* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    148    244     437
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   106.64366   -14.19543
    3     1 S   H    _H1_     3     1.02122    55.98201    87.47751
    4     1 S   H    _H2_     4     1.02166    56.15084  -115.84133
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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     1.86684    96.52240   161.86858
   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   CA   _C12    37     1.52980   111.47728   -60.01437
   38    33 S   CO4  _C16    69     1.53864   105.96505   179.96044
   39    38 S   O    _O23    70     1.23007   122.45326    92.44270
   40    37 S   CA   _C11    38     1.40572   119.24385   143.21055
   41    40 S   CA   _C7_    39     1.40787   119.79445   178.64578
   42    41 S   HA   _H33    40     1.08834   119.60294   179.94405
   43    40 S   CO   _C19    51     1.50809   121.85833     0.17583
   44    43 S   HC   _H35    52     1.09891   106.24347   122.72435
   45    41 S   CA   _C13    41     1.39201   121.05993    -0.69041
   46    43 S   NT   _N22    53     1.46973   117.49440     2.85321
   47    45 S   CA   _C8_    42     1.38728   119.52418    -0.74362
   48    47 S   HA   _H34    43     1.08793   120.05329  -178.32112
   49    45 S   CT   _C23    47     1.49087   120.16677  -179.86294
   50    49 S   HC   _H38    48     1.09696   110.41986    89.97386
   51    49 S   HC   _H39    49     1.09775   111.29349  -149.48178
   52    49 S   HC   _H40    50     1.09821   111.31074   -30.51260
   53    33 S   CT1  _C20    54     1.55217   106.85017    60.61006
   54    53 S   HC   _H36    55     1.10066   109.79991   -53.59834
   55    46 S   CT1  _C21    71     1.47579   102.25516  -152.92998
   56    55 S   HC   _H37    72     1.09417   113.44216   140.06452
   57    37 S   CA   _C15    44     1.41010   122.51555   -40.49589
   58    53 S   CO4  _C17    56     1.52618   109.90584    65.30679
   59    58 S   O    _O24    57     1.22748   122.27860  -134.50747
   60    55 S   CO4  _C18    73     1.50813   104.71310    22.47575
   61    60 S   O    _O25    74     1.22115   125.69807   169.84530
   62    55 S   CT   _C24    76     1.52305   110.47618   -96.51624
   63    62 S   HC   _H41    77     1.09059   110.00527    54.27937
   64    62 S   HC   _H42    78     1.09090   110.02015   -65.63903
   65    62 S   HC   _H43    79     1.08977   110.05453   174.35160
   66    57 S   OH   _O28    45     1.36620   122.67931    -2.36712
   67    66 S   HO   _H45    46     0.96873   110.00023  -176.51485
   68    58 S   CA   _C10    58     1.47665   117.50933    46.56936
   69    43 S   OS   _O26    75     1.42733   109.52057  -122.15368
   70    68 S   CA   _C9_    59     1.39514   120.34229   -20.23003
   71    70 S   CA   _C5_    60     1.40007   119.48078   178.81799
   72    71 S   HA   _H31    61     1.08656   121.41046   179.83929
   73    71 S   CA   _C4_    62     1.39581   120.16327     0.45111
   74    73 S   HA   _H30    63     1.08569   119.96023   179.95154
   75    73 S   CA   _C6_    64     1.39378   120.12297     0.05595
   76    75 S   HA   _H32    65     1.08643   119.52999  -179.96044
   77    68 S   CA   _C14    66     1.39900   119.27671   159.41007
   78    77 S   OH   _O27    67     1.36260   122.62643    -0.54894
   79    78 S   HO   _H44    68     0.96969   110.18880     1.51025
  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
  18   2   1   1  19  13   4  14  13   4  13   5   8  14   8   3
   4   2   1   1  12   4   9   7   2   7   3   6   2   4   2   1
   1   1   1   9   1   7   6   3   5   3   4   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    46    53    54    58    70    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    57    66    43    46    53    54    58    59    68    70    71    38    39    55  
   35    36  
   36  
    0  
   40    41    42    45    47    48    57    66    67    43    44    46    53    54    58    70    38    39    69  
