* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    162    263     470
    1     0 S   NP   _N1_     1    29.01298    99.72560   -20.32385
    2     1 S   H    _HN1     2     1.02778   101.74823  -111.65231
    3     1 S   H    _H1_     3     1.02957    53.74760    -7.45404
    4     1 S   H    _H2_     4     1.02839    58.24569   144.47743
    5     1 S   CT   _CA1     5     1.50123   145.94881    64.35385
    6     5 S   HC   _HA1     6     1.09582   105.21361   122.87930
    7     5 S   CO3  _C1_     7     1.53803   112.23029     2.79470
    8     7 S   O2Z  _O11     8     1.26355   115.00991   -47.64166
    9     7 S   O2Z  _O12     9     1.26233   114.92889   131.28500
   10     5 S   CT   _CB1    10     1.53106   107.39656  -119.36895
   11    10 S   HC   HB11    11     1.09824   109.36733   -51.47067
   12    10 S   HC   HB12    12     1.09811   110.46106    65.12217
   13    10 S   CT   _CG1    13     1.52952   112.54225  -172.54102
   14    13 S   HC   HG11    14     1.09507   110.25844   -64.70125
   15    13 S   HC   HG12    15     1.09652   109.98311    54.46719
   16    13 S   C    _CD1    16     1.51792   112.43279   175.18013
   17    16 S   O    _OE1    17     1.22757   123.34536     2.88229
   18    16 S   N    _N2_    18     1.38516   111.68570  -177.29571
   19    18 S   H    _HN2    19     1.01627   119.09635     3.11395
   20    18 S   CT1  _CA2    20     1.45941   122.95025   179.37068
   21    20 S   HC   _HA2    21     1.09631   109.70187    26.65260
   22    20 S   C    _C2_    22     1.52747   104.74042   -91.55074
   23    22 S   O    _O2_    23     1.23018   122.20555   -73.76720
   24    20 S   CT   _CB2    32     1.53102   111.52267   149.85745
   25    24 S   HC   HB21    33     1.09396   109.92407    54.04387
   26    24 S   HC   HB22    34     1.09392   110.12576   172.13818
   27    22 S   N    _N3_    24     1.38506   113.04885   102.18573
   28    27 S   H    _HN3    25     1.01536   119.73394     3.25173
   29    24 S   S    _SG2    35     1.82898   110.86227   -68.12901
   30    27 S   CT   _CA3    26     1.45443   123.01345  -179.33177
   31    30 S   HC   HA31    27     1.09522   109.55829    24.08785
   32    30 S   HC   HA32    28     1.09518   107.17275   140.91035
   33    29 S   CT   _C18    36     1.87057   100.86121   152.77128
   34    33 S   OM   _O35    37     1.31948   109.25680  -175.77979
   35    30 S   CO3  _C3_    29     1.52781   112.47284   -99.28942
   36    35 S   O2Z  _O31    30     1.26405   114.99545   -65.33526
   37    35 S   O2Z  _O32    31     1.26291   115.27589   115.18631
   38    33 S   CT   _C11    38     1.58516   108.14760    64.77787
   39    38 S   HC   _H6_    39     1.10092   105.33832   -63.43344
   40    33 S   OS   _O36    77     1.45502   112.49096   -50.42848
   41    38 S   CA   _C12    40     1.53722   114.81696  -176.94053
   42    38 S   C    _C10    51     1.54747   115.79252    52.82514
   43    42 S   O    _O34    52     1.22933   123.89640    47.62537
   44    40 S   CA   _C19    78     1.36744   124.63451   -54.81538
   45    41 S   CA   _C13    41     1.40553   119.47053    95.83863
   46    45 S   HA   _H11    42     1.08749   120.37349    -0.16902
   47    42 S   N    _N5_    53     1.39032   112.86115  -134.60510
   48    47 S   H    _H10    54     1.01679   118.60153     1.82199
   49    44 S   CA   _C20    79     1.39491   126.87235   -16.41212
   50    49 S   HA   _H16    80     1.08426   122.14490    -0.67666
   51    45 S   CA   _C14    43     1.39616   120.83344  -179.86012
   52    51 S   HA   _H12    44     1.08614   119.92122   179.94065
   53    47 S   C4T  _C8_    55     1.47703   122.42823  -178.04355
   54    53 S   HC   _H5_    56     1.09692   111.26185    52.80735
   55    49 S   CA   _C21    81     1.39831   120.25106   179.54372
   56    55 S   HA   _H17    82     1.08683   119.81321  -179.59266
   57    51 S   CA   _C15    45     1.39241   120.05782     0.11535
   58    57 S   HA   _H13    46     1.08595   120.08561   179.89165
