* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    266     488
    1     0 S   NP   _N1_     1    28.77148    95.91069   -23.90967
    2     1 S   H    _HN1     2     1.02949    75.67534     6.96044
    3     1 S   H    _H1_     3     1.02829    33.09097   168.38572
    4     1 S   H    _H2_     4     1.02793   109.02893   -97.85780
    5     1 S   CT   _CA1     5     1.50120   133.14834   111.69208
    6     5 S   HC   _HA1     6     1.09575   105.17996    88.53915
    7     5 S   CO3  _C1_     7     1.53772   112.40544   -31.69074
    8     7 S   O2Z  _O11     8     1.26374   115.01216   -44.03492
    9     7 S   O2Z  _O12     9     1.26232   114.93498   134.97516
   10     5 S   CT   _CB1    10     1.53061   107.40259  -153.50928
   11    10 S   HC   HB11    11     1.09841   109.34844   -49.54825
   12    10 S   HC   HB12    12     1.09811   110.47305    67.04119
   13    10 S   CT   _CG1    13     1.53018   112.63462  -170.48663
   14    13 S   HC   HG11    14     1.09575   110.70684   -66.45821
   15    13 S   HC   HG12    15     1.09668   109.73405    52.79766
   16    13 S   C    _CD1    16     1.51812   112.02120   173.26815
   17    16 S   O    _OE1    17     1.22759   123.19609    10.58660
   18    16 S   N    _N2_    18     1.38641   111.81921  -169.47626
   19    18 S   H    _HN2    19     1.01590   119.03492     1.12396
   20    18 S   CT1  _CA2    20     1.46231   123.35850   177.10119
   21    20 S   HC   _HA2    21     1.09744   109.26167     6.66433
   22    20 S   C    _C2_    22     1.53668   108.97121  -108.83935
   23    22 S   O    _O2_    23     1.23085   122.21385  -149.79709
   24    20 S   CT   _CB2    32     1.53496   111.62908   128.57289
   25    24 S   HC   HB21    33     1.09468   109.44086    57.12208
   26    24 S   HC   HB22    34     1.09371   109.61209   175.93071
   27    22 S   N    _N3_    24     1.38307   113.88155    37.75704
   28    27 S   H    _HN3    25     1.01549   119.58932    -3.44980
   29    24 S   S    _SG2    35     1.83258   110.97320   -63.90879
   30    27 S   CT   _CA3    26     1.45281   123.28223   177.13297
   31    30 S   HC   HA31    27     1.09548   107.51726   -64.59874
   32    30 S   HC   HA32    28     1.09555   107.98887    51.85869
   33    29 S   CT   _C18    36     1.92156   102.28628  -178.16987
   34    30 S   CO3  _C3_    29     1.52975   114.04243   173.84336
   35    34 S   O2Z  _O31    30     1.26383   116.06810    -0.67666
   36    34 S   O2Z  _O32    31     1.26424   114.41898   179.38898
   37    33 S   CM   _C5_    37     1.51454   104.51967    64.82033
   38    37 S   HC   _H25    38     1.08759   118.47806   -83.61179
   39    33 S   CM   _C6_    72     1.51106   105.10450   -56.29763
   40    39 S   HC   _H26    73     1.08967   117.34380    89.14923
   41    37 S   CM   _C4_    39     1.34389   123.40092    95.17210
   42    41 S   HC   _H24    40     1.08634   117.50992   178.45326
   43    41 S   CT   _C15    41     1.51459   124.40823     3.66773
   44    43 S   HC   _H39    42     1.09712   104.39645   107.42031
   45    43 S   CT   _C16    43     1.55146   115.61388  -135.04595
   46    45 S   HC   _H40    44     1.10141   107.62235    69.60486
   47    43 S   CT   _C17    61     1.56466   112.37229   -10.20058
   48    47 S   HC   _H41    62     1.09803   107.33474   -77.06035
   49    45 S   CT   _C12    45     1.52630   115.54070   -48.46165
   50    49 S   HC   _H33    46     1.09531   111.18370    58.53855
   51    49 S   HC   _H34    47     1.09551   110.96836   -59.45921
   52    33 S   CT   _C19    63     1.58648   112.64812  -175.71486
   53    49 S   CT   _C10    48     1.52020   110.16131   177.97687
   54    53 S   HC   _H29    49     1.09698   109.01798   -79.26359
   55    53 S   HC   _H30    50     1.09590   108.70462   163.66292
   56    52 S   CT   _C11    64     1.54826   107.81219    59.71279
   57    56 S   HC   _H31    65     1.09641   110.67639   -67.94784
   58    56 S   HC   _H32    66     1.09733   110.71846   175.96017
   59    52 S   CT   _C21    74     1.56607   112.25235   177.17686
   60    59 S   HC   _H42    75     1.09298   113.13895    58.48081