   39    40    46    53    54    57    58    68    70    71    72    73    77  
   53    68    70    71  
   41    42    45    47    57    66    49    43    44    46    53    55    60    69  
   42    45    47    48    57    49    50    51    52    43    44    46    69  
   45    47    49    43  
   44    46    53    54    58    55    56    60    61    69    62    45    57  
   46    53    55    60    69  
   47    48    57    66    49    50    51    52  
   53    54    58    59    68    55    56    60    61    69    62    63    64    65  
   48    57    66    67    49    50    51    52  
   57    66    49  
   50    51    52    57  
   51    52  
   52  
    0  
   54    58    59    68    70    77    55    56    60    69    62    57  
   58    59    68    55  
   56    60    61    69    62    63    64    65    58  
   60    61    69    62    63    64    65  
   66    67  
   59    68    70    71    75    77    78  
   68    70    77  
   61    69    62    63    64    65  
   69    62  
   63    64    65    69  
   64    65  
   65  
    0  
   67  
    0  
   70    71    72    73    75    76    77    78    79  
    0  
   71    72    73    74    75    77    78  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.3000   0.1700  -0.367500   1.9050   1.6860   0.051222218  -2.220205820
   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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   317.000  1.510
   33    53   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    57   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    66   450.000  1.364
   66    67   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   340.000  1.430
   43    69   320.000  1.380
   46    53   305.000  1.457
   46    55   305.000  1.457
   53    54   340.000  1.090
   53    58   255.000  1.522
   58    59   570.000  1.229
   58    68   310.000  1.470
   68    70   469.000  1.400
   68    77   469.000  1.400
   70    71   469.000  1.400
   70    38   310.000  1.470
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   38    39   570.000  1.229
   55    56   340.000  1.090
   55    60   255.000  1.522
   55    62   268.000  1.529
   60    61   570.000  1.229
   60    69   214.000  1.327
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    53    75.00000  108.68000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    53    46    80.00000  111.22000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  110.61500
   33    38    70    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    57    47    63.00000  120.00000
   37    57    66    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  112.33000
   40    43    69    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    57    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    57    66    70.00000  120.00000
   57    37    40    63.00000  120.00000
   57    47    48    35.00000  120.00000
   57    66    67    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    80.00000  111.82000
   43    46    55    80.00000  111.82000
   43    69    60    95.00000  111.08000
   46    43    44    50.00000  110.45300
   46    53    54    50.00000  109.55000
   46    53    58    75.00000  112.91400
   46    55    56    50.00000  109.55000
   46    55    60    75.00000  112.91400
   46    55    62    80.00000  111.22000
   53    33    37    63.00000  114.00000
   53    58    59    75.00000  123.42600
   53    58    68    60.00000  117.08000
   58    53    54    45.00000  110.09800
   58    68    70    60.00000  119.52600
   58    68    77    60.00000  119.52600
   68    58    59    75.00000  123.78400
   68    70    71    63.00000  120.00000
   68    70    38    60.00000  119.52600
   68    77    75    63.00000  120.00000
   68    77    78    70.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    38    39    75.00000  123.78400
