* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    249     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072   106.02803    -3.39004
    3     1 S   H    _H1_     3     1.02087    49.63192    97.78938
    4     1 S   H    _H2_     4     1.02086    62.71819  -106.49603
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C22    36     1.84942    97.36941   161.83793
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.54117   108.50112   -79.99405
   38    37 S   HC   _H36    38     1.10546   110.38234    44.15726
   39    33 S   CT   _C20    68     1.54638   111.43656   156.78284
   40    39 S   HC   _H38    69     1.10620   109.19591  -172.13481
   41    33 S   OH   _O29    80     1.43080   108.35346    38.40189
   42    41 S   HO   _H47    81     0.96899   106.37920  -178.00022
   43    37 S   CO4  _C15    39     1.52323   111.07643   -73.20001
   44    43 S   O    _O22    40     1.23184   120.63909   133.35873
   45    39 S   OH   _O27    70     1.43083   110.05857   -55.05195
   46    45 S   HO   _H45    71     0.96764   106.10904    64.80797
   47    37 S   CO4  _C16    74     1.50410   112.32683   161.45426
   48    47 S   O    _O23    75     1.23051   121.60001    29.70816
   49    43 S   CT   _C21    41     1.52981   117.26193   -49.98974
   50    47 S   CT   _C23    76     1.50486   116.72982  -150.27026
   51    50 S   HC   _H39    77     1.09398   109.63664    90.07897
   52    50 S   HC   _H40    78     1.09166   109.62994   -29.45519
   53    50 S   HC   _H41    79     1.09309   109.57603  -150.54176
   54    49 S   CO4  _C14    42     1.52293   112.42017   -78.59730
   55    54 S   O    _O21    43     1.22901   121.52707   -33.65134
   56    49 S   OH   _O28    72     1.42678   107.43745   169.93079
   57    56 S   HO   _H46    73     0.96899   106.49340    58.39786
   58    54 S   CA   _C9_    44     1.48629   118.92995   148.75812
   59    58 S   CA   _C10    45     1.39768   120.36880     2.85835
   60    58 S   CA   _C13    56     1.40130   119.27238  -177.05569
   61    59 S   CA   _C4_    46     1.40303   119.00441   178.89819
   62    61 S   HA   _H31    47     1.08942   119.10362  -178.80777
   63    60 S   OH   _O26    57     1.36799   119.67723     0.21122
   64    63 S   HO   _H44    58     0.96867   109.86622     0.23070
   65    59 S   CT   _C17    63     1.50276   121.52527     1.34814
   66    65 S   HC   _H34    64     1.10155   109.70843    91.32955
   67    65 S   HC   _H35    65     1.09733   106.90340  -152.94242
   68    61 S   CA   _C7_    48     1.40452   121.33830     1.15843
   69    49 S   CT   _C19    66     1.53594   110.69605    49.91160
   70    69 S   HC   _H37    67     1.10074   107.04513    66.43620
   71    68 S   CA   _C5_    49     1.40480   121.41933   179.50742
   72    71 S   HA   _H32    50     1.08852   120.21829     0.16193
   73    71 S   CA   _C11    51     1.39541   120.72368  -179.97202
   74    73 S   CA   _C6_    52     1.39144   119.95413     0.04846
   75    74 S   HA   _H33    53     1.08817   119.85781   179.89913
   76    73 S   OH   _O24    61     1.36070   119.98180  -179.95154
   77    76 S   HO   _H42    62     0.96970   110.27887    -0.01978
   78    74 S   CA   _C12    54     1.39467   120.06036    -0.04846
   79    68 S   CA   _C8_    55     1.41207   119.27771    -0.44631
   80    78 S   OH   _O25    59     1.36590   116.16162   180.00000
   81    80 S   HO   _H43    60     0.96791   109.97750     0.02798
  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  11   5   4   3
  17   2   1   1  18   8  16   7   5   1  13   5   5   1   6   4
  12   3   2   1   1  12   5   5   1  13  12  10  11   4   4   1
   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    69    39    40    45    47    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    65    69    70    39    40    45    46    47    48    50    41    42  
   35    36  
   36  
    0  
   38    43    44    49    54    69    39    40    45    56    47    48    50    51    52    53    41    42  
   43    44    49    39    47    48    50    41  
   40    45    46    56    47    41    42    43    49    54    59    65    66    67    69    70  
   45    46    41    49    65    69    70  
   42    43    45    47    69  
    0  
   44    49    54    55    58    65    69    70    56    57    47    48    50  