   61    59 S   HC   _H43    76     1.09361   113.02093   -61.71954
   62    59 S   HC   _H44    77     1.09529   110.81279   179.17718
   63    53 S   CO4  _C8_    51     1.50900   116.66185    41.06603
   64    63 S   O    _O21    52     1.22895   121.11261   160.26622
   65    56 S   CT   _C9_    67     1.54558   113.05847    54.71490
   66    65 S   HC   _H27    68     1.09987   107.51976  -151.01793
   67    65 S   HC   _H28    69     1.10119   106.81338    95.56318
   68    63 S   OS   _O22    53     1.35441   117.33633   -26.24227
   69    65 S   CMA  _C7_    70     1.53326   117.38320   -26.41343
   70    69 S   OM   _O20    71     1.26207   111.17043   177.92114
   71    45 S   CT   _C20    54     1.54932   110.96363  -172.42254
   72    71 S   CT   _C14    55     1.54198   109.79679   -56.54059
   73    72 S   HC   _H37    56     1.09886   109.04709   -68.25275
   74    72 S   HC   _H38    57     1.09755   110.36248   176.99580
   75    71 S   CT   _C22    78     1.54341   115.06952    66.94975
   76    75 S   HC   _H45    79     1.09457   112.03903    63.79500
   77    75 S   HC   _H46    80     1.09248   113.15720   -58.86484
   78    75 S   HC   _H47    81     1.09704   110.14821  -179.44539
   79    72 S   CT   _C13    58     1.53315   113.32805    53.50904
   80    79 S   HC   _H35    59     1.09461   109.89884    68.00725
   81    79 S   HC   _H36    60     1.09504   107.93296  -175.70331
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  21   2   1   1  13   5  11   4  11   4  19   8  21   9  18   7
  11   6   5  15   6   4   3  12   6   5   5   2   1   1   5   2
   4   3   2   9   1   1  10   9   5   4   4   2   1   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    52    56    69    39    40    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    79    47    48    52    56    57    58    65    69    70    39    40    59    60    61    62  
   35    36  
   36  
    0  
   38    41    42    43    44    45    47    52    56    69    39    40    59  
   41    42    43    52    39  
   40    59    41    47    52    56    65    66    67    69    70  
   52    65    69    70  
   42    43    44    45    46    49    71    79    47    48    52  
   43    44    45    47  
   44    45    46    49    50    51    53    68    71    72    79    80    81    47    48    52    56    59    75  
   45    46    49    71    79    47    48    52  
   46    49    50    51    53    54    55    63    68    71    72    73    74    79    47    48    52    75    76    77    78  
   49    50    51    53    68    71    72    47    75  
   48    52    56    57    58    65    59    60    61    62    49    71    72    73    74    79    80    81  
   52    56    59    72    79    80    81  
   50    51    53    54    55    63    64    68    71    72    75  
   51    53    54    55    63    71  
   53    54    55    63    71  
   56    57    58    65    66    67    69    59    60    61    62    72    79    80    81  
   54    55    63    64    68    71  
   55    63    64    68  
   63    64    68  
   57    58    65    66    67    69    70    59    60    61    62    79  
   58    65    66    67    69    59  
   65    66    67    69    59  
   60    61    62    65    79  
   61    62  
   62  
    0  
   64    68    71    72    75  
   68    71  
   66    67    69    70  
   67    69    70  
   69    70  
   71    72    73    74    79    75    76    77    78  
   70  
    0  
   72    73    74    79    80    81    75    76    77    78  
   73    74    79    80    81    75    76    77    78  
   74    79    80    81    75  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    71   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   317.000  1.522
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    71   320.000  1.410
   71    72   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   270.000  1.512
   69    70   745.000  1.250
   69    39   465.000  1.376
   39    40   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    52    47    58.35000  112.70000
   33    52    56    58.35000  112.70000
   33    52    59    58.35000  112.70000