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    68    70    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    63.00000  111.10000
   38    70    71    60.00000  119.52600
   55    46    53    51.80000  107.20000
   55    60    61    75.00000  123.42600
   55    60    69    90.00000  109.72300
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   60    55    56    45.00000  110.09800
   69    43    44    35.00000  109.50000
   69    43    46   100.00000  112.06800
   69    60    61    83.00000  123.40000
   62    55    56    37.50000  110.70000
   62    55    60    70.00000  110.61500
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    53    46   0.56750  1.0 1.0
   29    33    53    46  -0.07550 -1.0 2.0
   29    33    53    46   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58  -2.17200  1.0 1.0
   29    33    53    58  -0.85700 -1.0 2.0
   29    33    38    70   0.65300  1.0 1.0
   29    33    38    70  -0.03850 -1.0 2.0
   29    33    38    70   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    57    47   3.62500 -1.0 2.0
   33    37    57    66   3.62500 -1.0 2.0
   33    53    58    59   0.00000  1.0 1.0
   33    53    58    68   0.05850 -1.0 2.0
   33    53    58    68   0.17250  1.0 3.0
   37    33    53    46   0.83750  1.0 1.0
   37    33    53    46   0.32200 -1.0 2.0
   37    33    53    46   0.70600  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    58  -0.84850  1.0 1.0
   37    33    53    58  -0.22800 -1.0 2.0
   37    33    53    58   0.29250  1.0 3.0
   37    33    38    70   0.65300  1.0 1.0
   37    33    38    70  -0.03850 -1.0 2.0
   37    33    38    70   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.18550 -1.0 2.0
   37    40   -43    46   0.14000  1.0 3.0
   37    40    43    69   0.64500  1.0 1.0
   37    40    43    69   0.14800 -1.0 2.0
   37    40    43    69   0.20650  1.0 3.0
   37    57    66    67   0.84100 -1.0 2.0
   40    37    57    47   3.62500 -1.0 2.0
   40    37    57    66   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53   0.82600  1.0 1.0
   40    43    46    53  -0.32100 -1.0 2.0
   40    43    46    53   1.02000  1.0 3.0
   40    43    46    55   0.82600  1.0 1.0
   40    43    46    55  -0.32100 -1.0 2.0
   40    43    46    55   1.02000  1.0 3.0
   40    43    69    60  -0.43900 -1.0 2.0
   40    43    69    60   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18550 -1.0 2.0
   41    40    43    46   0.14000  1.0 3.0
   41    40    43    69   0.64500  1.0 1.0
   41    40    43    69   0.14800 -1.0 2.0
   41    40    43    69   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    57   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -57    37   3.62500 -1.0 2.0
   45    47    57    66   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    37   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    37   -40    41   3.62500 -1.0 2.0
   57    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    57   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   0.23450  1.0 1.0
   43    46   -53    33   0.02050 -1.0 2.0
   43    46   -53    33   0.25250  1.0 3.0
   43    46    53    54   0.10550  1.0 3.0
   43    46    53    58  -1.76800  1.0 1.0
   43    46    53    58   1.02600 -1.0 2.0
   43    46    53    58   0.19700  1.0 3.0
   43    46    55    56   0.10550  1.0 3.0
   43    46   -55    60  -1.76800  1.0 1.0
   43    46   -55    60   1.02600 -1.0 2.0
   43    46   -55    60   0.19700  1.0 3.0
   43    46    55    62   0.23450  1.0 1.0
   43    46    55    62   0.02050 -1.0 2.0
   43    46    55    62   0.25250  1.0 3.0
   44    43    46    53   0.28000  1.0 3.0
   44    43    46    55   0.28000  1.0 3.0
   44    43    69    60   0.08050  1.0 3.0
   46    43   -69    60  -0.24150  1.0 1.0
   46    43   -69    60  -0.46200 -1.0 2.0
   46    43   -69    60   0.11700  1.0 3.0
   46    53    58    59   0.30150 -1.0 2.0
   46    53    58    68   0.65300  1.0 1.0
   46    53    58    68  -0.03850 -1.0 2.0
