* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     480
    1     0 S   NP   _N1_     1    29.04706    94.44382   -25.11379
    2     1 S   H    _HN1     2     1.02783   116.06128   -88.96386
    3     1 S   H    _H1_     3     1.02952    80.53299    16.93522
    4     1 S   H    _H2_     4     1.02831    26.58553  -166.62578
    5     1 S   CT   _CA1     5     1.50113   123.44130   125.21441
    6     5 S   HC   _HA1     6     1.09573   105.21136    85.57776
    7     5 S   CO3  _C1_     7     1.53793   112.41727   -34.67873
    8     7 S   O2Z  _O11     8     1.26372   114.99846   -43.23051
    9     7 S   O2Z  _O12     9     1.26236   114.94627   135.91097
   10     5 S   CT   _CB1    10     1.53088   107.43599  -156.43278
   11    10 S   HC   HB11    11     1.09831   109.39763   -49.76149
   12    10 S   HC   HB12    12     1.09816   110.43970    66.84928
   13    10 S   CT   _CG1    13     1.52995   112.59735  -170.74942
   14    13 S   HC   HG11    14     1.09586   110.59001   -64.84320
   15    13 S   HC   HG12    15     1.09667   109.83678    54.39200
   16    13 S   C    _CD1    16     1.51792   112.25415   174.85121
   17    16 S   O    _OE1    17     1.22739   123.28040     5.17805
   18    16 S   N    _N2_    18     1.38645   111.65869  -175.05755
   19    18 S   H    _HN2    19     1.01590   119.02100     1.15284
   20    18 S   CT1  _CA2    20     1.46101   123.33258   178.33505
   21    20 S   HC   _HA2    21     1.09579   109.28903    -3.85641
   22    20 S   C    _C2_    22     1.53470   108.61748  -118.89588
   23    22 S   O    _O2_    23     1.23035   122.30230  -148.70609
   24    20 S   CT   _CB2    32     1.53285   111.74941   118.56786
   25    24 S   HC   HB21    33     1.09649   109.68320    61.89036
   26    24 S   HC   HB22    34     1.09520   110.93814   179.29835
   27    22 S   N    _N3_    24     1.38353   113.57974    38.82737
   28    27 S   H    _HN3    25     1.01614   119.52163    -3.65339
   29    24 S   S    _SG2    35     1.82831   114.38549   -57.86800
   30    27 S   CT   _CA3    26     1.45282   123.17341   176.95573
   31    30 S   HC   HA31    27     1.09550   107.54218   -63.65082
   32    30 S   HC   HA32    28     1.09557   107.93998    52.76964
   33    29 S   CT   _C21    36     1.82727    99.87987   -67.93259
   34    33 S   HC   _H3_    37     1.09402   108.79639    62.97218
   35    33 S   HC   _H4_    38     1.09496   107.90901   -53.62620
   36    30 S   CO3  _C3_    29     1.52948   114.10066   174.74853
   37    36 S   O2Z  _O31    30     1.26375   116.05955    -0.42382
   38    36 S   O2Z  _O32    31     1.26429   114.41699   179.62991
   39    33 S   CT   _C22    39     1.53717   113.61923  -175.75628
   40    39 S   HC   _H50    40     1.09884   107.89065   178.38311
   41    39 S   CO4  _C9_    41     1.52217   112.05841    61.95311
   42    41 S   O    _O21    42     1.22354   124.92653  -118.88619
   43    39 S   CT   _C20    83     1.53023   112.84249   -64.42159
   44    43 S   HC   _H45    84     1.09482   112.27931    67.58102
   45    43 S   HC   _H46    85     1.09591   110.38965  -173.11872
   46    43 S   HC   _H47    86     1.09501   110.87966   -53.73543
   47    41 S   OS   _O26    43     1.36517   109.46956    62.14760
   48    47 S   CT   _C15    44     1.45460   117.82456  -178.65710
   49    48 S   HC   _H38    45     1.09724   109.25653    29.99470
   50    48 S   CT   _C11    46     1.54760   106.20744   -88.28019
   51    50 S   HC   _H33    47     1.09623   108.08432   -51.48948
   52    50 S   HC   _H34    48     1.09930   108.72654    59.25845
   53    48 S   CT   _C13    61     1.55448   107.63309   147.12383