   49    54    69    56    47  
   46    49    65    69    70  
   69  
   48    50    51    52    53    49  
   50    51    52    53  
   54    55    58    59    60    65    66    67    69    70    56    57  
   51    52    53  
   52    53  
   53  
    0  
   55    58    59    61    79    60    63    65    69    70    56    57  
   58    59    60    69    56  
   57    58    65    69    70  
   69  
   59    61    62    68    78    79    60    63    64    65    66    67    69  
   61    62    68    71    79    60    63    65    66    67    69    70  
   63    64    80    65    61    68    71    74    78    79  
   62    68    71    72    73    78    79    65    66    67    69  
   68    71    79    65  
   64    68    78    79  
   79  
   66    67    69    70    68  
   67    69    70  
   69    70  
   71    72    73    74    78    79    80    76  
   70  
    0  
   72    73    74    75    78    79    76    77  
   73    74    79    76  
   74    75    78    79    80    76    77  
   75    78    79    80    81    76    77  
   78    79    80    76  
   77    78  
    0  
   79    80    81  
   80    81  
   81  
    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   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   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    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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    47   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    54   317.000  1.522
   49    69   268.000  1.529
   49    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    65   317.000  1.510
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    71   469.000  1.400
   68    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   469.000  1.400
   78    80   450.000  1.364
   79    60   469.000  1.400
   60    63   450.000  1.364
   63    64   553.000  0.945
   80    81   553.000  0.945
   76    77   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    39   268.000  1.529
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   56    57   553.000  0.945
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   41    42   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    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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    47    63.00000  111.10000
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   37    47    48    80.00000  120.40000
   37    47    50    70.00000  116.00000
   43    37    38    35.00000  109.50000
   43    49    54    75.00000  107.99600
   43    49    69    63.00000  111.10000
   43    49    56    90.00000  109.61100
   49    43    44    80.00000  120.40000
   49    54    55    80.00000  120.40000
   49    54    58    65.00000  115.47100
   49    69    65    58.35000  112.70000
   49    69    70    37.50000  110.70000
   49    69    39    58.35000  112.70000
   49    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    65    70.00000  120.00000
   58    60    79    63.00000  120.00000
   58    60    63    70.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    68    63.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    69    70.00000  112.17500
   61    68    71    63.00000  120.00000
   61    68    79    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    73    63.00000  120.00000
   68    79    78    63.00000  120.00000
   68    79    60    63.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    76    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    35.00000  113.00000
   74    78    79    63.00000  120.00000
   74    78    80    70.00000  120.00000
   78    74    75    35.00000  120.00000
   78    79    60    63.00000  120.00000
   78    80    81    35.00000  113.00000
   79    68    71    63.00000  120.00000
   79    60    63    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    63    64    35.00000  113.00000
   80    78    79    70.00000  120.00000
   76    73    74    70.00000  120.00000
   65    59    61    70.00000  120.00000
   65    69    70    37.50000  110.70000
   65    69    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    49    54    63.00000  111.10000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    39    40    37.50000  110.70000
   69    39    45    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   56    49    54    90.00000  109.61100
