* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    161    275     482
    1     0 S   NP   _N1_     1    30.51075    92.76563   -16.59751
    2     1 S   H    _HN1     2     1.02776    85.78115   -26.41820
    3     1 S   H    _H1_     3     1.03194   137.78899    85.20345
    4     1 S   H    _H2_     4     1.02816    32.36368   107.18149
    5     1 S   CT   _CA1     5     1.49935    99.42564  -138.23141
    6     5 S   HC   _HA1     6     1.09563   105.16169    31.24155
    7     5 S   CO3  _C1_     7     1.53813   112.60353   -89.15630
    8     7 S   O2Z  _O11     8     1.26348   115.15277   -44.60007
    9     7 S   O2Z  _O12     9     1.26245   114.89392   134.68852
   10     5 S   CT   _CB1    10     1.53042   107.63533   149.50398
   11    10 S   HC   HB11    11     1.09838   109.89305   -45.57997
   12    10 S   HC   HB12    12     1.09770   110.40328    70.91649
   13    10 S   CT   _CG1    13     1.53037   112.42402  -166.44213
   14    13 S   HC   HG11    14     1.09537   111.35195   -58.44357
   15    13 S   HC   HG12    15     1.09591   110.72325    60.73063
   16    13 S   C    _CD1    16     1.51353   109.84338  -179.72305
   17    16 S   O    _OE1    17     1.22796   121.74248   -90.14731
   18    16 S   N    _N2_    18     1.38347   112.70774    87.80435
   19    18 S   H    _HN2    19     1.01568   119.10748     4.94411
   20    18 S   CT1  _CA2    20     1.46301   123.58296  -175.66650
   21    20 S   HC   _HA2    21     1.09725   109.51200     0.33279
   22    20 S   C    _C2_    22     1.53380   108.45471  -115.67969
   23    22 S   O    _O2_    23     1.23023   122.27746  -142.19467
   24    20 S   CT   _CB2    32     1.53440   110.84861   122.12458
   25    24 S   HC   HB21    33     1.09526   109.20128    58.07282
   26    24 S   HC   HB22    34     1.09461   110.56350   176.70022
   27    22 S   N    _N3_    24     1.38519   113.47820    44.89454
   28    27 S   H    _HN3    25     1.01492   119.05463     0.07913
   29    24 S   S    _SG2    35     1.83053   110.98898   -63.38664
   30    27 S   CT   _CA3    26     1.45432   123.24733   175.72488
   31    30 S   HC   HA31    27     1.09538   109.03804    28.20312
   32    30 S   HC   HA32    28     1.09493   107.16075   145.13149
   33    29 S   CT   _C18    36     1.84732   100.58007   152.09224
   34    33 S   HC   _H9_    37     1.09404   105.69891   -18.13161
   35    30 S   CO3  _C3_    29     1.52924   113.29311   -95.17044
   36    35 S   O2Z  _O31    30     1.26389   115.47590   -44.08213
   37    35 S   O2Z  _O32    31     1.26372   114.95083   136.93607
   38    33 S   CT   _C17    38     1.56256   114.79502    98.46521
   39    38 S   OM   _O33    39     1.32560   109.89882   -58.21469
   40    38 S   HC   _H8_    40     1.09365   106.61372    70.67426
   41    33 S   C4T  _C8_    67     1.56652   110.41174  -134.97633
   42    38 S   CT   _C16    41     1.55985   112.06103  -175.00139
   43    42 S   HC   _H23    42     1.09984   113.19820    99.44371
   44    42 S   HC   _H24    43     1.09707   110.23278  -141.88806
   45    41 S   C4T  _C5_    68     1.58934   113.83343    96.11418
   46    45 S   HC   _H3_    69     1.09715   112.80530  -118.10694
   47    48 S   C4T  _C7_    73     1.51116   111.67920   -39.07491
   48    42 S   NP   _N4_    44     1.50695   113.91188   -19.45747
   49    48 S   H    _H7_    45     1.02809   105.14365    79.21981
   50    45 S   C4T  _C6_    70     1.54459    88.90692   128.14793
   51    50 S   HC   _H13    71     1.09427   114.26364   103.03728
   52    50 S   HC   _H14    72     1.09506   113.99059  -135.56275
   53    45 S   CT   _C4_    74     1.52616   124.05142     9.03240
   54    53 S   HC   _H10    75     1.09265   112.83632    54.15120
   55    53 S   HC   _H11    76     1.09464   110.53773   -67.54243
   56    53 S   HC   _H12    77     1.09552   110.14387   173.99156
