* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    245     457
    1     0 S   NP   _N1_     1    29.03830    95.74736   -24.34360
    2     1 S   H    _HN1     2     1.02780   111.80750   -87.96089
    3     1 S   H    _H1_     3     1.02958    74.48926    15.97286
    4     1 S   H    _H2_     4     1.02822    33.50523  -177.78583
    5     1 S   CT   _CA1     5     1.50148   130.94971   119.65119
    6     5 S   HC   _HA1     6     1.09577   105.16556    90.78139
    7     5 S   CO3  _C1_     7     1.53788   112.50734   -29.30343
    8     7 S   O2Z  _O11     8     1.26366   115.02168   -40.41755
    9     7 S   O2Z  _O12     9     1.26250   114.95135   138.61077
   10     5 S   CT   _CB1    10     1.53062   107.35092  -151.33705
   11    10 S   HC   HB11    11     1.09830   109.23155   -50.25164
   12    10 S   HC   HB12    12     1.09816   110.44969    66.29019
   13    10 S   CT   _CG1    13     1.52980   112.72538  -171.33109
   14    13 S   HC   HG11    14     1.09587   110.51417   -66.57910
   15    13 S   HC   HG12    15     1.09668   109.90511    52.68396
   16    13 S   C    _CD1    16     1.51792   112.27152   172.93736
   17    16 S   O    _OE1    17     1.22706   123.30606     1.93735
   18    16 S   N    _N2_    18     1.38652   111.65345  -177.66636
   19    18 S   H    _HN2    19     1.01570   118.97422     1.67631
   20    18 S   CT1  _CA2    20     1.46106   123.30749   177.85051
   21    20 S   HC   _HA2    21     1.09445   109.11386     2.19267
   22    20 S   C    _C2_    22     1.53532   109.00316  -112.81011
   23    22 S   O    _O2_    23     1.23071   122.24766  -149.09033
   24    20 S   CT   _CB2    32     1.53212   111.48126   124.66038
   25    24 S   HC   HB21    33     1.09667   109.54417    58.19989
   26    24 S   HC   HB22    34     1.09513   111.30569   175.33557
   27    22 S   N    _N3_    24     1.38316   113.74600    38.36414
   28    27 S   H    _HN3    25     1.01584   119.54977    -2.89218
   29    24 S   S    _SG2    35     1.82968   114.27525   -61.29028
   30    27 S   CT   _CA3    26     1.45279   123.19915   176.91777
   31    30 S   HC   HA31    27     1.09549   107.45129   -66.29414
   32    30 S   HC   HA32    28     1.09558   108.04811    50.14604
   33    29 S   CT   _C22    36     1.83976   100.41654   -67.52912
   34    33 S   HC   _H3_    37     1.09460   105.36830    68.99900
   35    30 S   CO3  _C3_    29     1.52958   114.10710   172.25268
   36    35 S   O2Z  _O31    30     1.26373   116.08702     0.96307
   37    35 S   O2Z  _O32    31     1.26436   114.41270  -178.96014
   38    33 S   CM   _C8_    38     1.51366   109.44351  -171.55724
   39    33 S   OS   _O25    70     1.42770   110.72747   -49.53329
   40    38 S   CMA  _C9_    39     1.35279   125.68067  -120.02702
   41    40 S   OM   _O20    40     1.26327   127.82312    -1.26408
   42    39 S   CO   _C14    71     1.42319   113.39934   152.72004
   43    42 S   HC   _H34    72     1.09544   111.61597    50.80375
   44    40 S   OS   _O22    41     1.41727   110.42650   178.18102
   45    42 S   CM   _C4_    73     1.47740   108.36343   172.82624
   46    45 S   HC   _H27    74     1.08047   123.71028   -60.59741
   47    44 S   CT   _C15    42     1.42579   107.92884     6.94068
   48    47 S   HC   _H35    43     1.09586   109.40458  -133.25719
   49    45 S   CM   _C5_    75     1.33025   111.55083   119.23928
   50    47 S   CM   _C7_    44     1.50395   111.97614   103.45585
   51    49 S   CO4  _C10    76     1.46703   106.34924     0.06256
   52    51 S   O    _O21    77     1.21879   125.48562  -179.69099
   53    49 S   CT   _C19    79     1.47799   129.99517  -179.75292
   54    53 S   HC   _H38    80     1.09449   110.52572   119.97104
   55    53 S   HC   _H39    81     1.09481   111.42514    -0.01978
   56    53 S   HC   _H40    82     1.09447   110.52830  -120.00857
   57    50 S   CM   _C6_    45     1.34136   110.77852  -126.56307
   58    42 S   OS   _O23    78     1.43200   112.77666   -73.28299
   59    57 S   CT   _C11    46     1.49540   112.22038    -0.80794
   60    59 S   HC   _H28    47     1.09001   111.95631   133.59387
   61    59 S   HC   _H29    48     1.09632   109.21164  -106.98011
   62    57 S   CT   _C16    51     1.49250   124.82702  -177.71535
   63    62 S   HC   _H36    52     1.09643   108.54050   109.23964
   64    38 S   CT   _C17    49     1.50152   123.01679    57.37077
   65    64 S   HC   _H37    50     1.09619   109.82764   -67.79952
   66    62 S   CT   _C12    53     1.53337   111.97997   -12.15909
   67    66 S   HC   _H30    54     1.09742   110.34662   -82.19533
