* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    166    273     499
    1     0 S   NP   _N1_     1    28.77133    94.75300   -20.44415
    2     1 S   H    _HN1     2     1.02774    84.90834   -77.31662
    3     1 S   H    _H1_     3     1.02961    93.13326    30.85746
    4     1 S   H    _H2_     4     1.02829    33.02963   147.91793
    5     1 S   CT   _CA1     5     1.50213   143.17463   161.66966
    6     5 S   HC   _HA1     6     1.09580   105.15519    51.35168
    7     5 S   CO3  _C1_     7     1.53875   112.12043   -68.67314
    8     7 S   O2Z  _O11     8     1.26401   114.98230   -44.43697
    9     7 S   O2Z  _O12     9     1.26246   114.88995   134.02631
   10     5 S   CT   _CB1    10     1.53054   107.32124   169.15868
   11    10 S   HC   HB11    11     1.09825   109.37290   -48.87600
   12    10 S   HC   HB12    12     1.09828   110.40136    67.69467
   13    10 S   CT   _CG1    13     1.53017   112.73314  -169.96926
   14    13 S   HC   HG11    14     1.09494   110.28509   -61.46216
   15    13 S   HC   HG12    15     1.09633   110.16849    57.58065
   16    13 S   C    _CD1    16     1.51886   112.01297   177.49704
   17    16 S   O    _OE1    17     1.22782   123.08218   -13.01614
   18    16 S   N    _N2_    18     1.38552   111.93636   167.89457
   19    18 S   H    _HN2    19     1.01709   118.99206    -1.67140
   20    18 S   CT1  _CA2    20     1.46255   123.48477  -177.95206
   21    20 S   HC   _HA2    21     1.09732   109.25219    -9.01835
   22    20 S   C    _C2_    22     1.53405   108.89084  -124.85853
   23    22 S   O    _O2_    23     1.23044   122.10073  -149.07787
   24    20 S   CT   _CB2    32     1.53644   111.37275   112.69628
   25    24 S   HC   HB21    33     1.09143   109.41345    61.45435
   26    24 S   HC   HB22    34     1.09560   110.13442   179.10213
   27    22 S   N    _N3_    24     1.38474   113.54102    38.49735
   28    27 S   H    _HN3    25     1.01523   118.82992    -1.22429
   29    24 S   S    _SG2    35     1.83286   110.89812   -62.20995
   30    27 S   CT   _CA3    26     1.45441   123.57391   175.22870
   31    30 S   HC   HA31    27     1.09516   109.36054    21.87464
   32    30 S   HC   HA32    28     1.09501   107.08811   138.85551
   33    29 S   CT   _C18    36     1.86461   104.14193   148.91501
   34    33 S   OM   _O37    37     1.32229   110.75738    41.54211
   35    30 S   CO3  _C3_    29     1.52907   113.04734  -101.71610
   36    35 S   O2Z  _O31    30     1.26411   115.37903   -46.25728
   37    35 S   O2Z  _O32    31     1.26357   115.02250   134.71354
   38    33 S   CT   _C19    38     1.56272   110.75896   -81.53492
   39    38 S   HC   _H5_    39     1.10310   108.53280  -177.36426
   40    33 S   CT   _C17    71     1.60231   110.11007   159.09682
   41    40 S   HC   _H4_    72     1.10051   106.79122  -175.07582
   42    38 S   CO4  _C20    40     1.53079   108.44329   -64.53046
   43    42 S   O    _O33    41     1.22968   123.35457   120.39384
   44    40 S   NP   _N5_    73     1.55354   109.20211   -62.86845
   45    44 S   H    _H17    74     1.03120   101.81251   -15.54227
   46    38 S   C    _C23    85     1.53751   116.99766    65.65130
   47    46 S   O    _O36    86     1.22800   124.55337  -100.28393
   48    42 S   CT   _C21    42     1.52854   115.42476   -61.45211
   49    44 S   CT   _C24    75     1.50415   119.77592    98.58959
   50    49 S   HC   _H18    76     1.09051   109.70155    85.79106
   51    49 S   HC   _H19    77     1.09413   107.24820  -155.55648
   52    49 S   HC   _H20    78     1.08842   110.31958   -36.49452
   53    44 S   CT   _C25    79     1.50669   113.25944  -126.44798
   54    53 S   HC   _H21    80     1.09049   108.94301   -68.57796
   55    53 S   HC   _H22    81     1.09313   108.38974    52.40912
   56    53 S   HC   _H23    82     1.09344   108.02976   171.04283
   57    46 S   N    _N4_    87     1.37774   113.49680    80.37948