   57    48 S   CT   _C15    46     1.51721   115.04836  -164.57188
   58    57 S   HC   _H21    47     1.09564   106.95063   -45.88942
   59    57 S   HC   _H22    48     1.09438   107.06072  -160.42356
   60    57 S   CT   _C14    49     1.53037   114.12631    77.17840
   61    60 S   HC   _H19    50     1.09726   109.07538   -74.94393
   62    60 S   HC   _H20    51     1.09620   109.19436   169.56010
   63    60 S   CT   _C13    52     1.53242   113.85798    47.04271
   64    63 S   HC   _H17    53     1.09545   110.19727    69.13573
   65    63 S   HC   _H18    54     1.09581   109.36428  -173.15797
   66    63 S   CT   _C12    55     1.52134   107.73201   -52.83684
   67    66 S   HC   _H6_    56     1.09788   105.99033   -54.44057
   68    66 S   CT   _C11    57     1.53311   116.40036  -168.10856
   69    68 S   HC   _H5_    58     1.09506   111.05133    53.30745
   70    68 S   CT   _C10    59     1.51822   109.38722   176.12510
   71    70 S   HC   _H15    60     1.08805   114.45320   -48.62207
   72    70 S   HC   _H16    61     1.09869   109.85906  -169.39939
   73    70 S   CT   _C9_    62     1.51414    99.09730    75.44476
   74    73 S   HC   _H4_    63     1.09200   111.71128   157.95984
   75    73 S   CO4  _C19    64     1.52233    96.48310    46.22770
   76    75 S   O    _O35    65     1.22071   126.40486   147.43913
   77    68 S   OS   _O34    66     1.42641   112.85782   -69.62111
  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  10   5   4   3
  19   8   2   1   1  12   6   5  26  11   5   4  15   9  22  15
   6  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4
   3   9   4   9   6   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    73    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    48    66    70    73    74    75    41    45    46    50    47    53  
   38    39    40    42    73    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    48    49    57    73    41    45    47  
   40    42    43    44    48    41  
   42    43    44    48    41  
   45    46    50    51    52    47    53    54    55    56    42    48    49    57    63    66    67    68    70    71    72    73    74    75    76    77  
   43    44    48    49    57    58    59    60    66    50    47  
   44    48    49    57    47  
   48    49    57    47  
   46    50    51    52    47    53    54    55    56    48    66    70    73    74    75  
   50    51    52    47    53    54    55    56    73  
   53    48    49    50    51    52    57    58    59    60    63    64    65    66    67    68    69    70    73    74    75    77  
   49    57    58    59    60    61    62    63    66    67    68    73    50    51    52  
   57    58    59    60    66    50  
   51    52    53    54    55    56    57    63    66    67    68    73  
   52    53    66  
   53    66  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    77  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    75    77  
   68    69    70    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    75    77  
   71    72    73    74    75    76    77  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.166300   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   48   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   49   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    41   260.000  1.519
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   367.000  1.471
   48    49   434.000  1.010
   48    57   367.000  1.471
   48    47   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    47   260.000  1.519
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    77   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    41   260.000  1.519
   75    76   570.000  1.229
   75    77   214.000  1.327
   41    45   268.000  1.529
   41    47   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    53   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    47   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    73    58.35000  112.70000