   56    49    69    50.00000  109.50000
   47    37    38    35.00000  109.50000
   47    37    43    75.00000  107.99600
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   50    47    48    80.00000  120.40000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   41    33    37    50.00000  109.50000
   41    33    39    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    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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    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    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    50   0.60050  1.0 1.0
   33    37    47    50   0.05600 -1.0 2.0
   33    37    47    50   0.26150  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    45   0.86500  1.0 1.0
   37    33    39    45  -0.17500 -1.0 2.0
   37    33    39    45   0.20800  1.0 3.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    43    49    54   0.65300  1.0 1.0
   37    43    49    54  -0.03850 -1.0 2.0
   37    43    49    54   0.33900  1.0 3.0
   37    43   -49    69   0.60050  1.0 1.0
   37    43   -49    69   0.05600 -1.0 2.0
   37    43   -49    69   0.26150  1.0 3.0
   37    43    49    56   0.55300  1.0 1.0
   37    43    49    56   1.25850 -1.0 2.0
   37    43    49    56  -0.23600  1.0 3.0
   37    47    50    51   0.00000  1.0 1.0
   37    47    50    52   0.00000  1.0 1.0
   37    47    50    53   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    50   0.00000  1.0 1.0
   43    37    47    48   0.30150 -1.0 2.0
   43    37    47    50   0.65300  1.0 1.0
   43    37    47    50  -0.03850 -1.0 2.0
   43    37    47    50   0.33900  1.0 3.0
   43    49    54    55   0.30150 -1.0 2.0
   43    49    54    58   0.65300  1.0 1.0
   43    49    54    58  -0.03850 -1.0 2.0
   43    49    54    58   0.33900  1.0 3.0
   43    49    69    65  -0.95700  1.0 1.0
   43    49    69    65  -0.18200 -1.0 2.0
   43    49    69    65   0.29450  1.0 3.0
   43    49    69    70  -0.11250  1.0 3.0
   43    49    69    39  -0.95700  1.0 1.0
   43    49    69    39  -0.18200 -1.0 2.0
   43    49    69    39   0.29450  1.0 3.0
   43    49    56    57   0.91850  1.0 1.0
   43    49    56    57   0.57950  1.0 3.0
   44    43    49    54   0.30150 -1.0 2.0
   44    43    49    69   0.30150 -1.0 2.0
   44    43    49    56   0.30150 -1.0 2.0
   49    54    58    59   2.26350  1.0 1.0
   49    54    58    59   0.76750 -1.0 2.0
   49    54    58    59   0.22500  1.0 3.0
   49    54    58    60   2.26350  1.0 1.0
   49    54    58    60   0.76750 -1.0 2.0
   49    54    58    60   0.22500  1.0 3.0
   49    69   -39    33   0.56750  1.0 1.0
   49    69   -39    33  -0.07550 -1.0 2.0
   49    69   -39    33   0.20000  1.0 3.0
   49    69    39    40   0.15000  1.0 3.0
   49    69    39    45   0.86500  1.0 1.0
   49    69    39    45  -0.17500 -1.0 2.0
   49    69    39    45   0.20800  1.0 3.0
   54    49    69    65  -0.95700  1.0 1.0
   54    49    69    65  -0.18200 -1.0 2.0
   54    49    69    65   0.29450  1.0 3.0
   54    49    69    70  -0.11250  1.0 3.0
   54    49    69    39  -0.95700  1.0 1.0
   54    49    69    39  -0.18200 -1.0 2.0
   54    49    69    39   0.29450  1.0 3.0
   54    49    56    57   0.91850  1.0 1.0
   54    49    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    65   3.62500 -1.0 2.0
   54    58    60    79   3.62500 -1.0 2.0
   54    58    60    63   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    65    66   0.00000  1.0 1.0
   58    59    65    67   0.00000  1.0 1.0
   58    59    65    69   0.04150 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    79   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   59    61    68    71   3.62500 -1.0 2.0
   59    61   -68    79   3.62500 -1.0 2.0
   59    65   -69    49  -0.03700  1.0 1.0
   59    65   -69    49   0.37200 -1.0 2.0
   59    65   -69    49  -0.47300  1.0 3.0
   59    65    69    70   0.43200  1.0 3.0
   59    65    69    39  -0.03700  1.0 1.0
   59    65    69    39   0.37200 -1.0 2.0
   59    65    69    39  -0.47300  1.0 3.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    67   0.00000  1.0 1.0
   61    59    65    69   0.04150 -1.0 2.0
   61    68    71    72   3.62500 -1.0 2.0
   61    68    71    73   3.62500 -1.0 2.0
