* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    135    206     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046    88.19531   -71.97582
    3     1 S   H    _H1_     3     1.02114    92.26589    36.66051
    4     1 S   H    _H2_     4     1.02097    32.98920   158.51943
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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   _C15    36     1.83125    97.86996   161.85576
   34    33 S   HC   _H3_    37     1.09627   104.50547    42.91132
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C7_    38     1.51758   112.01693   159.99804
   39    33 S   CM   _C10    54     1.51509   108.73734   -74.21433
   40    39 S   HC   _H32    55     1.09185   115.42524   -36.29507
   41    38 S   CA   _C4_    39     1.39510   119.96255  -114.73754
   42    41 S   HA   _H29    40     1.08593   120.56072    -0.01978
   43    39 S   CMA  _C11    56     1.35667   126.98088   143.74090
   44    43 S   OM   _O17    57     1.26939   125.70782     0.00000
   45    41 S   CA   _C5_    41     1.39567   119.97303   179.90721
   46    45 S   HA   _H30    42     1.08598   119.61071   179.94766
   47    43 S   OS   _O27    58     1.42694   109.57577   179.70459
   48    45 S   CA   _C8_    43     1.39503   119.99250    -0.01978
   49    47 S   CT   _C17    59     1.41887   116.00957   150.02093
   50    49 S   HC   _H38    60     1.09702   107.16680    39.94059
   51    48 S   CA   _C9_    44     1.39551   119.98122     0.01978
   52    48 S   OH   _O20    52     1.36200   119.44115  -179.95577
   53    52 S   HO   _H41    53     0.97051   110.19886    -0.04423
   54    49 S   C    _C13    61     1.51619   108.13723   155.61337
   55    54 S   O    _O19    62     1.22280   125.39342     4.54523
   56    49 S   CT   _C19    65     1.53541   109.58498   -79.66376
   57    56 S   HC   _H40    66     1.09637   109.37796    58.69451
   58    38 S   CA   _C6_    45     1.39503   120.00286    65.15294
   59    58 S   HA   _H31    46     1.08737   120.13835     0.04846
   60    51 S   OS   _O26    47     1.36233   120.49066   179.97202
   61    54 S   OH   _O22    63     1.35735   111.07015  -173.84098
   62    61 S   HO   _H43    64     0.98060   111.89985   178.45174
   63    56 S   CT   _C18    67     1.54111   116.57792   -65.79280
   64    63 S   HC   _H39    68     1.09779   109.23240   -50.44268
   65    56 S   OH   _O25    79     1.43511   107.12843   172.92754
   66    65 S   HO   _H46    80     0.96703   105.98294   -60.03581
   67    60 S   CT   _C14    48     1.42661   117.01278  -180.00000
   68    67 S   HC   _H33    49     1.09265   109.54464   179.97202
   69    67 S   HC   _H34    50     1.09336   109.51801    59.23327
   70    67 S   HC   _H35    51     1.09171   108.97796   -60.36295
   71    63 S   CT   _C16    69     1.53439   117.01114  -175.43589
   72    71 S   HC   _H37    70     1.09160   112.82089    58.27861
   73    63 S   OH   _O24    77     1.43667   106.78312    62.54161
   74    73 S   HO   _H45    78     0.96618   105.86532  -172.90732
   75    71 S   C    _C12    71     1.51844   113.68991  -175.05074
   76    75 S   O    _O18    72     1.22509   124.59953   112.04172
   77    71 S   OH   _O23    75     1.43014   107.07351   -58.35223
   78    77 S   HO   _H44    76     0.96915   106.28620   -61.67011
   79    75 S   OH   _O21    73     1.35564   112.71749   -68.57952
   80    79 S   HO   _H42    74     0.98012   115.19624  -179.38738
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   9   7
  13   7   9   3   1   7   3  12   6   3   1   4   1   1  12   7
   3   1   3   2   1   1   9   6   3   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    58    59    60    39    40    43  
   40    43    44    47    49    41    58  
   43    44    47  
   42    45    46    48    51    58    59    52  
   45    46    48    58  
   44    47    49    50    54    56  
   47    49  
   46    48    51    58    60    52    53  
   48    51    52  
   49    50    54    55    61    56    57    63    65  