   54    53 S   HC   _H36    62     1.09417   109.62185  -167.46836
   55    50 S   CT   _C17    49     1.54515   117.74038  -176.84793
   56    53 S   CM   _C6_    63     1.49327   113.18011   -48.71436
   57    55 S   CT   _C14    50     1.53812   110.49853   156.80203
   58    57 S   HC   _H37    51     1.09452   113.02011    35.18636
   59    56 S   CO4  _C7_    64     1.46884   110.12985   114.42802
   60    59 S   O    _O20    65     1.21756   126.97208  -175.80950
   61    56 S   CM   _C8_    67     1.33631   127.94798   -66.33678
   62    61 S   HC   _H29    68     1.08497   120.80843     0.45671
   63    61 S   HC   _H30    69     1.08515   121.79695  -179.66957
   64    55 S   CT   _C19    79     1.52889   110.21991   -76.23972
   65    64 S   HC   _H42    80     1.09580   111.31475   173.36966
   66    64 S   HC   _H43    81     1.09556   111.02446    55.97437
   67    64 S   HC   _H44    82     1.09460   111.49256   -65.07952
   68    57 S   CT   _C10    52     1.52286   102.38780   -86.62560
   69    68 S   HC   _H31    53     1.09588   109.51261    83.10619
   70    68 S   HC   _H32    54     1.09518   112.71019  -155.80816
   71    85 S   OS   _O22    66     1.45094   107.56692   175.01104
   72    57 S   OH   _O24    77     1.42418   111.43991   156.43382
   73    72 S   HO   _H51    78     0.97235   107.66290   173.67402
   74    68 S   CO   _C16    55     1.53012   102.41734   -34.93620
   75    74 S   CM   _C5_    56     1.52777   113.56775   150.37337
   76    55 S   OS   _O23    74     1.43402   109.19886    41.64923
   77    74 S   OH   _O25    75     1.43104   107.74556   -86.91846
   78    77 S   HO   _H52    76     0.97167   107.12091  -176.08483
   79    75 S   CM   _C4_    57     1.35347   127.24714   -84.70800
   80    79 S   HC   _H28    58     1.09133   116.46614  -179.89532
   81    75 S   CT   _C18    70     1.51552   115.15695    93.18979
   82    81 S   HC   _H39    71     1.09526   110.24544   -50.70770
   83    81 S   HC   _H40    72     1.09549   112.60555  -170.04225
   84    81 S   HC   _H41    73     1.09449   110.74559    69.85709
   85    79 S   CT   _C12    59     1.51076   130.20765     6.94314
   86    85 S   HC   _H35    60     1.09284   107.21657    63.46349
  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
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  17
   8  17   6   5  14   7  15   9  14   8   8   3   4   1   1   7
   3   2   1  11   6   5   5   3   1  11  11   4   3   1   7   3
   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    85    53    54    56  
   49    50    51    52    55    57    79    85    86    53    54    56    59    71    61    76    64  
   50    51    52    55    85    53    54    56  
   51    52    55    57    58    68    74    85    53    54    56    76    72    64    65    66    67  
   52    55    57    53    76    64  
   55    57    53    76    64  
   54    56    59    60    71    61    62    63    55    75    79    80    85    86  
   56    59    71    61    79    85    86  
   57    58    68    69    70    74    75    76    77    72    73    64    65    66    67  
   59    60    71    61    62    63    79    85    86  
   58    68    69    70    74    75    76    77    72    73    64    65    66    67  
   68    69    70    74    76    72    73    64  
   60    71    61    62    63    79    85    86  
   71    61    85  
   62    63    71    85  
   63  
    0  
   65    66    67    68    72    74    76  
   66    67    76  
   67    76  
   76  
   69    70    74    75    79    81    76    77    78    72    73  
   70    74    75    76    77    72  
   74    75    76    77    72  
   75    79    80    85    86  