   46    53    58    68   0.33900  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55   -60    69   0.40000  1.0 3.0
   46    55    62    63   0.15000  1.0 3.0
   46    55    62    64   0.15000  1.0 3.0
   46    55    62    65   0.15000  1.0 3.0
   53    33   -37    40   0.00000  1.0 1.0
   53    33    37    57   0.00000  1.0 1.0
   53    33    38    70   0.05850 -1.0 2.0
   53    33    38    70   0.17250  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    55    56   0.28000  1.0 3.0
   53    46    55    60  -1.76800  1.0 1.0
   53    46    55    60   1.02600 -1.0 2.0
   53    46    55    60   0.19700  1.0 3.0
   53    46    55    62   0.23450  1.0 1.0
   53    46    55    62   0.02050 -1.0 2.0
   53    46    55    62   0.25250  1.0 3.0
   53    58   -68    70   2.26350  1.0 1.0
   53    58   -68    70   0.76750 -1.0 2.0
   53    58   -68    70   0.22500  1.0 3.0
   53    58    68    77   2.26350  1.0 1.0
   53    58    68    77   0.76750 -1.0 2.0
   53    58    68    77   0.22500  1.0 3.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    68   0.00000  1.0 1.0
   58    68    70    71   3.62500 -1.0 2.0
   58    68    70    38   3.62500 -1.0 2.0
   58    68    77    75   3.62500 -1.0 2.0
   58    68    77    78   3.62500 -1.0 2.0
   59    58    68    70   1.05000 -1.0 2.0
   59    58    68    77   1.05000 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    73   3.62500 -1.0 2.0
   68    70   -38    33   2.26350  1.0 1.0
   68    70   -38    33   0.76750 -1.0 2.0
   68    70   -38    33   0.22500  1.0 3.0
   68    70    38    39   1.05000 -1.0 2.0
   68    77    78    79   0.84100 -1.0 2.0
   70    68    77    75   3.62500 -1.0 2.0
   70    68    77    78   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70    38    33   2.26350  1.0 1.0
   71    70    38    33   0.76750 -1.0 2.0
   71    70    38    33   0.22500  1.0 3.0
   71    70    38    39   1.05000 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    68   -70    71   3.62500 -1.0 2.0
   77    68    70    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    57   0.04300 -1.0 2.0
   38    33    53    46  -3.56550  1.0 1.0
   38    33    53    46  -0.67500 -1.0 2.0
   38    33    53    46   1.11300  1.0 3.0
   38    33    53    54  -0.03800  1.0 3.0
   38    33   -53    58  -0.84850  1.0 1.0
   38    33   -53    58  -0.22800 -1.0 2.0
   38    33   -53    58   0.29250  1.0 3.0
   38    70    71    72   3.62500 -1.0 2.0
   38    70    71    73   3.62500 -1.0 2.0
   55    46    53    33   0.23450  1.0 1.0
   55    46    53    33   0.02050 -1.0 2.0
   55    46    53    33   0.25250  1.0 3.0
   55    46    53    54   0.28000  1.0 3.0
   55    46    53    58  -1.76800  1.0 1.0
   55    46    53    58   1.02600 -1.0 2.0
   55    46    53    58   0.19700  1.0 3.0
   55    60   -69    43   1.63150  1.0 1.0
   55    60   -69    43   2.92000 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    69   0.00000  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   60    55    62    63  -0.03800  1.0 3.0
   60    55    62    64  -0.03800  1.0 3.0
   60    55    62    65  -0.03800  1.0 3.0
   61    60    69    43   3.00000 -1.0 2.0
   69    43    46    53   1.00600  1.0 1.0
   69    43    46    53  -1.41450 -1.0 2.0
   69    43    46    53   0.25150  1.0 3.0
   69    43   -46    55   1.00600  1.0 1.0
   69    43   -46    55  -1.41450 -1.0 2.0
   69    43   -46    55   0.25150  1.0 3.0
   62    55    60    61   0.00000  1.0 1.0
   62    55    60    69   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    57    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   57    48    47    45   1.10000 -1.0 2.0
   47    66    57    37   4.00000 -1.0 2.0
   53    68    58    59  10.50000 -1.0 2.0
   70    77    68    58   4.00000 -1.0 2.0
   71    38    70    68   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    68   4.00000 -1.0 2.0
   33    70    38    39  10.50000 -1.0 2.0
   55    69    60    61  10.50000 -1.0 2.0
END