   51    58    59    60    67    52    53  
   50    54    55    61    62    56    57    63    64    71    73    65    66  
   54    55    61    56    57    63    65  
   58    59    60    67    68    69    70    52    53  
   53    58    60  
    0  
   55    61    62    56    57    63    65  
   61    62    56  
   57    63    64    71    72    75    77    73    74    65    66    61  
   63    64    71    73    65    66  
   59    60    67  
   60  
   67    68    69    70  
   62  
    0  
   64    71    72    75    76    79    77    78    73    74    65    66  
   71    72    75    77    73    74    65  
   66    71    73  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    75    76    79    80    77    78    73    74  
   75    76    79    77    78    73  
   74    75    77  
    0  
   76    79    80    77    78  
   79    80    77  
   78    79  
    0  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    58   469.000  1.400
   51    60   450.000  1.364
   58    59   367.000  1.080
   60    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    56   268.000  1.529
   54    55   570.000  1.229
   54    61   450.000  1.364
   61    62   553.000  0.945
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   320.000  1.410
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    73   320.000  1.410
   71    72   340.000  1.090
   71    75   317.000  1.522
   71    77   320.000  1.410
   75    76   570.000  1.229
   75    79   450.000  1.364
   79    80   553.000  0.945
   77    78   553.000  0.945
   73    74   553.000  0.945
   65    66   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    58    63.00000  120.00000
   48    51    60    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    58    59    35.00000  120.00000
   51    60    67    75.00000  111.00000
   58    38    41    63.00000  120.00000
   60    51    58    70.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    90.00000  108.55600
   47    49    56    50.00000  109.50000
   49    54    55    80.00000  120.40000
   49    54    61    70.00000  108.00000
   49    56    57    37.50000  110.70000
   49    56    63    58.35000  112.70000
   49    56    65    50.00000  109.50000
   54    49    50    35.00000  109.50000
   54    61    62    35.00000  113.00000
   61    54    55   100.00000  123.32000
   56    49    50    37.50000  110.70000
   56    49    54    63.00000  111.10000
   56    63    64    37.50000  110.70000
   56    63    71    58.35000  112.70000
   56    63    73    50.00000  109.50000
   56    65    66    55.00000  108.50000
   63    56    57    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    75    63.00000  111.10000
   63    71    77    50.00000  109.50000
   63    73    74    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    75    76    80.00000  120.40000
   71    75    79    70.00000  108.00000
   71    77    78    55.00000  108.50000
   75    71    72    35.00000  109.50000
   75    79    80    35.00000  113.00000
   79    75    76   100.00000  123.32000
   77    71    72    35.00000  109.50000
   77    71    75    95.00000  109.52300
   73    63    64    35.00000  109.50000
   73    63    71    50.00000  109.50000
   65    56    57    35.00000  109.50000
   65    56    63    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    51   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -58    38   3.62500 -1.0 2.0
   48    51    58    59   3.62500 -1.0 2.0
   48    51    60    67   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    60    67    68   0.08050  1.0 3.0
   51    60    67    69   0.08050  1.0 3.0
   51    60    67    70   0.08050  1.0 3.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   58    51    60    67   1.63200 -1.0 2.0
   60    51    58    38   3.62500 -1.0 2.0
   60    51    58    59   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   52    48    51    60   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    56  -0.46850  1.0 1.0
   43    47    49    56   0.09300 -1.0 2.0
   43    47    49    56  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    61   0.40000  1.0 3.0