   73    74    76  
    0  
   75    79    80    85    81    82    83    84    76    77    78  
   79    80    85    86    81    82    83    84    76    77    78  
   77    78    79    81  
   78    79    81  
    0  
   80    85    86    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    57   268.000  1.529
   55    76   320.000  1.410
   55    64   268.000  1.529
   57    58   340.000  1.090
   57    68   268.000  1.529
   57    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   250.000  1.527
   74    75   317.000  1.510
   74    76   320.000  1.380
   74    77   380.000  1.407
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    53   268.000  1.529
   85    71   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    71   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   553.000  0.945
   72    73   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    85    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    58.35000  112.70000
   50    55    76    50.00000  109.50000
   50    55    64    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    68    58.35000  112.70000
   55    57    72    50.00000  109.50000
   55    76    74    60.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   57    68    74    75.00000  109.43000
   57    72    73    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    74    75    70.00000  112.02700
   68    74    76    90.00000  108.56700
   68    74    77    90.00000  110.19100
   70    68    69    33.00000  107.80000
   74    68    69    45.00000  108.72000
   74    68    70    45.00000  108.72000
   74    75    79    70.00000  124.00000
   74    75    81    65.00000  117.92700
   74    77    78    70.00000  107.92000
   75    79    80    35.00000  120.00000
   75    79    85    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    53    70.00000  112.02700
   79    85    71    85.00000  110.90400
   85    79    80    35.00000  117.00000
   85    53    54    37.50000  110.70000
   85    53    56    70.00000  112.02700
   85    71    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    85    86    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    71    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   71    85    86    35.00000  109.50000
   71    85    53    50.00000  109.50000
   71    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    55    57    50.00000  109.50000
   76    74    75    85.00000  110.90400
   77    74    75    90.00000  110.39200
   77    74    76   110.00000  112.08000
   72    57    58    35.00000  109.50000
   72    57    68    50.00000  109.50000
   64    55    57    58.35000  112.70000
   64    55    76    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.62750  1.0 1.0
   47    48    50    55  -0.30950 -1.0 2.0
   47    48    50    55   0.27300  1.0 3.0
   47    48    53    85   0.62750  1.0 1.0
   47    48    53    85  -0.30950 -1.0 2.0
   47    48    53    85   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.56750  1.0 1.0
   48    50    55    57  -0.07550 -1.0 2.0
   48    50    55    57   0.20000  1.0 3.0
   48    50    55    76   0.62750  1.0 1.0
   48    50    55    76  -0.30950 -1.0 2.0
   48    50    55    76   0.27300  1.0 3.0
   48    50    55    64   0.56750  1.0 1.0
   48    50    55    64  -0.07550 -1.0 2.0
   48    50    55    64   0.20000  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    85   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    85   0.56750  1.0 1.0
   50    48    53    85  -0.07550 -1.0 2.0
   50    48    53    85   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    68   0.56750  1.0 1.0
   50    55    57    68  -0.07550 -1.0 2.0