   58    57 S   H    _H15    88     1.01476   121.89450    -5.33678
   59    57 S   H    _H16    89     1.01343   120.56954   179.67374
   60    48 S   CO4  _C22    43     1.52344   111.47204   -69.50730
   61    60 S   O    _O34    44     1.23039   120.35285   -33.58205
   62    48 S   OH   _O35    83     1.42681   108.10772   175.80820
   63    62 S   HO   _H14    84     0.97473   107.86548    50.06120
   64    60 S   CA   _C13    45     1.49494   119.78536   148.50856
   65    64 S   CA   _C14    46     1.40072   119.36174     5.79332
   66    64 S   CA   _C12    57     1.40926   120.89631  -174.75193
   67    65 S   CA   _C5_    47     1.42067   119.21975   174.36657
   68    66 S   OH   _O38    58     1.37654   120.60548     1.46353
   69    68 S   HO   _H24    59     0.97224   110.08003    -4.28642
   70    65 S   CT   _C15    66     1.51263   120.07842    -3.52192
   71    70 S   HC   _H12    67     1.09804   107.53999    94.03592
   72    70 S   HC   _H13    68     1.08788   109.81774  -150.73931
   73    67 S   CA   _C6_    48     1.43062   120.68547     7.83859
   74    67 S   CT   _C4_    62     1.51779   119.74251  -173.45450
   75    74 S   HC   _H6_    63     1.09397   110.14114   -96.22086
   76    74 S   HC   _H7_    64     1.09362   112.43125    25.65726
   77    74 S   HC   _H8_    65     1.09458   111.33089   141.89855
   78    48 S   CT   _C16    69     1.53645   110.12873    57.35132
   79    78 S   HC   _H3_    70     1.09791   107.53671    69.01484
   80    73 S   CA   _C7_    49     1.41859   122.13280   174.14646
   81    80 S   HA   _H9_    50     1.08775   121.08218    -1.38734
   82    80 S   CA   _C8_    51     1.39354   122.72193   179.48036
   83    82 S   HA   _H10    52     1.08604   120.09233  -179.98022
   84    82 S   CA   _C9_    53     1.38083   119.59460     0.17359
   85    84 S   HA   _H11    54     1.08602   119.45783  -179.96574
   86    84 S   CA   _C10    55     1.39545   119.30055     0.36850
   87    73 S   CA   _C11    56     1.41976   119.85260    -5.48151
   88    86 S   OH   _O39    60     1.37449   117.29420   179.57942
   89    88 S   HO   _H25    61     0.97174   109.40575     0.46225
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  22   8  13   5  13   9   5   3  12
   8   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13
  15  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7
   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    78    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    70    78    79    40    41    44    45    49    53    46    47    57  
   38    39    42    78    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    60    78    40    41    44    62    46    47    57    58    59  
   42    43    48    40    46    47    57  
   41    44    45    49    50    51    52    53    54    55    56    62    46    42    48    60    65    70    71    72    78    79  
   44    45    49    53    48    70    78    79  
   43    48    60    61    64    70    78    79    62    63    46    47    57  
   48    60    78    62    46  
   45    49    50    51    52    53    54    55    56    48    70    78    79  
   49    50    51    52    53    54    55    56    78  
   47    57    58    59    48  
   57    58    59  
   60    61    64    65    66    70    71    72    78    79    62    63  
   50    51    52    53    54    55    56    78  
   51    52    53  
   52    53  
   53  
   54    55    56    78  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    64    65    67    87    66    68    70    78    79    62    63  
   64    65    66    78    62  
   63    64    70    78    79  
   78  
   65    67    73    86    87    66    68    69    74    70    71    72    78  
   67    73    80    87    66    68    74    75    76    77    70    71    72    78    79  
   68    69    88    70    67    73    80    84    86    87  
   73    80    81    82    86    87    74    75    76    77    70    71    72    78  