   33    41    45    65.00000  119.52000
   33    41    47    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    80.00000  111.20000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    48    49    35.00000  109.50000
   42    48    57    75.00000  113.01200
   42    48    47    75.00000  113.01200
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    60    80.00000  111.20000
   48    47    66    80.00000  111.20000
   48    47    41    80.00000  111.20000
   48    47    50    80.00000  111.20000
   57    48    49    35.00000  109.50000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    47    70.00000  112.98000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    47    41    65.00000  119.52000
   66    47    50    65.00000  119.52000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    77    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    63.00000  111.10000
   70    73    41    70.00000  112.98000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    80.00000  120.40000
   73    75    77    81.00000  111.40000
   73    41    45    65.00000  119.52000
   73    41    47    65.00000  119.52000
   75    73    74    35.00000  109.50000
   77    68    69    35.00000  109.50000
   77    68    70    50.00000  109.50000
   77    75    76    83.00000  123.40000
   41    33    34    45.00000  111.22300
   41    33    38    70.00000  112.98000
   41    73    74    45.00000  111.22300
   41    73    75    63.00000  111.10000
   41    45    46    37.50000  110.70000
   41    45    50    63.00000   92.00000
   41    45    53    65.00000  119.52000
   41    47    50    63.00000   92.00000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    47    63.00000   92.00000
   45    53    54    45.00000  111.22300
   45    53    55    45.00000  111.22300
   45    53    56    45.00000  111.22300
   50    45    46    37.50000  110.70000
   52    50    51    33.00000  107.80000
   47    48    49    35.00000  109.50000
   47    48    57    75.00000  113.01200
   47    66    67    45.00000  111.22300
   47    66    68    70.00000  112.98000
   47    41    45    63.00000   92.00000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   53    45    46    45.00000  112.72800
   53    45    50    65.00000  119.52000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    73   0.44750  1.0 1.0
   29    33    41    73  -0.17800 -1.0 2.0
   29    33    41    73   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   1.36600  1.0 1.0
   33    38    42    48  -0.11450 -1.0 2.0
   33    38    42    48   0.24250  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    50  -0.70950  1.0 1.0
   33    41    45    50   0.38400 -1.0 2.0
   33    41    45    53   0.56750  1.0 1.0
   33    41    45    53  -0.07550 -1.0 2.0
   33    41    45    53   0.20000  1.0 3.0
   33    41   -47    48   1.36600  1.0 1.0
   33    41   -47    48  -0.11450 -1.0 2.0
   33    41   -47    48   0.24250  1.0 3.0
   33    41    47    66   0.56750  1.0 1.0
   33    41    47    66  -0.07550 -1.0 2.0
   33    41    47    66   0.20000  1.0 3.0
   33    41   -47    50  -0.70950  1.0 1.0
   33    41   -47    50   0.38400 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    73   0.15000  1.0 3.0
   34    33    41    45   0.00000  1.0 1.0
   34    33    41    47   0.00000  1.0 1.0
   38    33    41    73   0.56750  1.0 1.0
   38    33    41    73  -0.07550 -1.0 2.0
   38    33    41    73   0.20000  1.0 3.0
   38    33    41    45   0.04050  1.0 1.0
   38    33    41    45   0.63700 -1.0 2.0
   38    33    41    45   0.17650  1.0 3.0
   38    33    41    47   0.04050  1.0 1.0
   38    33    41    47   0.63700 -1.0 2.0
   38    33    41    47   0.17650  1.0 3.0
   38    42    48    49   0.17350  1.0 3.0
   38    42    48    57   0.47100  1.0 1.0