   68    66 S   HC   _H31    55     1.09709   109.16542   162.52292
   69    62 S   OH   _O24    68     1.42328   109.69243  -133.20376
   70    69 S   HO   _H48    69     0.97222   107.41885  -179.72164
   71    66 S   CT   _C13    56     1.53021   111.63686    40.88944
   72    71 S   HC   _H32    57     1.09902   108.20241    62.50944
   73    71 S   HC   _H33    58     1.09725   109.35702   177.76787
   74    50 S   CT   _C18    59     1.51377   124.95150    56.35244
   75    74 S   CT   _C20    60     1.54108   109.81544   -78.47224
   76    75 S   HC   _H41    61     1.09617   111.00444  -172.92377
   77    75 S   HC   _H42    62     1.09526   111.76430    67.83502
   78    75 S   HC   _H43    63     1.09566   111.92662   -52.62736
   79    74 S   CT   _C21    64     1.53932   111.32439    42.06215
   80    79 S   HC   _H44    65     1.09619   110.97895   176.22664
   81    79 S   HC   _H45    66     1.09630   111.36678    56.29849
   82    79 S   HC   _H46    67     1.09593   111.73331   -64.06836
  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   7   5   4   3
  14   5   2   1   1  14   9   8   3   8   5   8   9   4  13   6
   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6   2
   1  10   6   5   2   1  11   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    64    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    59    64    65    39    42    43    45    58  
   38    40    64    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    57    59    60    61    64    65    39    42  
   42    43    45    46    49    51    58    40    64  
   41    44    47    48    50    59    64    65  
   44    47    64  
   43    45    46    49    51    52    58    53  
   45    46    49    51    58  
   47    48    50    57    59    64    65    74  
   46    49    51    52    58    53    54    55    56  
   49    51    58    53  
   48    50    57    59    60    61    64    65    62    71    74    75    79  
   50    57    59    64    65    74  
   51    52    58    53    54    55    56  
   57    59    60    61    64    65    62    63    66    71    72    73    74    75    76    77    78    79    80    81    82    69  
   52    58    53    54    55    56  
   58    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    60    61    64    65    62    63    66    67    68    71    74    75    79    69    70  
    0  
   60    61    64    65    62    63    66    74    69  
   61    64    65    62  
   64    65    62  
   63    66    67    68    71    72    73    74    69    70    64  
   66    67    68    71    69    70  
   65    74  
    0  
   67    68    71    72    73    74    75    79    69    70  
   68    71    72    73    74    69  
   71    72    73    74    69  
   70    71  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    64   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    64   268.000  1.529
   50    57   549.000  1.340
   50    74   317.000  1.510
   57    59   317.000  1.510
   57    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   553.000  0.945
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    58   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    51   320.000  1.462
   49    53   317.000  1.510
   51    52   570.000  1.229
   51    58   214.000  1.327
   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    64    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    64    47    70.00000  112.02700
   38    64    59    70.00000  112.02700
   38    64    65    35.00000  109.50000
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    85.00000  110.90400
   44    47    64    50.00000  109.50000
   47    50    57    70.00000  124.00000
   47    50    74    65.00000  117.92700
   47    64    59    58.35000  112.70000
   47    64    65    37.50000  110.70000
   50    47    48    35.00000  109.50000
   50    57    59    70.00000  124.00000
   50    57    62    70.00000  124.00000
   50    74    71    70.00000  112.02700
   50    74    75    70.00000  112.02700
   50    74    79    70.00000  112.02700
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    64    70.00000  112.02700
   57    62    63    35.00000  109.50000
   57    62    66    70.00000  112.02700
   57    62    69    90.00000  110.39200
   59    64    65    37.50000  110.70000
   61    59    60    33.00000  107.80000
   64    38    40    70.00000  124.00000
   64    47    48    37.50000  110.70000
   64    47    50    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   62    57    59    65.00000  117.92700
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    71    58.35000  112.70000