   59    53 S   C4   _C9_    57     1.54695   115.83281   -77.36256
   60    59 S   O    _O33    58     1.20975   136.55453    51.91068
   61    53 S   C4T  _C7_    64     1.54564   116.43941  -175.37912
   62    61 S   HC   _H4_    65     1.09395   115.06147  -123.78979
   63    55 S   CA   _C22    83     1.39295   120.39158     0.16902
   64    63 S   HA   _H18    84     1.08616   120.00812  -179.67918
   65    57 S   CA   _C16    47     1.39273   119.85301     0.13988
   66    65 S   HA   _H14    48     1.08624   120.00337   179.65170
   67    59 S   N4   _N4_    59     1.36255    90.95817  -122.86061
   68    63 S   CA   _C23    85     1.39135   119.73890     0.44806
   69    68 S   HA   _H19    86     1.08595   120.10148   179.72876
   70    41 S   CA   _C17    49     1.40350   122.17698   -83.62868
   71    70 S   HA   _H15    50     1.08695   120.72972     0.27340
   72    67 S   CT1  _C6_    60     1.45623   127.26628   139.03000
   73    72 S   HC   _H3_    61     1.09826   107.46237    29.43589
   74    44 S   CA   _C24    87     1.40073   114.18813   164.05390
   75    74 S   HA   _H20    88     1.08754   119.96944     0.05935
   76    72 S   CT   _C5_    62     1.55110   105.13591   -87.37100
   77    72 S   CO3  _C25    74     1.54383   111.33195   147.21032
   78    77 S   O2Z  _O38    75     1.26336   116.29642    46.97546
   79    77 S   O2Z  _O37    76     1.26505   114.47139  -132.93210
   80    76 S   S    _S1_    63     1.86337   106.92915   -27.82457
   81    76 S   CT   _C4_    66     1.53235   114.46131  -148.33307
   82    81 S   HC   _H7_    67     1.09669   111.47849  -177.12697
   83    81 S   HC   _H8_    68     1.09527   112.53795    62.46061
   84    81 S   HC   _H9_    69     1.09612   110.63282   -58.05534
   85    76 S   CT   _C26    70     1.53844   110.68624    88.56785
   86    85 S   HC   _H21    71     1.09606   111.60837  -176.09736
   87    85 S   HC   _H22    72     1.09624   110.49863    64.63898
   88    85 S   HC   _H23    73     1.09417   112.54708   -54.87346
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  15   7   9  12   9   3   9   8   4   9   4
   8   4   6   3   9   6   6   3   5   3   9   3   9   4   5   3
   3   2   9   3   2   1   1  14   7   1   1  12   5   1   1   8
   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    42    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    45    70    42    43    47    40    44    49    74  
   38    39    41    42    40    44  
   36    37  
   37  
    0  
   39    41    45    46    51    65    70    71    42    43    47    48    53    40    44  
   41    45    70    42    43    47    40  
   44    49    50    55    68    74    75    41    42  
   45    46    51    52    57    65    66    70    71    42    43    47  
   43    47    48    53    54    59    61    45    70  
   47    48    53  
   49    50    55    56    63    68    69    74    75  
   46    51    52    57    58    65    70    71  
   51    52    57    70  
   48    53    54    59    60    67    80    61    62  
   53    54    59    61  
   50    55    56    63    64    68    74    75  
   55    56    63    74  
   52    57    58    65    66    70  
   57    58    65  
   54    59    60    67    72    76    80    61    62  
   59    60    67    80    61    62  
   56    63    64    68    69    74  
   63    64    68  
   58    65    66    70    71  
   65    66    70  
   60    67    72    73    76    80    61    62    77  
   67    72    61  
   62    81    85    77    67    72    73    76    80  
   67    72    76    80  
   64    68    69    74    75  
   68    69    74  
   66    70    71  
   70    71  
   72    73    76    80    81    85    77    78    79  
   69    74    75  
   74    75  
   71  
    0  
   73    76    80    81    82    83    84    85    86    87    88    77    78    79  
   76    80    81    85    77    78    79  
   75  
    0  
   80    81    82    83    84    85    86    87    88    77    78    79  