   33    39    69    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    35.00000  120.00000
   37    41    43    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.02700
   41    43    47    70.00000  112.02700
   43    41    42    35.00000  117.00000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    45    71    58.35000  112.70000
   43    47    79    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    52    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    71    68    50.00000  109.50000
   45    71    72    58.35000  112.70000
   45    71    75    58.35000  112.70000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    63    63.00000  111.10000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    63    64    80.00000  120.40000
   53    63    68    81.00000  111.40000
   55    53    54    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    55    35.00000  109.50000
   63    68    71    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    71    72    50.00000  109.50000
   68    71    75    50.00000  109.50000
   71    45    46    37.50000  110.70000
   71    45    49    58.35000  112.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    47    58.35000  112.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    47    48    37.50000  110.70000
   79    47    52    58.35000  112.70000
   81    79    80    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    79    80    37.50000  110.70000
   47    79    81    37.50000  110.70000
   47    52    56    58.35000  112.70000
   47    52    59    58.35000  112.70000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    65    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    69    70.00000  112.02700
   58    56    57    33.00000  107.80000
   65    56    57    37.50000  110.70000
   65    56    58    37.50000  110.70000
   65    69    70    85.00000  112.85300
   65    69    39    65.00000  122.18000
   67    65    66    33.00000  107.80000
   69    65    66    45.00000  110.52000
   69    65    67    45.00000  110.52000
   69    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    52    70.00000  112.02700
   39    69    70    65.00000  137.10300
   59    52    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   75    71    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   29    33    52    59   0.44750  1.0 1.0
   29    33    52    59  -0.17800 -1.0 2.0
   29    33    52    59   0.20200  1.0 3.0
   29    33    39    69   0.42700  1.0 1.0
   29    33    39    69  -0.70350 -1.0 2.0
   29    33    39    69  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    65   0.56750  1.0 1.0
   33    52    56    65  -0.07550 -1.0 2.0
   33    52    56    65   0.20000  1.0 3.0
   33    52    59    60   0.15000  1.0 3.0
   33    52    59    61   0.15000  1.0 3.0
   33    52    59    62   0.15000  1.0 3.0
   37    33    52    47   0.34400  1.0 1.0
   37    33    52    47   0.09450 -1.0 2.0
   37    33    52    47   0.11100  1.0 3.0
   37    33    52    56   0.34400  1.0 1.0
   37    33    52    56   0.09450 -1.0 2.0
   37    33    52    56   0.11100  1.0 3.0
   37    33    52    59   0.34400  1.0 1.0
   37    33    52    59   0.09450 -1.0 2.0
   37    33    52    59   0.11100  1.0 3.0
   37    33    39    69  -0.28300  1.0 1.0
   37    33    39    69   0.26700 -1.0 2.0
   37    33    39    69  -0.63300  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    43    44   0.00000  1.0 1.0
   37    41    43    45   0.09850  1.0 1.0
   37    41    43    45   0.15250 -1.0 2.0
   37    41    43    45  -0.50650  1.0 3.0
   37    41   -43    47   0.09850  1.0 1.0
   37    41   -43    47   0.15250 -1.0 2.0
   37    41   -43    47  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    49   0.34400  1.0 1.0
   41    43    45    49   0.09450 -1.0 2.0
   41    43    45    49   0.11100  1.0 3.0
   41    43    45    71   0.34400  1.0 1.0
   41    43    45    71   0.09450 -1.0 2.0
   41    43    45    71   0.11100  1.0 3.0
   41    43    47    79   0.34400  1.0 1.0
   41    43    47    79   0.09450 -1.0 2.0
   41    43    47    79   0.11100  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    52   0.34400  1.0 1.0
