* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    170    259     505
    1     0 S   NP   _N1_     1    28.70847    94.67939   -23.92930
    2     1 S   H    _HN1     2     1.02837    28.11053   173.86726
    3     1 S   H    _H1_     3     1.02778   103.97278   -84.23300
    4     1 S   H    _H2_     4     1.02962    82.46769    22.85900
    5     1 S   CT   _CA1     5     1.50111   134.12133   134.06612
    6     5 S   HC   _HA1     6     1.09576   105.24201    77.94853
    7     5 S   CO3  _C1_     7     1.53774   112.38640   -42.28752
    8     7 S   O2Z  _O11     8     1.26356   115.00435   -44.24702
    9     7 S   O2Z  _O12     9     1.26233   114.90667   134.96920
   10     5 S   CT   _CB1    10     1.53095   107.44776  -164.13579
   11    10 S   HC   HB11    11     1.09826   109.32897   -50.94621
   12    10 S   HC   HB12    12     1.09819   110.41136    65.59258
   13    10 S   CT   _CG1    13     1.53025   112.68908  -172.05394
   14    13 S   HC   HG11    14     1.09599   110.45404   -63.73585
   15    13 S   HC   HG12    15     1.09652   109.98483    55.50040
   16    13 S   C    _CD1    16     1.51815   112.29752   175.85943
   17    16 S   O    _OE1    17     1.22724   123.23778    -1.83675
   18    16 S   N    _N2_    18     1.38628   111.65512   178.34957
   19    18 S   H    _HN2    19     1.01575   119.05487     1.43012
   20    18 S   CT1  _CA2    20     1.46217   123.38564  -179.98022
   21    20 S   HC   _HA2    21     1.09731   109.42543    -5.40269
   22    20 S   C    _C2_    22     1.53453   108.17925  -121.03320
   23    22 S   O    _O2_    23     1.23008   122.31766  -143.57218
   24    20 S   CT   _CB2    32     1.53350   111.64129   116.59999
   25    24 S   HC   HB21    33     1.09587   109.96033    56.95317
   26    24 S   HC   HB22    34     1.09477   109.92723   175.97241
   27    22 S   N    _N3_    24     1.38537   113.38829    43.57458
   28    27 S   H    _HN3    25     1.01502   118.96601    -0.32445
   29    24 S   S    _SG2    35     1.82814   111.77981   -63.66929
   30    27 S   CT   _CA3    26     1.45446   123.40964   175.26923
   31    30 S   HC   HA31    27     1.09523   109.23611    24.67747
   32    30 S   HC   HA32    28     1.09496   107.12349   141.67639
   33    29 S   CT   _C11    36     1.84555    99.60642   178.25954
   34    33 S   HC   _H3_    37     1.09263   104.69631   -42.68187
   35    30 S   CO3  _C3_    29     1.52921   113.10962   -98.80033
   36    35 S   O2Z  _O31    30     1.26404   115.39786   -44.71267
   37    35 S   O2Z  _O32    31     1.26356   114.98983   136.23924
   38    33 S   CM   _C10    38     1.51187   108.79052    74.95178
   39    38 S   HC   _H18    39     1.09170   115.42508    45.63312
   40    33 S   CT   _C12    58     1.55305   113.51845  -159.85070
   41    40 S   HC   _H4_    59     1.10227   106.70239  -174.08003
   42    38 S   CMA  _C9_    40     1.35434   127.73098  -133.80638
   43    42 S   OM   _O37    41     1.26300   128.65792   178.91520
   44    40 S   CT   _C16    60     1.54941   113.75341    66.79985
   45    44 S   HC   _H6_    61     1.09513   111.20203   -47.30006
   46    42 S   CT   _C8_    42     1.53193   120.11082    -3.66490
   47    46 S   HC   _H16    43     1.10094   110.95756  -145.66210
   48    46 S   HC   _H17    44     1.09594   109.54577   -31.62969
   49    44 S   CO4  _C15    62     1.51909   100.90340  -161.07390
   50    49 S   O    _O33    63     1.22503   124.57357  -165.25066
   51    44 S   CT   _C17    71     1.53157   112.31172    78.63301
   52    51 S   HC   _H21    72     1.09505   109.86547   -43.18306
   53    51 S   HC   _H22    73     1.09744   110.14006    74.16684
   54    46 S   CT   _C7_    45     1.53683   112.83106    91.55136
   55    54 S   HC   _H14    46     1.09576   110.38269   -55.55702
   56    54 S   HC   _H15    47     1.09744   109.18410    61.12736
   57    49 S   CT   _C14    64     1.50453   112.55511    15.04517
   58    57 S   HC   _H19    65     1.09295   110.87717   128.19882
   59    57 S   HC   _H20    66     1.09409   109.71693  -110.15747
   60    51 S   CT   _C18    74     1.53217   112.60213  -163.54817
   61    60 S   HC   _H23    75     1.09529   110.30954   -61.10033
   62    60 S   HC   _H24    76     1.09682   109.49937    56.64722
   63    54 S   CT   _C6_    48     1.53224   113.34341  -178.35432
   64    63 S   HC   _H12    49     1.09669   109.73095   -55.56716