   78    79    80    81    85  
   79  
    0  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.510
   38    42   317.000  1.522
   41    45   469.000  1.400
   41    70   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   42    43   570.000  1.229
   42    47   490.000  1.335
   47    48   434.000  1.010
   47    53   337.000  1.449
   53    54   340.000  1.090
   53    59   250.000  1.540
   53    61   268.000  1.529
   59    60   930.000  1.212
   59    67   440.000  1.369
   67    72   337.000  1.449
   67    61   305.000  1.456
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    77   317.000  1.522
   76    80   222.000  1.810
   76    81   268.000  1.529
   76    85   268.000  1.529
   80    61   200.000  1.824
   61    62   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    78   656.000  1.250
   77    79   656.000  1.250
   40    44   450.000  1.364
   44    49   469.000  1.400
   44    74   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    38    42    63.00000  111.10000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    45    70.00000  120.00000
   38    41    70    70.00000  120.00000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.60000
   41    38    39    35.00000  109.50000
   41    45    46    35.00000  120.00000
   41    45    51    63.00000  120.00000
   41    70    65    63.00000  120.00000
   41    70    71    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    65    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    70    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    70    71    35.00000  120.00000
   70    41    45    63.00000  120.00000
   70    65    66    35.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    41    70.00000  109.44300
   42    47    48    35.00000  119.80000
   42    47    53    50.00000  121.90000
   47    42    43    80.00000  122.90000
   47    53    54    50.00000  112.01000
   47    53    59    75.00000  110.24000
   47    53    61    80.00000  110.05700
   53    47    48    38.00000  118.40000
   53    59    60    60.00000  136.58000
   53    59    67    95.00000   92.72400
   53    61    67   105.00000   87.49700
   53    61    80    65.00000  119.05700
   53    61    62    37.50000  110.70000
   59    53    54    40.00000  113.37500
   59    67    72    50.00000  132.10000
   59    67    61   100.00000   93.00000
   67    59    60    75.00000  131.60000
   67    72    73    35.00000  109.50000
   67    72    76    80.00000  109.70000
   67    72    77    63.00000  110.10000
   67    61    80    80.00000  108.62000
   67    61    62    50.00000  112.01000
   72    76    80    75.00000  108.68000
   72    76    81    58.35000  112.70000
   72    76    85    58.35000  112.70000
   72    77    78    70.00000  117.00000
   72    77    79    70.00000  117.00000
   76    72    73    37.50000  110.70000
   76    80    61    85.00000   99.86700
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   76    85    86    37.50000  110.70000
   76    85    87    37.50000  110.70000
   76    85    88    37.50000  110.70000
   80    61    62    45.00000  109.41400
   61    53    54    37.50000  110.70000
   61    53    59   100.00000   86.36000
   61    67    72    50.00000  132.70000
   81    76    80    75.00000  111.63000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    76    80    75.00000  111.63000
   85    76    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    76    63.00000  111.10000
   79    77    78    80.00000  126.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    49    70.00000  120.00000
   40    44    74    70.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    74    68    63.00000  120.00000
   44    74    75    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    63    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    68    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    74    75    35.00000  120.00000
   74    44    49    63.00000  120.00000