   41    43    47    52   0.09450 -1.0 2.0
   41    43    47    52   0.11100  1.0 3.0
   42    41    43    44   0.33100  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    45    71    68   0.62750  1.0 1.0
   43    45    71    68  -0.30950 -1.0 2.0
   43    45    71    68   0.27300  1.0 3.0
   43    45    71    72   0.56750  1.0 1.0
   43    45    71    72  -0.07550 -1.0 2.0
   43    45    71    72   0.20000  1.0 3.0
   43    45    71    75   0.56750  1.0 1.0
   43    45    71    75  -0.07550 -1.0 2.0
   43    45    71    75   0.20000  1.0 3.0
   43    47   -52    33   0.56750  1.0 1.0
   43    47   -52    33  -0.07550 -1.0 2.0
   43    47   -52    33   0.20000  1.0 3.0
   43    47    52    56   0.56750  1.0 1.0
   43    47    52    56  -0.07550 -1.0 2.0
   43    47    52    56   0.20000  1.0 3.0
   43    47    52    59   0.56750  1.0 1.0
   43    47    52    59  -0.07550 -1.0 2.0
   43    47    52    59   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    71   0.15000  1.0 3.0
   44    43    47    79   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    43    47    79   0.56750  1.0 1.0
   45    43    47    79  -0.07550 -1.0 2.0
   45    43    47    79   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.56750  1.0 1.0
   45    43    47    52  -0.07550 -1.0 2.0
   45    43    47    52   0.20000  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    63  -0.95700  1.0 1.0
   45    49    53    63  -0.18200 -1.0 2.0
   45    49    53    63   0.29450  1.0 3.0
   45    71    72    73   0.15000  1.0 3.0
   45    71    72    74   0.15000  1.0 3.0
   45    71   -72    79   0.56750  1.0 1.0
   45    71   -72    79  -0.07550 -1.0 2.0
   45    71   -72    79   0.20000  1.0 3.0
   45    71    75    76   0.15000  1.0 3.0
   45    71    75    77   0.15000  1.0 3.0
   45    71    75    78   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    71    68   0.23400  1.0 3.0
   46    45    71    72   0.15000  1.0 3.0
   46    45    71    75   0.15000  1.0 3.0
   49    45    71    68   0.62750  1.0 1.0
   49    45    71    68  -0.30950 -1.0 2.0
   49    45    71    68   0.27300  1.0 3.0
   49    45    71    72   0.56750  1.0 1.0
   49    45    71    72  -0.07550 -1.0 2.0
   49    45    71    72   0.20000  1.0 3.0
   49    45    71    75   0.56750  1.0 1.0
   49    45    71    75  -0.07550 -1.0 2.0
   49    45    71    75   0.20000  1.0 3.0
   49    53    63    64   0.30150 -1.0 2.0
   49    53   -63    68   0.36750  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    63  -0.11250  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    63  -0.11250  1.0 3.0
   53    63    68    71   1.63150  1.0 1.0
   53    63    68    71   2.92000 -1.0 2.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    68   0.00000  1.0 1.0
   55    53    63    64   0.00000  1.0 1.0
   55    53    63    68   0.00000  1.0 1.0
   63    68   -71    45  -0.25900  1.0 1.0
   63    68   -71    45  -0.47000 -1.0 2.0
   63    68   -71    45   0.11750  1.0 3.0
   63    68    71    72  -0.25900  1.0 1.0
   63    68    71    72  -0.47000 -1.0 2.0
   63    68    71    72   0.11750  1.0 3.0
   63    68    71    75  -0.25900  1.0 1.0
   63    68    71    75  -0.47000 -1.0 2.0
   63    68    71    75   0.11750  1.0 3.0
   64    63    68    71   3.00000 -1.0 2.0
   68    71    72    73   0.23400  1.0 3.0
   68    71    72    74   0.23400  1.0 3.0
   68    71    72    79   0.62750  1.0 1.0
   68    71    72    79  -0.30950 -1.0 2.0
   68    71    72    79   0.27300  1.0 3.0
   68    71    75    76   0.23400  1.0 3.0
   68    71    75    77   0.23400  1.0 3.0
   68    71    75    78   0.23400  1.0 3.0
   71    45    49    50   0.15000  1.0 3.0
   71    45    49    51   0.15000  1.0 3.0
   71    45   -49    53   0.56750  1.0 1.0
   71    45   -49    53  -0.07550 -1.0 2.0
   71    45   -49    53   0.20000  1.0 3.0
   71    72    79    80   0.15000  1.0 3.0
   71    72    79    81   0.15000  1.0 3.0
   71    72    79    47   0.56750  1.0 1.0
   71    72    79    47  -0.07550 -1.0 2.0
   71    72    79    47   0.20000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    79   -47    43   0.56750  1.0 1.0