   69    73    86    87  
   87  
   71    72    78    79    73    74  
   72    78    79  
   78    79  
   80    81    82    83    84    86    87    88    74    75    76    77  
   75    76    77    80    87  
   76    77  
   77  
    0  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83    84    85    86    87    88  
   84    85    86  
   85    86    87    88    89  
   86    87    88  
   87    88    89  
   88    89  
   89  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    60   317.000  1.522
   48    78   268.000  1.529
   48    62   320.000  1.410
   60    61   570.000  1.229
   60    64   310.000  1.470
   64    65   469.000  1.400
   64    66   469.000  1.400
   65    67   469.000  1.400
   65    70   317.000  1.510
   67    73   469.000  1.400
   67    74   317.000  1.510
   73    80   469.000  1.400
   73    87   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   469.000  1.400
   86    88   450.000  1.364
   87    66   469.000  1.400
   66    68   450.000  1.364
   68    69   553.000  0.945
   88    89   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    49   367.000  1.471
   44    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   62    63   553.000  0.945
   46    47   570.000  1.229
   46    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    78    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    57    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    60    75.00000  107.99600
   42    48    78    63.00000  111.10000
   42    48    62    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    60    61    80.00000  120.40000
   48    60    64    65.00000  115.47100
   48    78    70    58.35000  112.70000
   48    78    79    37.50000  110.70000
   48    78    40    58.35000  112.70000
   48    62    63    55.00000  108.50000
   60    64    65    60.00000  119.52600
   60    64    66    60.00000  119.52600
   64    60    61    75.00000  123.78400
   64    65    67    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    87    63.00000  120.00000
   64    66    68    70.00000  120.00000
   65    67    73    63.00000  120.00000
   65    67    74    70.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    70.00000  112.17500
   67    73    80    63.00000  120.00000
   67    73    87    63.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   73    80    81    35.00000  120.00000
   73    80    82    63.00000  120.00000
   73    87    86    63.00000  120.00000
   73    87    66    63.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    63.00000  120.00000
   84    86    88    70.00000  120.00000
   86    84    85    35.00000  120.00000
   86    87    66    63.00000  120.00000
   86    88    89    35.00000  113.00000
   87    73    80    63.00000  120.00000
   87    66    68    70.00000  120.00000
   66    64    65    63.00000  120.00000
   66    68    69    35.00000  113.00000
   88    86    87    70.00000  120.00000
   74    67    73    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    65    67    70.00000  120.00000
   70    78    79    37.50000  110.70000
   70    78    40    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    48    60    63.00000  111.10000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    40    41    37.50000  110.70000
   78    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    49    75.00000  113.01200
   40    44    53    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   44    53    54    35.00000  109.50000
   44    53    55    35.00000  109.50000
   44    53    56    35.00000  109.50000
   49    44    45    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   62    48    60    90.00000  109.61100
   62    48    78    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    57    58    35.00000  119.80000
   46    57    59    35.00000  119.80000
   57    46    47    80.00000  122.90000