   38    42   -48    47   0.47100  1.0 1.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    44   0.23400  1.0 3.0
   39    38    42    48   1.69300  1.0 1.0
   39    38    42    48  -0.48450 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    48   0.19200  1.0 3.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    60   0.47100  1.0 1.0
   42    48    47    66   0.47100  1.0 1.0
   42    48    47    41   0.47100  1.0 1.0
   42    48    47    50   0.47100  1.0 1.0
   43    42    48    49   0.13050  1.0 3.0
   43    42    48    57   0.15000  1.0 3.0
   43    42    48    47   0.15000  1.0 3.0
   44    42    48    49   0.13050  1.0 3.0
   44    42    48    57   0.15000  1.0 3.0
   44    42    48    47   0.15000  1.0 3.0
   48    57    60    61   0.19200  1.0 3.0
   48    57    60    62   0.19200  1.0 3.0
   48    57    60    63   1.36600  1.0 1.0
   48    57    60    63  -0.11450 -1.0 2.0
   48    57    60    63   0.24250  1.0 3.0
   49    48    57    58   0.13050  1.0 3.0
   49    48    57    59   0.13050  1.0 3.0
   49    48    57    60   0.17350  1.0 3.0
   49    48    47    66   0.17350  1.0 3.0
   49    48    47    41   0.17350  1.0 3.0
   49    48    47    50   0.17350  1.0 3.0
   57    48    47    66   0.47100  1.0 1.0
   57    48    47    41   0.47100  1.0 1.0
   57    48    47    50   0.47100  1.0 1.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60   -63    66   0.56750  1.0 1.0
   57    60   -63    66  -0.07550 -1.0 2.0
   57    60   -63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63    66    47   0.31550 -1.0 2.0
   60    63    66    47   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    77   0.62750  1.0 1.0
   63    66    68    77  -0.30950 -1.0 2.0
   63    66    68    77   0.27300  1.0 3.0
   63    66   -47    48   1.36600  1.0 1.0
   63    66   -47    48  -0.11450 -1.0 2.0
   63    66   -47    48   0.24250  1.0 3.0
   63    66    47    41   0.04050  1.0 1.0
   63    66    47    41   0.63700 -1.0 2.0
   63    66    47    41   0.17650  1.0 3.0
   63    66    47    50   0.04050  1.0 1.0
   63    66    47    50   0.63700 -1.0 2.0
   63    66    47    50   0.17650  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    47   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    47   0.15000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.56750  1.0 1.0
   66    68    70    73  -0.07550 -1.0 2.0
   66    68    70    73   0.20000  1.0 3.0
   66    68    77    75  -0.25900  1.0 1.0
   66    68    77    75  -0.47000 -1.0 2.0
   66    68    77    75   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    47    48   0.19200  1.0 3.0
   67    66    47    41   0.00000  1.0 1.0
   67    66    47    50   0.00000  1.0 1.0
   68    66    47    48   1.36600  1.0 1.0
   68    66    47    48  -0.11450 -1.0 2.0
   68    66    47    48   0.24250  1.0 3.0
   68    66    47    41   0.04050  1.0 1.0
   68    66    47    41   0.63700 -1.0 2.0
   68    66    47    41   0.17650  1.0 3.0
   68    66    47    50   0.04050  1.0 1.0
   68    66    47    50   0.63700 -1.0 2.0
   68    66    47    50   0.17650  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    75  -0.95700  1.0 1.0
   68    70   -73    75  -0.18200 -1.0 2.0
   68    70   -73    75   0.29450  1.0 3.0
   68    70   -73    41   0.31550 -1.0 2.0
   68    70   -73    41   0.11250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    77    75   0.08050  1.0 3.0
   70    68   -77    75  -0.25900  1.0 1.0
   70    68   -77    75  -0.47000 -1.0 2.0
   70    68   -77    75   0.11750  1.0 3.0
   70    73    75    76   0.30150 -1.0 2.0
   70    73   -75    77   0.36750  1.0 3.0
   70    73    41    33   0.56750  1.0 1.0
   70    73    41    33  -0.07550 -1.0 2.0
   70    73    41    33   0.20000  1.0 3.0
   70    73    41    45   0.04050  1.0 1.0
   70    73    41    45   0.63700 -1.0 2.0
   70    73    41    45   0.17650  1.0 3.0
   70    73    41    47   0.04050  1.0 1.0
