S   CT   _C11    62     1.53235   111.93917    54.45236
   66    65 S   HC   _H27    63     1.09700   110.67848   153.33894
   67    65 S   HC   _H28    64     1.09537   112.74104    33.00692
   68    65 S   CT   _C12    65     1.53075   104.65061   -88.85577
   69    68 S   HC   _H29    66     1.09474   111.88540   122.34273
   70    68 S   HC   _H30    67     1.09678   109.43242  -118.58304
   71    68 S   CT   _C16    68     1.53274   104.60904    -0.03956
   72    71 S   HC   _H36    69     1.09536   112.16285  -148.27145
   73    61 S   NT   _N18    73     1.47557   106.28345   -59.01977
   74    73 S   CT   _C18    74     1.46121   112.79317  -162.06035
   75    74 S   HC   _H38    75     1.09242   110.09785    64.24347
   76    74 S   HC   _H39    76     1.09324   110.22893   -55.81787
   77    74 S   HC   _H40    77     1.09361   110.19590  -175.79896
  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   7   5   4   3
  10   5   4   2   1   1  12   6  12   8   2   8   4  10   6   3
  14   8   5   3  14   6   5  11   5   4   3   2  14   7   1   1
   9   6   5   6   4   3   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    47    59    63    64    42    43    46    49  
   41    44    63    42    43    46  
   44    45    47    48    51    59    60    63    64    42    43    46  
   43    46    49    50    53    56    44    63  
   46    49  
   45    47    48    51    52    59    63    64  
   47    48    51    63  
   49    50    53    54    55    61    71    56    57    58  
   48    51    52    59    60    63  
   51    52    59  
   50    53    54    55    61    62    65    68    71    72    56    57    58    73  
   53    54    55    61    71    56    57    58  
   52    59    60    63    64  
   59    60    63  
   54    55    61    62    65    66    67    68    71    56    57    58    73    74  
   55    61    62    65    56    73  
   61    62    65    56    73  
   57    58    73    74    61    65    68    69    70    71    72  
   58    73    68    71    72  
   73    68    71    72  
   60    63    64  
   63    64  
   62    65    66    67    68    69    70    71    72    73    74    75    76    77  
   65    66    67    68    71    73    74  
   64  
    0  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.522
   41    44   469.000  1.400
   41    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    73   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    56   268.000  1.529
   71    73   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   73    74   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  120.00000
   39    41    63    70.00000  120.00000
   39    42    43    80.00000  120.40000
   39    42    46    81.00000  111.40000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  120.00000
   41    44    47    63.00000  120.00000
   41    63    59    63.00000  120.00000
   41    63    64    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    59    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    59    60    35.00000  120.00000
   51    59    63    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    63    64    35.00000  120.00000
   63    41    44    63.00000  120.00000
   63    59    60    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  110.93000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    53    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    71    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    65    58.35000  112.70000
   53    61    73    56.20000  109.47000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    73    71    51.80000  107.20000
   61    73    74    51.80000  107.20000
   65    61    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    56    58.35000  112.70000
   68    71    73    56.20000  109.47000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    56    57    37.50000  110.70000
   71    56    58    37.50000  110.70000
   71    73    74    51.80000  107.20000
   56    49    50    37.50000  110.70000
   56    49    53    58.35000  112.70000
   56    71    72    37.50000  110.70000
   58    56    57    33.00000  107.80000
   73    61    62    35.00000  109.50000
   73    61    65    56.20000  109.47000
   73    71    72    35.00000  109.50000
   73    71    56    56.20000  109.47000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.04150 -1.0 2.0
   33    39    41    63   0.04150 -1.0 2.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    46   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.43200  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.43200  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    41    44    45   3.62500 -1.0 2.0
   39    41    44    47   3.62500 -1.0 2.0
   39    41    63    59   3.62500 -1.0 2.0
   39    41    63    64   3.62500 -1.0 2.0
   39    42    46    49   1.63150  1.0 1.0
   39    42    46    49   2.92000 -1.0 2.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    41    63   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46   0.00000  1.0 1.0
   41    39    42    43   0.30150 -1.0 2.0
   41    39    42    46   0.40000  1.0 3.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   44    41    63    59   3.62500 -1.0 2.0
   44    41    63    64   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47   -51    59   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    59    63   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    59   3.62500 -1.0 2.0
   51    59   -63    41   3.62500 -1.0 2.0