   50    55    57    68   0.20000  1.0 3.0
   50    55    57    72   0.86500  1.0 1.0
   50    55    57    72  -0.17500 -1.0 2.0
   50    55    57    72   0.20800  1.0 3.0
   50    55    76    74   0.06250  1.0 1.0
   50    55    76    74  -0.01100 -1.0 2.0
   50    55    76    74   0.28050  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    66   0.15000  1.0 3.0
   50    55    64    67   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    76   0.23400  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    76   0.23400  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   55    57    68    69   0.15000  1.0 3.0
   55    57    68    70   0.15000  1.0 3.0
   55    57   -68    74   3.97050  1.0 1.0
   55    57    72    73  -0.11600  1.0 1.0
   55    57    72    73  -0.09450 -1.0 2.0
   55    57    72    73   0.21250  1.0 3.0
   57    55   -76    74   0.06250  1.0 1.0
   57    55   -76    74  -0.01100 -1.0 2.0
   57    55   -76    74   0.28050  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    66   0.15000  1.0 3.0
   57    55    64    67   0.15000  1.0 3.0
   57    68    74    75   0.34400  1.0 1.0
   57    68    74    75   0.09450 -1.0 2.0
   57    68    74    75   0.11100  1.0 3.0
   57    68   -74    76   0.62750  1.0 1.0
   57    68   -74    76  -0.30950 -1.0 2.0
   57    68   -74    76   0.27300  1.0 3.0
   57    68    74    77   0.86500  1.0 1.0
   57    68    74    77  -0.17500 -1.0 2.0
   57    68    74    77   0.20800  1.0 3.0
   58    57    68    69   0.15000  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    74   0.15000  1.0 3.0
   58    57    72    73   0.19450  1.0 3.0
   68    57    72    73  -0.11600  1.0 1.0
   68    57    72    73  -0.09450 -1.0 2.0
   68    57    72    73   0.21250  1.0 3.0
   68    74    75    79   0.09850  1.0 1.0
   68    74    75    79   0.15250 -1.0 2.0
   68    74    75    79  -0.50650  1.0 3.0
   68    74    75    81   0.46850  1.0 1.0
   68    74    75    81   0.08550 -1.0 2.0
   68    74    75    81   0.09800  1.0 3.0
   68    74   -76    55   0.06250  1.0 1.0
   68    74   -76    55  -0.01100 -1.0 2.0
   68    74   -76    55   0.28050  1.0 3.0
   68    74    77    78  -0.11600  1.0 1.0
   68    74    77    78  -0.09450 -1.0 2.0
   68    74    77    78   0.21250  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.23400  1.0 3.0
   69    68    74    77   0.23400  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.23400  1.0 3.0
   70    68    74    77   0.23400  1.0 3.0
   74    75    79    80   7.00000 -1.0 2.0
   74    75    79    85   7.00000 -1.0 2.0
   74    75    81    82   0.34800  1.0 3.0
   74    75    81    83   0.34800  1.0 3.0
   74    75    81    84   0.34800  1.0 3.0
   75    74    76    55  -0.77900  1.0 1.0
   75    74    76    55  -0.36900 -1.0 2.0
   75    74    76    55   0.40400  1.0 3.0
   75    74    77    78  -0.07800  1.0 1.0
   75    74    77    78  -0.21500 -1.0 2.0
   75    74    77    78  -0.03150  1.0 3.0
   75    79    85    86   0.00000  1.0 1.0
   75    79    85    53   0.09850  1.0 1.0
   75    79    85    53   0.15250 -1.0 2.0
   75    79    85    53  -0.50650  1.0 3.0
   75    79    85    71   0.39000  1.0 1.0
   75    79    85    71  -0.05800 -1.0 2.0
   75    79    85    71  -0.55150  1.0 3.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   79    85    53    48   0.34400  1.0 1.0
   79    85    53    48   0.09450 -1.0 2.0
   79    85    53    48   0.11100  1.0 3.0
   79    85    53    54   0.15000  1.0 3.0
   79    85    53    56   0.31000  1.0 1.0
   79    85    53    56   0.14700 -1.0 2.0
   79    85    53    56   0.07550  1.0 3.0
   79    85    71    59  -0.82050  1.0 1.0