   70    73    41    47   0.63700 -1.0 2.0
   70    73    41    47   0.17650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    41   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    41   0.15000  1.0 3.0
   73    75   -77    68   1.63150  1.0 1.0
   73    75   -77    68   2.92000 -1.0 2.0
   73    41    45    46   0.15000  1.0 3.0
   73    41    45    50  -0.70950  1.0 1.0
   73    41    45    50   0.38400 -1.0 2.0
   73    41    45    53   0.56750  1.0 1.0
   73    41    45    53  -0.07550 -1.0 2.0
   73    41    45    53   0.20000  1.0 3.0
   73    41    47    48   1.36600  1.0 1.0
   73    41    47    48  -0.11450 -1.0 2.0
   73    41    47    48   0.24250  1.0 3.0
   73    41   -47    66   0.56750  1.0 1.0
   73    41   -47    66  -0.07550 -1.0 2.0
   73    41   -47    66   0.20000  1.0 3.0
   73    41   -47    50  -0.70950  1.0 1.0
   73    41   -47    50   0.38400 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    41    33   0.15000  1.0 3.0
   74    73    41    45   0.00000  1.0 1.0
   74    73    41    47   0.00000  1.0 1.0
   75    73    41    33  -0.95700  1.0 1.0
   75    73    41    33  -0.18200 -1.0 2.0
   75    73    41    33   0.29450  1.0 3.0
   75    73    41    45  -0.95700  1.0 1.0
   75    73    41    45  -0.18200 -1.0 2.0
   75    73    41    45   0.29450  1.0 3.0
   75    73    41    47  -0.95700  1.0 1.0
   75    73    41    47  -0.18200 -1.0 2.0
   75    73    41    47   0.29450  1.0 3.0
   76    75    77    68   3.00000 -1.0 2.0
   77    68    70    71   0.23400  1.0 3.0
   77    68    70    72   0.23400  1.0 3.0
   77    68   -70    73   0.62750  1.0 1.0
   77    68   -70    73  -0.30950 -1.0 2.0
   77    68   -70    73   0.27300  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.31550 -1.0 2.0
   41    33   -38    42   0.11250  1.0 3.0
   41    73    75    76   0.30150 -1.0 2.0
   41    73    75    77   0.36750  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45    50    52   0.15000  1.0 3.0
   41    45   -50    47   0.00000  1.0 1.0
   41    45    53    54   0.00000  1.0 1.0
   41    45    53    55   0.00000  1.0 1.0
   41    45    53    56   0.00000  1.0 1.0
   45    41    47    48   1.36600  1.0 1.0
   45    41    47    48  -0.11450 -1.0 2.0
   45    41    47    48   0.24250  1.0 3.0
   45    41    47    66  -0.70950  1.0 1.0
   45    41    47    66   0.38400 -1.0 2.0
   45    41   -47    50   0.00000  1.0 1.0
   45    50   -47    48   1.36600  1.0 1.0
   45    50   -47    48  -0.11450 -1.0 2.0
   45    50   -47    48   0.24250  1.0 3.0
   45    50   -47    66  -0.70950  1.0 1.0
   45    50   -47    66   0.38400 -1.0 2.0
   45    50   -47    41   0.00000  1.0 1.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    47   0.15000  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   50    45    53    54   0.00000  1.0 1.0
   50    45    53    55   0.00000  1.0 1.0
   50    45    53    56   0.00000  1.0 1.0
   51    50    47    48   0.19200  1.0 3.0
   51    50    47    66   0.15000  1.0 3.0
   51    50   -47    41   0.15000  1.0 3.0
   52    50    47    48   0.19200  1.0 3.0
   52    50    47    66   0.15000  1.0 3.0
   52    50   -47    41   0.15000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    59   0.15000  1.0 3.0
   47    48   -57    60   0.47100  1.0 1.0
   47    66    68    69   0.15000  1.0 3.0
   47    66   -68    70   0.31550 -1.0 2.0
   47    66   -68    70   0.11250  1.0 3.0
   47    66    68    77   0.62750  1.0 1.0
   47    66    68    77  -0.30950 -1.0 2.0
   47    66    68    77   0.27300  1.0 3.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    50   0.00000  1.0 1.0
   47    41    45    53  -0.70950  1.0 1.0
   47    41    45    53   0.38400 -1.0 2.0
   53    45    50    51   0.15000  1.0 3.0
   53    45    50    52   0.15000  1.0 3.0
   53    45   -50    47  -0.70950  1.0 1.0
   53    45   -50    47   0.38400 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
END