   51    59    63    64   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    63   3.62500 -1.0 2.0
   60    59    63    41   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   63    41    44    45   3.62500 -1.0 2.0
   63    41   -44    47   3.62500 -1.0 2.0
   42    39    41    44   0.04300 -1.0 2.0
   42    39    41    63   0.04300 -1.0 2.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    53  -0.25900  1.0 1.0
   42    46    49    53  -0.47000 -1.0 2.0
   42    46    49    53   0.11750  1.0 3.0
   42    46    49    56  -0.25900  1.0 1.0
   42    46    49    56  -0.47000 -1.0 2.0
   42    46    49    56   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49    53    54   0.23400  1.0 3.0
   46    49    53    55   0.23400  1.0 3.0
   46    49    53    61   0.62750  1.0 1.0
   46    49    53    61  -0.30950 -1.0 2.0
   46    49    53    61   0.27300  1.0 3.0
   46    49    56    71   0.62750  1.0 1.0
   46    49    56    71  -0.30950 -1.0 2.0
   46    49    56    71   0.27300  1.0 3.0
   46    49    56    57   0.23400  1.0 3.0
   46    49    56    58   0.23400  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    65   0.56750  1.0 1.0
   49    53    61    65  -0.07550 -1.0 2.0
   49    53    61    65   0.20000  1.0 3.0
   49    53    61    73   1.53400  1.0 1.0
   49    53    61    73  -0.09950 -1.0 2.0
   49    53    61    73   0.05700  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    71   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   53    49    56    71   0.56750  1.0 1.0
   53    49    56    71  -0.07550 -1.0 2.0
   53    49    56    71   0.20000  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    61    65    66   0.15000  1.0 3.0
   53    61    65    67   0.15000  1.0 3.0
   53    61    65    68   0.56750  1.0 1.0
   53    61    65    68  -0.07550 -1.0 2.0
   53    61    65    68   0.20000  1.0 3.0
   53    61   -73    71   0.23450  1.0 1.0
   53    61   -73    71   0.02050 -1.0 2.0
   53    61   -73    71   0.25250  1.0 3.0
   53    61    73    74   0.58650  1.0 1.0
   53    61    73    74   0.12600 -1.0 2.0
   53    61    73    74   0.33350  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    65   0.15000  1.0 3.0
   54    53    61    73   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    65   0.15000  1.0 3.0
   55    53    61    73   0.15000  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    70   0.15000  1.0 3.0
   61    65   -68    71   0.56750  1.0 1.0
   61    65   -68    71  -0.07550 -1.0 2.0
   61    65   -68    71   0.20000  1.0 3.0
   61    73    74    75   0.28000  1.0 3.0
   61    73    74    76   0.28000  1.0 3.0
   61    73    74    77   0.28000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    73    71   0.28000  1.0 3.0
   62    61    73    74   0.28000  1.0 3.0
   65    61   -73    71   0.23450  1.0 1.0
   65    61   -73    71   0.02050 -1.0 2.0
   65    61   -73    71   0.25250  1.0 3.0
   65    61    73    74   0.58650  1.0 1.0
   65    61    73    74   0.12600 -1.0 2.0
   65    61    73    74   0.33350  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    56   0.56750  1.0 1.0
   65    68    71    56  -0.07550 -1.0 2.0
   65    68    71    56   0.20000  1.0 3.0
   65    68   -71    73   1.53400  1.0 1.0
   65    68   -71    73  -0.09950 -1.0 2.0
   65    68   -71    73   0.05700  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    56    49   0.56750  1.0 1.0
   68    71    56    49  -0.07550 -1.0 2.0
   68    71    56    49   0.20000  1.0 3.0
   68    71    56    57   0.15000  1.0 3.0
   68    71    56    58   0.15000  1.0 3.0
   68    71   -73    61   0.23450  1.0 1.0
   68    71   -73    61   0.02050 -1.0 2.0
   68    71   -73    61   0.25250  1.0 3.0
   68    71    73    74   0.58650  1.0 1.0
   68    71    73    74   0.12600 -1.0 2.0
   68    71    73    74   0.33350  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    56   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    56   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   71    73    74    75   0.28000  1.0 3.0
   71    73    74    76   0.28000  1.0 3.0
   71    73    74    77   0.28000  1.0 3.0
   72    71    56    49   0.15000  1.0 3.0
   72    71    56    57   0.15000  1.0 3.0
   72    71    56    58   0.15000  1.0 3.0
   72    71    73    61   0.28000  1.0 3.0
   72    71    73    74   0.28000  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    61   0.56750  1.0 1.0
   56    49    53    61  -0.07550 -1.0 2.0
   56    49    53    61   0.20000  1.0 3.0
   56    71   -73    61   0.23450  1.0 1.0
   56    71   -73    61   0.02050 -1.0 2.0
   56    71   -73    61   0.25250  1.0 3.0
   56    71    73    74   0.58650  1.0 1.0
   56    71    73    74   0.12600 -1.0 2.0
   56    71    73    74   0.33350  1.0 3.0
   73    61    65    66   0.15000  1.0 3.0
   73    61    65    67   0.15000  1.0 3.0
   73    61   -65    68   1.53400  1.0 1.0
   73    61   -65    68  -0.09950 -1.0 2.0
   73    61   -65    68   0.05700  1.0 3.0
   73    71   -56    49   1.53400  1.0 1.0
   73    71   -56    49  -0.09950 -1.0 2.0
   73    71   -56    49   0.05700  1.0 3.0
   73    71    56    57   0.15000  1.0 3.0
   73    71    56    58   0.15000  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
   38    30    36    37  10.50000 -1.0 2.0
   44    63    41    39   4.00000 -1.0 2.0
   47    45    44    41   1.10000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   59    52    51    47   1.10000 -1.0 2.0
   63    60    59    51   1.10000 -1.0 2.0
   59    64    63    41   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
END