   59    57    58    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    57   1.39750  1.0 1.0
   33    38    46    57  -0.07950 -1.0 2.0
   33    38    46    57  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    49   0.47100  1.0 1.0
   33    40    44    53   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    78   0.62750  1.0 1.0
   34    33    40    78  -0.30950 -1.0 2.0
   34    33    40    78   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    78   0.56750  1.0 1.0
   38    33    40    78  -0.07550 -1.0 2.0
   38    33    40    78   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    60   0.65300  1.0 1.0
   38    42    48    60  -0.03850 -1.0 2.0
   38    42    48    60   0.33900  1.0 3.0
   38    42   -48    78   0.60050  1.0 1.0
   38    42   -48    78   0.05600 -1.0 2.0
   38    42   -48    78   0.26150  1.0 3.0
   38    42    48    62   0.55300  1.0 1.0
   38    42    48    62   1.25850 -1.0 2.0
   38    42    48    62  -0.23600  1.0 3.0
   38    46    57    58   2.45000 -1.0 2.0
   38    46    57    59   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    57   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    57   0.00000  1.0 1.0
   42    48    60    61   0.30150 -1.0 2.0
   42    48    60    64   0.65300  1.0 1.0
   42    48    60    64  -0.03850 -1.0 2.0
   42    48    60    64   0.33900  1.0 3.0
   42    48    78    70  -0.95700  1.0 1.0
   42    48    78    70  -0.18200 -1.0 2.0
   42    48    78    70   0.29450  1.0 3.0
   42    48    78    79  -0.11250  1.0 3.0
   42    48    78    40  -0.95700  1.0 1.0
   42    48    78    40  -0.18200 -1.0 2.0
   42    48    78    40   0.29450  1.0 3.0
   42    48    62    63   0.91850  1.0 1.0
   42    48    62    63   0.57950  1.0 3.0
   43    42    48    60   0.30150 -1.0 2.0
   43    42    48    78   0.30150 -1.0 2.0
   43    42    48    62   0.30150 -1.0 2.0
   48    60    64    65   2.26350  1.0 1.0
   48    60    64    65   0.76750 -1.0 2.0
   48    60    64    65   0.22500  1.0 3.0
   48    60    64    66   2.26350  1.0 1.0
   48    60    64    66   0.76750 -1.0 2.0
   48    60    64    66   0.22500  1.0 3.0
   48    78   -40    33   0.56750  1.0 1.0
   48    78   -40    33  -0.07550 -1.0 2.0
   48    78   -40    33   0.20000  1.0 3.0
   48    78    40    41   0.15000  1.0 3.0
   48    78    40    44   1.36600  1.0 1.0
   48    78    40    44  -0.11450 -1.0 2.0
   48    78    40    44   0.24250  1.0 3.0
   60    48    78    70  -0.95700  1.0 1.0
   60    48    78    70  -0.18200 -1.0 2.0
   60    48    78    70   0.29450  1.0 3.0
   60    48    78    79  -0.11250  1.0 3.0
   60    48    78    40  -0.95700  1.0 1.0
   60    48    78    40  -0.18200 -1.0 2.0
   60    48    78    40   0.29450  1.0 3.0
   60    48    62    63   0.91850  1.0 1.0
   60    48    62    63   0.57950  1.0 3.0
   60    64    65    67   3.62500 -1.0 2.0
   60    64   -65    70   3.62500 -1.0 2.0
   60    64    66    87   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   61    60    64    65   1.05000 -1.0 2.0
   61    60    64    66   1.05000 -1.0 2.0
   64    65    67    73   3.62500 -1.0 2.0
   64    65    67    74   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    78   0.04150 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    87   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   65    67    73    80   3.62500 -1.0 2.0
   65    67   -73    87   3.62500 -1.0 2.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   65    70   -78    48  -0.03700  1.0 1.0
   65    70   -78    48   0.37200 -1.0 2.0
   65    70   -78    48  -0.47300  1.0 3.0
   65    70    78    79   0.43200  1.0 3.0
   65    70    78    40  -0.03700  1.0 1.0
   65    70    78    40   0.37200 -1.0 2.0
   65    70    78    40  -0.47300  1.0 3.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
   67    65    70    78   0.04150 -1.0 2.0
   67    73    80    81   3.62500 -1.0 2.0
   67    73    80    82   3.62500 -1.0 2.0