   65    63 S   HC   _H13    50     1.09721   108.03334  -171.56101
   66    40 S   CT   _C13    67     1.54030   116.74678   -54.11361
   67    66 S   HC   _H5_    68     1.09465   112.38547    47.52601
   68    60 S   CT   _C19    77     1.53053   110.90200   177.49329
   69    68 S   HC   _H25    78     1.09683   109.53606    58.90015
   70    68 S   HC   _H26    79     1.09677   109.52248   -58.31258
   71    63 S   CT   _C5_    51     1.52999   113.31993    67.61965
   72    71 S   HC   _H10    52     1.09481   110.36859   -65.42837
   73    71 S   HC   _H11    53     1.09617   109.96296    52.83019
   74    66 S   OH   _O36    69     1.41719   110.88910   -74.66609
   75    74 S   HO   _H33    70     0.97226   107.62058  -177.51777
   76    68 S   CT   _C20    80     1.52918   111.51629  -179.63096
   77    76 S   HC   _H27    81     1.09677   109.58799    58.44900
   78    76 S   HC   _H28    82     1.09676   109.57900   -58.90284
   79    71 S   CT   _C4_    54     1.52104   111.46058   173.97390
   80    79 S   HC   _H7_    55     1.09464   111.02239   -60.63321
   81    79 S   HC   _H8_    56     1.09458   110.25948   179.65965
   82    79 S   HC   _H9_    57     1.09466   110.97654    59.91884
   83    76 S   CT   _C21    83     1.52987   111.18972   179.75531
   84    83 S   HC   _H29    84     1.09713   109.52411   -58.52238
   85    83 S   HC   _H30    85     1.09704   109.52847    58.37539
   86    83 S   CT   _C22    86     1.52530   111.47859   179.91377
   87    86 S   HC   _H31    87     1.09715   109.44140   -58.39704
   88    86 S   HC   _H32    88     1.09711   109.46430    58.92758
   89    86 S   CO3  _C23    89     1.53228   115.20227  -179.73607
   90    89 S   O2Z  _O35    90     1.26531   114.04398   179.03490
   91    89 S   O2Z  _O34    91     1.26141   116.68879    -0.97136
  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   9   5   4   3
  16   7   2   1   1  11   4  17   8   8   4  16   8   9   5   4
  11   5  11   5   4   9   5   4   6   4   3   9   5   4   9   5
   4   3   2   9   5   4   6   5   4   1   1   9   5   4   3   2
   1   1   8   5   4   5   4   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    40    41    44    66  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    66    67    74    51  
   38    39    42    40    41    44    66  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    66  
   42    43    46    40  
   41    44    45    49    50    57    58    59    66    67    74    75    51    52    53    60    42  
   44    45    49    57    66    67    74    51  
   43    46    47    48    54    55    56    63  
   46    47    48    54  
   45    49    50    57    58    59    66    67    74    51    52    53    60    61    62    68  
   49    50    57    66    51    52    53    60  
   47    48    54    55    56    63    64    65    71  
   48    54    55    56    63  
   54    55    56    63  
   50    57    58    59    66    67    74    51    52    53    60  
   57    58    59    66    51  
   52    53    60    61    62    68    69    70    76    57    66  
   53    60    61    62    68  
   60    61    62    68  
   55    56    63    64    65    71    72    73    79  
   56    63    64    65    71  
   63    64    65    71  
   58    59    66    67    74    75  
   59    66    67    74  
   66    67    74  
   61    62    68    69    70    76    77    78    83  
   62    68    69    70    76  
   68    69    70    76  
   64    65    71    72    73    79    80    81    82  
   65    71    72    73    79  
   71    72    73    79  
   67    74    75  
   74    75  
   69    70    76    77    78    83    84    85    86  
   70    76    77    78    83  
   76    77    78    83  
   72    73    79    80    81    82  
   73    79    80    81    82  
   79    80    81    82  
   75  
    0  
   77    78    83    84    85    86    87    88    89  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    66   268.000  1.529
   44    45   340.000  1.090
   44    49   317.000  1.522
   44    51   268.000  1.529
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    74   320.000  1.410
   74    75   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    66    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    63    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    79    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    63.00000  111.10000