   72    79   -47    43  -0.07550 -1.0 2.0
   72    79   -47    43   0.20000  1.0 3.0
   72    79    47    48   0.15000  1.0 3.0
   72    79    47    52   0.56750  1.0 1.0
   72    79    47    52  -0.07550 -1.0 2.0
   72    79    47    52   0.20000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    47   0.15000  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    81   0.15000  1.0 3.0
   74    72    79    47   0.15000  1.0 3.0
   79    47    52    33   0.56750  1.0 1.0
   79    47    52    33  -0.07550 -1.0 2.0
   79    47    52    33   0.20000  1.0 3.0
   79    47    52    56   0.56750  1.0 1.0
   79    47    52    56  -0.07550 -1.0 2.0
   79    47    52    56   0.20000  1.0 3.0
   79    47    52    59   0.56750  1.0 1.0
   79    47    52    59  -0.07550 -1.0 2.0
   79    47    52    59   0.20000  1.0 3.0
   80    79    47    43   0.15000  1.0 3.0
   80    79    47    48   0.15000  1.0 3.0
   80    79    47    52   0.15000  1.0 3.0
   81    79    47    43   0.15000  1.0 3.0
   81    79    47    48   0.15000  1.0 3.0
   81    79    47    52   0.15000  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    43   -45    71   0.56750  1.0 1.0
   47    43   -45    71  -0.07550 -1.0 2.0
   47    43   -45    71   0.20000  1.0 3.0
   47    52    56    57   0.15000  1.0 3.0
   47    52    56    58   0.15000  1.0 3.0
   47    52    56    65   0.56750  1.0 1.0
   47    52    56    65  -0.07550 -1.0 2.0
   47    52    56    65   0.20000  1.0 3.0
   47    52    59    60   0.15000  1.0 3.0
   47    52    59    61   0.15000  1.0 3.0
   47    52    59    62   0.15000  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    56   0.15000  1.0 3.0
   48    47    52    59   0.15000  1.0 3.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    41   0.09850  1.0 1.0
   52    33   -37    41   0.15250 -1.0 2.0
   52    33   -37    41  -0.50650  1.0 3.0
   52    33    39    69   0.09850  1.0 1.0
   52    33    39    69   0.15250 -1.0 2.0
   52    33    39    69  -0.50650  1.0 3.0
   52    33    39    40   0.00000  1.0 1.0
   52    56    65    66   0.15000  1.0 3.0
   52    56    65    67   0.15000  1.0 3.0
   52    56   -65    69   0.34400  1.0 1.0
   52    56   -65    69   0.09450 -1.0 2.0
   52    56   -65    69   0.11100  1.0 3.0
   56    52    59    60   0.15000  1.0 3.0
   56    52    59    61   0.15000  1.0 3.0
   56    52    59    62   0.15000  1.0 3.0
   56    65    69    70   0.09700  1.0 1.0
   56    65    69    70   0.15600 -1.0 2.0
   56    65    69    70  -0.50800  1.0 3.0
   56    65    69    39   0.09850  1.0 1.0
   56    65    69    39   0.15250 -1.0 2.0
   56    65    69    39  -0.50650  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    69   0.15000  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    56    65    67   0.15000  1.0 3.0
   58    56    65    69   0.15000  1.0 3.0
   65    69   -39    33   7.00000 -1.0 2.0
   65    69    39    40   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    39   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   67    65    69    39   0.00000  1.0 1.0
   70    69    39    33   7.00000 -1.0 2.0
   70    69    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    52    47   0.34400  1.0 1.0
   39    33    52    47   0.09450 -1.0 2.0
   39    33    52    47   0.11100  1.0 3.0
   39    33   -52    56   0.34400  1.0 1.0
   39    33   -52    56   0.09450 -1.0 2.0
   39    33   -52    56   0.11100  1.0 3.0
   39    33    52    59   0.34400  1.0 1.0
   39    33    52    59   0.09450 -1.0 2.0
   39    33    52    59   0.11100  1.0 3.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   59    52    56    65   0.56750  1.0 1.0
   59    52    56    65  -0.07550 -1.0 2.0
   59    52    56    65   0.20000  1.0 3.0
   75    71    72    73   0.15000  1.0 3.0
   75    71    72    74   0.15000  1.0 3.0
   75    71    72    79   0.56750  1.0 1.0
   75    71    72    79  -0.07550 -1.0 2.0
   75    71    72    79   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   53    68    63    64  10.50000 -1.0 2.0
   65    70    69    39   1.10000 -1.0 2.0
   33    40    39    69   1.10000 -1.0 2.0
END