   79    85    71    59   0.00600 -1.0 2.0
   79    85    71    59   0.04400  1.0 3.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    53   0.00000  1.0 1.0
   80    79    85    71   0.00000  1.0 1.0
   85    53   -56    59   0.09700  1.0 1.0
   85    53   -56    59   0.15600 -1.0 2.0
   85    53   -56    59  -0.50800  1.0 3.0
   85    53    56    61   0.09850  1.0 1.0
   85    53    56    61   0.15250 -1.0 2.0
   85    53    56    61  -0.50650  1.0 3.0
   86    85    53    48   0.15000  1.0 3.0
   86    85    53    54   0.15000  1.0 3.0
   86    85    53    56   0.15000  1.0 3.0
   86    85    71    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.56750  1.0 1.0
   53    48    50    55  -0.07550 -1.0 2.0
   53    48    50    55   0.20000  1.0 3.0
   53    85   -71    59  -0.25900  1.0 1.0
   53    85   -71    59  -0.47000 -1.0 2.0
   53    85   -71    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    71  -0.15000  1.0 1.0
   53    56   -59    71   0.89550 -1.0 2.0
   53    56   -59    71  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -71    85   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    71    85   3.00000 -1.0 2.0
   71    85    53    48   0.62750  1.0 1.0
   71    85    53    48  -0.30950 -1.0 2.0
   71    85    53    48   0.27300  1.0 3.0
   71    85    53    54   0.23400  1.0 3.0
   71    85   -53    56   0.61850  1.0 1.0
   71    85   -53    56  -0.22750 -1.0 2.0
   71    85   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    71  -0.56150  1.0 1.0
   61    56    59    71   2.19150 -1.0 2.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    85   7.00000 -1.0 2.0
   76    55    57    58   0.23400  1.0 3.0
   76    55   -57    68   0.62750  1.0 1.0
   76    55   -57    68  -0.30950 -1.0 2.0
   76    55   -57    68   0.27300  1.0 3.0
   76    55    57    72   3.69350  1.0 1.0
   76    55    57    72  -1.82950 -1.0 2.0
   76    55    64    65   0.23400  1.0 3.0
   76    55    64    66   0.23400  1.0 3.0
   76    55    64    67   0.23400  1.0 3.0
   76    74    75    79   0.39000  1.0 1.0
   76    74    75    79  -0.05800 -1.0 2.0
   76    74    75    79  -0.55150  1.0 3.0
   76    74    75    81   0.09700  1.0 1.0
   76    74    75    81   0.15600 -1.0 2.0
   76    74    75    81  -0.50800  1.0 3.0
   76    74    77    78  -0.50000  1.0 1.0
   76    74    77    78  -0.73950 -1.0 2.0
   76    74    77    78   0.17150  1.0 3.0
   77    74    75    79   0.67800  1.0 1.0
   77    74    75    79   0.47050 -1.0 2.0
   77    74    75    79  -0.62500  1.0 3.0
   77    74    75    81   0.18000  1.0 1.0
   77    74    75    81   0.16450 -1.0 2.0
   77    74    75    81   0.04450  1.0 3.0
   77    74    76    55  -0.70900  1.0 1.0
   77    74    76    55  -1.18000 -1.0 2.0
   77    74    76    55   0.91650  1.0 3.0
   72    57    68    69   0.23400  1.0 3.0
   72    57    68    70   0.23400  1.0 3.0
   72    57    68    74   0.86500  1.0 1.0
   72    57    68    74  -0.17500 -1.0 2.0
   72    57    68    74   0.20800  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    68   0.56750  1.0 1.0
   64    55    57    68  -0.07550 -1.0 2.0
   64    55    57    68   0.20000  1.0 3.0
   64    55    57    72   0.86500  1.0 1.0
   64    55    57    72  -0.17500 -1.0 2.0
   64    55    57    72   0.20800  1.0 3.0
   64    55    76    74   0.06250  1.0 1.0
   64    55    76    74  -0.01100 -1.0 2.0
   64    55    76    74   0.28050  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   74    81    75    79   1.10000 -1.0 2.0
   85    80    79    75   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    71    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