   74    68    69    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    45   0.04150 -1.0 2.0
   33    38    41    70   0.04150 -1.0 2.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   1.39750  1.0 1.0
   33    38    42    47  -0.07950 -1.0 2.0
   33    38    42    47  -0.18750  1.0 3.0
   33    40    44    49   1.63200 -1.0 2.0
   33    40    44    74   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41  -0.64350  1.0 1.0
   34    33    38    41  -0.04200 -1.0 2.0
   34    33    38    41   0.19800  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    51   3.62500 -1.0 2.0
   38    41    70    65   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   38    42    47    48   2.45000 -1.0 2.0
   38    42    47    53   1.49850  1.0 1.0
   38    42    47    53   1.53950 -1.0 2.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    41    70   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   41    38    42    43   0.30150 -1.0 2.0
   41    38    42    47   0.00000  1.0 1.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    57   3.62500 -1.0 2.0
   45    41    70    65   3.62500 -1.0 2.0
   45    41    70    71   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51   -57    65   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    57    65    66   3.62500 -1.0 2.0
   51    57    65    70   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    65   3.62500 -1.0 2.0
   57    65   -70    41   3.62500 -1.0 2.0
   57    65    70    71   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   58    57    65    70   3.62500 -1.0 2.0
   66    65    70    41   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   70    41    45    46   3.62500 -1.0 2.0
   70    41   -45    51   3.62500 -1.0 2.0
   42    38    41    45   0.04300 -1.0 2.0
   42    38    41    70   0.04300 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   42    47    53    59  -0.42300  1.0 1.0
   42    47    53    59  -0.07000 -1.0 2.0
   42    47    53    59   0.04150  1.0 3.0
   42    47    53    61  -0.43950  1.0 1.0
   42    47    53    61  -0.08100 -1.0 2.0
   42    47    53    61   0.03350  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    53   3.04450 -1.0 2.0
   47    53    59    60   0.30150 -1.0 2.0
   47    53    59    67   0.00000  1.0 1.0
   47    53   -61    67   2.20050  1.0 1.0
   47    53   -61    67   0.63450 -1.0 2.0
   47    53   -61    67  -0.91300  1.0 3.0
   47    53    61    80   0.00000  1.0 1.0
   47    53    61    62   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   48    47    53    61   0.00000  1.0 1.0
   53    59    67    72   3.00000 -1.0 2.0
   53    59   -67    61   3.00000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    67   0.00000  1.0 1.0
   54    53   -61    67   0.15000  1.0 3.0
   54    53    61    80   0.00000  1.0 1.0
   54    53    61    62   0.15000  1.0 3.0
   59    53   -61    67   3.00000 -1.0 2.0
   59    53    61    80   0.00000  1.0 1.0
   59    53    61    62   0.15000  1.0 3.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    76   0.00000  1.0 1.0
   59    67    72    77   0.00000  1.0 1.0
   59    67   -61    53   0.00000  1.0 1.0
   59    67   -61    80   0.00000  1.0 1.0
   59    67   -61    62   0.00000  1.0 1.0
   60    59    67    72   3.00000 -1.0 2.0
   60    59    67    61   3.00000 -1.0 2.0
   67    72   -76    80   0.71400  1.0 1.0
   67    72   -76    80   0.04300 -1.0 2.0
   67    72   -76    80   0.01450  1.0 3.0
   67    72    76    81   0.42250  1.0 1.0
   67    72    76    81  -0.48100 -1.0 2.0
   67    72    76    81   0.35650  1.0 3.0
   67    72    76    85   0.42250  1.0 1.0
   67    72    76    85  -0.48100 -1.0 2.0
   67    72    76    85   0.35650  1.0 3.0
   67    72    77    78   0.00000  1.0 1.0
   67    72    77    79   0.00000  1.0 1.0
   72    67   -61    53   0.00000  1.0 1.0
   72    67   -61    80   0.00000  1.0 1.0
   72    67    61    62   0.00000  1.0 1.0
   72    76   -80    61  -0.25000 -1.0 2.0