   61    68    79    78   3.62500 -1.0 2.0
   61    68    79    60   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   62    61    68    79   3.62500 -1.0 2.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71    73    76   3.62500 -1.0 2.0
   68    79   -60    58   3.62500 -1.0 2.0
   68    79    60    63   3.62500 -1.0 2.0
   71    68    79    78   3.62500 -1.0 2.0
   71    68    79    60   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73   -74    78   3.62500 -1.0 2.0
   71    73    76    77   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    76   3.62500 -1.0 2.0
   73    74    78    79   3.62500 -1.0 2.0
   73    74    78    80   3.62500 -1.0 2.0
   74    73    76    77   0.84100 -1.0 2.0
   74    78   -79    68   3.62500 -1.0 2.0
   74    78    79    60   3.62500 -1.0 2.0
   74    78    80    81   0.84100 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    80   3.62500 -1.0 2.0
   78    79    60    58   3.62500 -1.0 2.0
   78    79    60    63   3.62500 -1.0 2.0
   79    68    71    72   3.62500 -1.0 2.0
   79    68   -71    73   3.62500 -1.0 2.0
   79    78    80    81   0.84100 -1.0 2.0
   79    60    63    64   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    65   3.62500 -1.0 2.0
   80    78    79    68   3.62500 -1.0 2.0
   80    78    79    60   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   3.62500 -1.0 2.0
   65    59    61    62   3.62500 -1.0 2.0
   65    59    61    68   3.62500 -1.0 2.0
   65    69    39    33   0.56750  1.0 1.0
   65    69    39    33  -0.07550 -1.0 2.0
   65    69    39    33   0.20000  1.0 3.0
   65    69    39    40   0.15000  1.0 3.0
   65    69    39    45   0.86500  1.0 1.0
   65    69    39    45  -0.17500 -1.0 2.0
   65    69    39    45   0.20800  1.0 3.0
   66    65    69    49   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    39   0.15000  1.0 3.0
   67    65    69    49   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    39   0.15000  1.0 3.0
   69    49    54    55   0.30150 -1.0 2.0
   69    49   -54    58   0.05850 -1.0 2.0
   69    49   -54    58   0.17250  1.0 3.0
   69    49    56    57  -0.11600  1.0 1.0
   69    49    56    57  -0.09450 -1.0 2.0
   69    49    56    57   0.21250  1.0 3.0
   69    39    45    46  -0.11600  1.0 1.0
   69    39    45    46  -0.09450 -1.0 2.0
   69    39    45    46   0.21250  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    40   0.15000  1.0 3.0
   70    69    39    45   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    43  -0.95700  1.0 1.0
   39    33   -37    43  -0.18200 -1.0 2.0
   39    33   -37    43   0.29450  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   56    49    54    55   0.30150 -1.0 2.0
   56    49    54    58   0.65300  1.0 1.0
   56    49    54    58  -0.03850 -1.0 2.0
   56    49    54    58   0.33900  1.0 3.0
   56    49    69    65   0.86500  1.0 1.0
   56    49    69    65  -0.17500 -1.0 2.0
   56    49    69    65   0.20800  1.0 3.0
   56    49    69    70   0.23400  1.0 3.0
   56    49    69    39   0.86500  1.0 1.0
   56    49    69    39  -0.17500 -1.0 2.0
   56    49    69    39   0.20800  1.0 3.0
   47    37    43    44   0.30150 -1.0 2.0
   47    37    43    49   0.65300  1.0 1.0
   47    37    43    49  -0.03850 -1.0 2.0
   47    37    43    49   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    53   0.00000  1.0 1.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    47  -0.09450  1.0 1.0
   41    33    37    47  -1.12950 -1.0 2.0
   41    33    37    47   0.54000  1.0 3.0
   41    33    39    69   0.86500  1.0 1.0
   41    33    39    69  -0.17500 -1.0 2.0
   41    33    39    69   0.20800  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    45   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
   36    30    34    35  10.50000 -1.0 2.0
   37    49    43    44  10.50000 -1.0 2.0
   49    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    65    59    58   4.00000 -1.0 2.0
   68    62    61    59   1.10000 -1.0 2.0
   71    79    68    61   4.00000 -1.0 2.0
   73    72    71    68   1.10000 -1.0 2.0
   74    76    73    71   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   78    60    79    68   4.00000 -1.0 2.0
   79    63    60    58   4.00000 -1.0 2.0
   37    50    47    48  10.50000 -1.0 2.0
END