   67    73    87    86   3.62500 -1.0 2.0
   67    73    87    66   3.62500 -1.0 2.0
   73    67    74    75   0.00000  1.0 1.0
   73    67    74    76   0.00000  1.0 1.0
   73    67    74    77   0.00000  1.0 1.0
   73    80    82    83   3.62500 -1.0 2.0
   73    80    82    84   3.62500 -1.0 2.0
   73    87   -66    64   3.62500 -1.0 2.0
   73    87    66    68   3.62500 -1.0 2.0
   80    73    87    86   3.62500 -1.0 2.0
   80    73    87    66   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82   -84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84    86    88   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86   -87    73   3.62500 -1.0 2.0
   84    86    87    66   3.62500 -1.0 2.0
   84    86    88    89   0.84100 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    87    66    64   3.62500 -1.0 2.0
   86    87    66    68   3.62500 -1.0 2.0
   87    73    80    81   3.62500 -1.0 2.0
   87    73   -80    82   3.62500 -1.0 2.0
   87    86    88    89   0.84100 -1.0 2.0
   87    66    68    69   0.84100 -1.0 2.0
   66    64   -65    67   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   88    86    87    73   3.62500 -1.0 2.0
   88    86    87    66   3.62500 -1.0 2.0
   74    67    73    80   3.62500 -1.0 2.0
   74    67    73    87   3.62500 -1.0 2.0
   70    65    67    73   3.62500 -1.0 2.0
   70    65    67    74   3.62500 -1.0 2.0
   70    78    40    33   0.56750  1.0 1.0
   70    78    40    33  -0.07550 -1.0 2.0
   70    78    40    33   0.20000  1.0 3.0
   70    78    40    41   0.15000  1.0 3.0
   70    78    40    44   1.36600  1.0 1.0
   70    78    40    44  -0.11450 -1.0 2.0
   70    78    40    44   0.24250  1.0 3.0
   71    70    78    48   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    40   0.15000  1.0 3.0
   72    70    78    48   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    40   0.15000  1.0 3.0
   78    48    60    61   0.30150 -1.0 2.0
   78    48   -60    64   0.05850 -1.0 2.0
   78    48   -60    64   0.17250  1.0 3.0
   78    48    62    63  -0.11600  1.0 1.0
   78    48    62    63  -0.09450 -1.0 2.0
   78    48    62    63   0.21250  1.0 3.0
   78    40    44    45   0.17350  1.0 3.0
   78    40    44    49   0.47100  1.0 1.0
   78    40    44    53   0.47100  1.0 1.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.15000  1.0 3.0
   79    78    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    56   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    53   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   45    44    53    54   0.13050  1.0 3.0
   45    44    53    55   0.13050  1.0 3.0
   45    44    53    56   0.13050  1.0 3.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    56   0.15000  1.0 3.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  1.0 3.0
   62    48    60    61   0.30150 -1.0 2.0
   62    48    60    64   0.65300  1.0 1.0
   62    48    60    64  -0.03850 -1.0 2.0
   62    48    60    64   0.33900  1.0 3.0
   62    48    78    70   0.86500  1.0 1.0
   62    48    78    70  -0.17500 -1.0 2.0
   62    48    78    70   0.20800  1.0 3.0
   62    48    78    79   0.23400  1.0 3.0
   62    48    78    40   0.86500  1.0 1.0
   62    48    78    40  -0.17500 -1.0 2.0
   62    48    78    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    57    58   2.45000 -1.0 2.0
   47    46    57    59   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    64    60    61  10.50000 -1.0 2.0
   65    66    64    60   4.00000 -1.0 2.0
   67    70    65    64   4.00000 -1.0 2.0
   73    74    67    65   4.00000 -1.0 2.0
   80    87    73    67   4.00000 -1.0 2.0
   82    81    80    73   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   87    88    86    84   4.00000 -1.0 2.0
   86    66    87    73   4.00000 -1.0 2.0
   87    68    66    64   4.00000 -1.0 2.0
   38    57    46    47  10.50000 -1.0 2.0
   59    46    57    58   1.00000 -1.0 2.0
END