   47    49    56    57   0.23400  1.0 3.0
   47    49    56    63   0.62750  1.0 1.0
   47    49    56    63  -0.30950 -1.0 2.0
   47    49    56    63   0.27300  1.0 3.0
   47    49    56    65   3.69350  1.0 1.0
   47    49    56    65  -1.82950 -1.0 2.0
   49    54    61    62   1.50000  1.0 1.0
   49    54    61    62   2.45000 -1.0 2.0
   49    56    63    64   0.15000  1.0 3.0
   49    56    63    71   0.56750  1.0 1.0
   49    56    63    71  -0.07550 -1.0 2.0
   49    56    63    71   0.20000  1.0 3.0
   49    56    63    73   0.86500  1.0 1.0
   49    56    63    73  -0.17500 -1.0 2.0
   49    56    63    73   0.20800  1.0 3.0
   49    56    65    66  -0.11600  1.0 1.0
   49    56    65    66  -0.09450 -1.0 2.0
   49    56    65    66   0.21250  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    61   0.00000  1.0 1.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    63   0.15000  1.0 3.0
   50    49    56    65   0.23400  1.0 3.0
   54    49    56    57  -0.11250  1.0 3.0
   54    49    56    63  -0.95700  1.0 1.0
   54    49    56    63  -0.18200 -1.0 2.0
   54    49    56    63   0.29450  1.0 3.0
   54    49    56    65  -0.09450  1.0 1.0
   54    49    56    65  -1.12950 -1.0 2.0
   54    49    56    65   0.54000  1.0 3.0
   55    54    61    62   0.92200  1.0 1.0
   55    54    61    62   3.74100 -1.0 2.0
   56    49    54    55   0.30150 -1.0 2.0
   56    49    54    61   0.50000  1.0 1.0
   56    49    54    61   0.27300 -1.0 2.0
   56    49    54    61   0.22500  1.0 3.0
   56    63    71    72   0.15000  1.0 3.0
   56    63    71    75  -0.95700  1.0 1.0
   56    63    71    75  -0.18200 -1.0 2.0
   56    63    71    75   0.29450  1.0 3.0
   56    63    71    77   0.86500  1.0 1.0
   56    63    71    77  -0.17500 -1.0 2.0
   56    63    71    77   0.20800  1.0 3.0
   56    63    73    74  -0.11600  1.0 1.0
   56    63    73    74  -0.09450 -1.0 2.0
   56    63    73    74   0.21250  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    71   0.15000  1.0 3.0
   57    56    63    73   0.23400  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   63    56    65    66  -0.11600  1.0 1.0
   63    56    65    66  -0.09450 -1.0 2.0
   63    56    65    66   0.21250  1.0 3.0
   63    71    75    76   0.30150 -1.0 2.0
   63    71    75    79   0.50000  1.0 1.0
   63    71    75    79   0.27300 -1.0 2.0
   63    71    75    79   0.22500  1.0 3.0
   63    71    77    78  -0.11600  1.0 1.0
   63    71    77    78  -0.09450 -1.0 2.0
   63    71    77    78   0.21250  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    75  -0.11250  1.0 3.0
   64    63    71    77   0.23400  1.0 3.0
   64    63    73    74   0.19450  1.0 3.0
   71    63    73    74  -0.11600  1.0 1.0
   71    63    73    74  -0.09450 -1.0 2.0
   71    63    73    74   0.21250  1.0 3.0
   71    75    79    80   1.50000  1.0 1.0
   71    75    79    80   2.45000 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    79   0.00000  1.0 1.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.91850  1.0 1.0
   75    71    77    78   0.57950  1.0 3.0
   76    75    79    80   0.92200  1.0 1.0
   76    75    79    80   3.74100 -1.0 2.0
   77    71    75    76   0.30150 -1.0 2.0
   77    71    75    79   2.24650  1.0 1.0
   77    71    75    79   0.70300 -1.0 2.0
   77    71    75    79   0.26850  1.0 3.0
   73    63    71    72   0.23400  1.0 3.0
   73    63    71    75  -0.09450  1.0 1.0
   73    63    71    75  -1.12950 -1.0 2.0
   73    63    71    75   0.54000  1.0 3.0
   73    63    71    77   3.75450  1.0 1.0
   65    56    63    64   0.23400  1.0 3.0
   65    56    63    71   0.86500  1.0 1.0
   65    56    63    71  -0.17500 -1.0 2.0
   65    56    63    71   0.20800  1.0 3.0
   65    56    63    73   3.75450  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   58    60    51    48   4.00000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   49    61    54    55  10.50000 -1.0 2.0
   71    79    75    76  10.50000 -1.0 2.0
END