   62    69    70    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    50    57    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    66    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    58    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    58    51    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    51    65.00000  118.96000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    51    58    90.00000  111.29400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   58    42    43    35.00000  109.50000
   58    42    45    85.00000  110.90400
   58    51    52    83.00000  123.40000
   53    49    51    65.00000  116.34900
   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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    64   0.30250  1.0 1.0
   29    33    38    64  -0.14950 -1.0 2.0
   29    33    38    64   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    64    47   0.46850  1.0 1.0
   33    38    64    47   0.08550 -1.0 2.0
   33    38    64    47   0.09800  1.0 3.0
   33    38    64    59   0.46850  1.0 1.0
   33    38    64    59   0.08550 -1.0 2.0
   33    38    64    59   0.09800  1.0 3.0
   33    38    64    65   0.34800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    58  -0.53350  1.0 1.0
   33    39    42    58  -0.78350 -1.0 2.0
   33    39    42    58   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    64   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   40    38   -64    47   0.09850  1.0 1.0
   40    38   -64    47   0.15250 -1.0 2.0
   40    38   -64    47  -0.50650  1.0 3.0
   40    38    64    59   0.09850  1.0 1.0
   40    38    64    59   0.15250 -1.0 2.0
   40    38    64    59  -0.50650  1.0 3.0
   40    38    64    65   0.00000  1.0 1.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    50  -0.48150  1.0 1.0
   40    44    47    50   0.09250 -1.0 2.0
   40    44    47    50  -0.12850  1.0 3.0
   40    44   -47    64  -0.46850  1.0 1.0
   40    44   -47    64   0.09300 -1.0 2.0
   40    44   -47    64  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    50    57   0.39000  1.0 1.0
   44    47    50    57  -0.05800 -1.0 2.0
   44    47    50    57  -0.55150  1.0 3.0
   44    47    50    74   0.09700  1.0 1.0
   44    47    50    74   0.15600 -1.0 2.0
   44    47    50    74  -0.50800  1.0 3.0
   44    47   -64    38   0.61850  1.0 1.0
   44    47   -64    38  -0.22750 -1.0 2.0
   44    47   -64    38   0.15300  1.0 3.0
   44    47    64    59   0.62750  1.0 1.0
   44    47    64    59  -0.30950 -1.0 2.0
   44    47    64    59   0.27300  1.0 3.0
   44    47    64    65   0.23400  1.0 3.0
   47    50   -57    59   7.00000 -1.0 2.0
   47    50    57    62   7.00000 -1.0 2.0
   47    50    74    71   0.46850  1.0 1.0
   47    50    74    71   0.08550 -1.0 2.0
   47    50    74    71   0.09800  1.0 3.0
   47    50    74    75   0.46850  1.0 1.0
   47    50    74    75   0.08550 -1.0 2.0
   47    50    74    75   0.09800  1.0 3.0
   47    50    74    79   0.46850  1.0 1.0
   47    50    74    79   0.08550 -1.0 2.0
   47    50    74    79   0.09800  1.0 3.0
   48    47    50    57   0.00000  1.0 1.0
   48    47    50    74   0.34800  1.0 3.0
   48    47    64    38   0.15000  1.0 3.0
   48    47    64    59   0.15000  1.0 3.0
   48    47    64    65   0.15000  1.0 3.0
   50    47    64    38   0.31000  1.0 1.0
   50    47    64    38   0.14700 -1.0 2.0
   50    47    64    38   0.07550  1.0 3.0
   50    47   -64    59   0.34400  1.0 1.0
   50    47   -64    59   0.09450 -1.0 2.0
   50    47   -64    59   0.11100  1.0 3.0
   50    47    64    65   0.15000  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.00000  1.0 1.0
   50    57   -59    64   0.09850  1.0 1.0
   50    57   -59    64   0.15250 -1.0 2.0
   50    57   -59    64  -0.50650  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    66   0.09850  1.0 1.0
   50    57    62    66   0.15250 -1.0 2.0
   50    57    62    66  -0.50650  1.0 3.0
   50    57    62    69   0.67800  1.0 1.0
   50    57    62    69   0.47050 -1.0 2.0
   50    57    62    69  -0.62500  1.0 3.0
   50    74    75    76   0.15000  1.0 3.0
   50    74    75    77   0.15000  1.0 3.0
   50    74    75    78   0.15000  1.0 3.0
   50    74    79    80   0.15000  1.0 3.0
   50    74    79    81   0.15000  1.0 3.0
   50    74    79    82   0.15000  1.0 3.0
   57    50    74    71   0.09850  1.0 1.0
   57    50    74    71   0.15250 -1.0 2.0
   57    50    74    71  -0.50650  1.0 3.0
   57    50    74    75   0.09850  1.0 1.0
   57    50    74    75   0.15250 -1.0 2.0
   57    50    74    75  -0.50650  1.0 3.0
   57    50    74    79   0.09850  1.0 1.0
   57    50    74    79   0.15250 -1.0 2.0