   72    76   -80    61  -0.01800  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84   0.15000  1.0 3.0
   72    76    85    86   0.15000  1.0 3.0
   72    76    85    87   0.15000  1.0 3.0
   72    76    85    88   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    76    85   0.15000  1.0 3.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   76    72    77    78   0.00000  1.0 1.0
   76    72    77    79   0.00000  1.0 1.0
   76    80    61    53   0.25150  1.0 1.0
   76    80    61    53  -1.17200 -1.0 2.0
   76    80    61    53   0.53050  1.0 3.0
   76    80   -61    67   0.01700  1.0 1.0
   76    80   -61    67  -0.23550 -1.0 2.0
   76    80   -61    67   0.21350  1.0 3.0
   76    80    61    62   0.00000  1.0 1.0
   80    76    81    82   0.15000  1.0 3.0
   80    76    81    83   0.15000  1.0 3.0
   80    76    81    84   0.15000  1.0 3.0
   80    76    85    86   0.15000  1.0 3.0
   80    76    85    87   0.15000  1.0 3.0
   80    76    85    88   0.15000  1.0 3.0
   61    53   -59    60  -0.11250  1.0 1.0
   61    53   -59    60   0.11400 -1.0 2.0
   61    53   -59    60  -0.28950  1.0 3.0
   61    53   -59    67   3.00000 -1.0 2.0
   61    67    72    73   0.00000  1.0 1.0
   61    67   -72    76   0.00000  1.0 1.0
   61    67    72    77   0.00000  1.0 1.0
   81    76    80    61  -0.25000 -1.0 2.0
   81    76    80    61  -0.01800  1.0 3.0
   81    76    85    86   0.15000  1.0 3.0
   81    76    85    87   0.15000  1.0 3.0
   81    76    85    88   0.15000  1.0 3.0
   85    76    80    61  -0.25000 -1.0 2.0
   85    76    80    61  -0.01800  1.0 3.0
   85    76    81    82   0.15000  1.0 3.0
   85    76    81    83   0.15000  1.0 3.0
   85    76    81    84   0.15000  1.0 3.0
   77    72    76    80  -2.17200  1.0 1.0
   77    72    76    80  -0.85700 -1.0 2.0
   77    72    76    81  -0.84850  1.0 1.0
   77    72    76    81  -0.22800 -1.0 2.0
   77    72    76    81   0.29250  1.0 3.0
   77    72    76    85  -0.84850  1.0 1.0
   77    72    76    85  -0.22800 -1.0 2.0
   77    72    76    85   0.29250  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.64350  1.0 1.0
   40    33    38    41  -0.04200 -1.0 2.0
   40    33    38    41   0.19800  1.0 3.0
   40    33    38    42  -0.09450  1.0 1.0
   40    33    38    42  -1.12950 -1.0 2.0
   40    33    38    42   0.54000  1.0 3.0
   40    44    49    50   3.62500 -1.0 2.0
   40    44    49    55   3.62500 -1.0 2.0
   40    44    74    68   3.62500 -1.0 2.0
   40    44    74    75   3.62500 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    63   3.62500 -1.0 2.0
   49    44    74    68   3.62500 -1.0 2.0
   49    44    74    75   3.62500 -1.0 2.0
   49    55    63    64   3.62500 -1.0 2.0
   49    55   -63    68   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    63   3.62500 -1.0 2.0
   55    63    68    69   3.62500 -1.0 2.0
   55    63    68    74   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    68   3.62500 -1.0 2.0
   63    68   -74    44   3.62500 -1.0 2.0
   63    68    74    75   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   69    68    74    44   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    44    49    50   3.62500 -1.0 2.0
   74    44   -49    55   3.62500 -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
   45    70    41    38   4.00000 -1.0 2.0
   51    46    45    41   1.10000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   65    58    57    51   1.10000 -1.0 2.0
   70    66    65    57   1.10000 -1.0 2.0
   65    71    70    41   1.10000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   48    42    47    53   1.00000 -1.0 2.0
   53    67    59    60  10.50000 -1.0 2.0
   61    59    67    72   1.00000 -1.0 2.0
   78    72    77    79  10.50000 -1.0 2.0
   49    74    44    40   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   63    56    55    49   1.10000 -1.0 2.0
   68    64    63    55   1.10000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   68    75    74    44   1.10000 -1.0 2.0
END