   57    50    74    79  -0.50650  1.0 3.0
   57    59    64    38   0.31000  1.0 1.0
   57    59    64    38   0.14700 -1.0 2.0
   57    59    64    38   0.07550  1.0 3.0
   57    59   -64    47   0.34400  1.0 1.0
   57    59   -64    47   0.09450 -1.0 2.0
   57    59   -64    47   0.11100  1.0 3.0
   57    59    64    65   0.15000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62   -66    71   0.34400  1.0 1.0
   57    62   -66    71   0.09450 -1.0 2.0
   57    62   -66    71   0.11100  1.0 3.0
   57    62    69    70  -0.07800  1.0 1.0
   57    62    69    70  -0.21500 -1.0 2.0
   57    62    69    70  -0.03150  1.0 3.0
   59    57    62    63   0.34800  1.0 3.0
   59    57    62    66   0.46850  1.0 1.0
   59    57    62    66   0.08550 -1.0 2.0
   59    57    62    66   0.09800  1.0 3.0
   59    57    62    69   0.18000  1.0 1.0
   59    57    62    69   0.16450 -1.0 2.0
   59    57    62    69   0.04450  1.0 3.0
   60    59    64    38   0.15000  1.0 3.0
   60    59    64    47   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   61    59    64    38   0.15000  1.0 3.0
   61    59    64    47   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   64    38    40    41   7.00000 -1.0 2.0
   64    38   -40    44   7.00000 -1.0 2.0
   64    47   -50    57   0.09850  1.0 1.0
   64    47   -50    57   0.15250 -1.0 2.0
   64    47   -50    57  -0.50650  1.0 3.0
   64    47    50    74   0.46850  1.0 1.0
   64    47    50    74   0.08550 -1.0 2.0
   64    47    50    74   0.09800  1.0 3.0
   62    57    59    60   0.34800  1.0 3.0
   62    57    59    61   0.34800  1.0 3.0
   62    57    59    64   0.46850  1.0 1.0
   62    57    59    64   0.08550 -1.0 2.0
   62    57    59    64   0.09800  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.56750  1.0 1.0
   62    66    71    74  -0.07550 -1.0 2.0
   62    66    71    74   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   66    62    69    70  -0.11600  1.0 1.0
   66    62    69    70  -0.09450 -1.0 2.0
   66    62    69    70   0.21250  1.0 3.0
   66    71   -74    50   0.34400  1.0 1.0
   66    71   -74    50   0.09450 -1.0 2.0
   66    71   -74    50   0.11100  1.0 3.0
   66    71    74    75   0.56750  1.0 1.0
   66    71    74    75  -0.07550 -1.0 2.0
   66    71    74    75   0.20000  1.0 3.0
   66    71    74    79   0.56750  1.0 1.0
   66    71    74    79  -0.07550 -1.0 2.0
   66    71    74    79   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    50   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    50   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    50    57    59   7.00000 -1.0 2.0
   74    50   -57    62   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   69    62    66    67   0.23400  1.0 3.0
   69    62    66    68   0.23400  1.0 3.0
   69    62    66    71   0.86500  1.0 1.0
   69    62    66    71  -0.17500 -1.0 2.0
   69    62    66    71   0.20800  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    64   0.09700  1.0 1.0
   39    33    38    64   0.15600 -1.0 2.0
   39    33    38    64  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    58    51  -1.83450  1.0 1.0
   39    42    58    51  -0.02700 -1.0 2.0
   39    42    58    51  -0.20100  1.0 3.0
   42    45   -49    51   7.00000 -1.0 2.0
   42    45    49    53   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    58    51   0.08050  1.0 3.0
   45    42   -58    51  -0.82050  1.0 1.0
   45    42   -58    51   0.00600 -1.0 2.0
   45    42   -58    51   0.04400  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49   -51    58  -0.56150  1.0 1.0
   45    49   -51    58   2.19150 -1.0 2.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    51   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    51   -58    42   2.00000 -1.0 2.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   52    51    58    42   3.00000 -1.0 2.0
   58    42    45    46   0.00000  1.0 1.0
   58    42   -45    49   0.39000  1.0 1.0
   58    42   -45    49  -0.05800 -1.0 2.0
   58    42   -45    49  -0.55150  1.0 3.0
   53    49    51    52  -0.64400  1.0 1.0
   53    49    51    52   0.26850 -1.0 2.0
   53    49    51    58  -0.15000  1.0 1.0
   53    49    51    58   0.89550 -1.0 2.0
   53    49    51    58  -0.06900  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
   37    30    35    36  10.50000 -1.0 2.0
   33    64    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   47    74    50    57   1.10000 -1.0 2.0
   59    62    57    50   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   51    53    49    45   1.10000 -1.0 2.0
   49    58    51    52  10.50000 -1.0 2.0
END