   40    44    51    58.35000  112.70000
   40    66    57    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    74    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    80.00000  120.40000
   44    49    57    70.00000  116.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    60    58.35000  112.70000
   49    44    45    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    66    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    66    67    37.50000  110.70000
   57    66    74    50.00000  109.50000
   59    57    58    33.00000  107.80000
   66    40    41    37.50000  110.70000
   66    40    44    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    74    75    55.00000  108.50000
   74    66    67    35.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    63.00000  111.10000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    68    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    83    58.35000  112.70000
   70    68    69    33.00000  107.80000
   76    68    69    37.50000  110.70000
   76    68    70    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49  -0.95700  1.0 1.0
   33    40    44    49  -0.18200 -1.0 2.0
   33    40    44    49   0.29450  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    66    57   0.56750  1.0 1.0
   33    40    66    57  -0.07550 -1.0 2.0
   33    40    66    57   0.20000  1.0 3.0
   33    40    66    67   0.15000  1.0 3.0
   33    40    66    74   0.86500  1.0 1.0
   33    40    66    74  -0.17500 -1.0 2.0
   33    40    66    74   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    66   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    66   0.34400  1.0 1.0
   38    33    40    66   0.09450 -1.0 2.0
   38    33    40    66   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    63   0.34400  1.0 1.0
   42    46    54    63   0.09450 -1.0 2.0
   42    46    54    63   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    63    64   0.15000  1.0 3.0
   46    54    63    65   0.15000  1.0 3.0
   46    54    63    71   0.56750  1.0 1.0
   46    54    63    71  -0.07550 -1.0 2.0
   46    54    63    71   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    63   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    63   0.15000  1.0 3.0
   54    63    71    72   0.15000  1.0 3.0
   54    63    71    73   0.15000  1.0 3.0
   54    63    71    79   0.56750  1.0 1.0
   54    63    71    79  -0.07550 -1.0 2.0
   54    63    71    79   0.20000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    71   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    71   0.15000  1.0 3.0
   63    71    79    80   0.15000  1.0 3.0
   63    71    79    81   0.15000  1.0 3.0
   63    71    79    82   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    79   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    79   0.15000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    82   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    82   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44   -49    57   0.60050  1.0 1.0
   40    44   -49    57   0.05600 -1.0 2.0
   40    44   -49    57   0.26150  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    60   0.56750  1.0 1.0
   40    44    51    60  -0.07550 -1.0 2.0
   40    44    51    60   0.20000  1.0 3.0
   40    66    74    75  -0.11600  1.0 1.0
   40    66    74    75  -0.09450 -1.0 2.0
   40    66    74    75   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    66    57   0.15000  1.0 3.0
   41    40    66    67   0.15000  1.0 3.0
   41    40    66    74   0.23400  1.0 3.0
   44    40   -66    57   0.56750  1.0 1.0
   44    40   -66    57  -0.07550 -1.0 2.0
   44    40   -66    57   0.20000  1.0 3.0
   44    40    66    67   0.15000  1.0 3.0
   44    40    66    74   0.86500  1.0 1.0
   44    40    66    74  -0.17500 -1.0 2.0
   44    40    66    74   0.20800  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49   -57    66   0.60050  1.0 1.0
   44    49   -57    66   0.05600 -1.0 2.0
   44    49   -57    66   0.26150  1.0 3.0
   44    51    60    61   0.15000  1.0 3.0
   44    51    60    62   0.15000  1.0 3.0
   44    51    60    68   0.56750  1.0 1.0
   44    51    60    68  -0.07550 -1.0 2.0
   44    51    60    68   0.20000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    60   0.15000  1.0 3.0
   49    44    51    52  -0.11250  1.0 3.0
   49    44    51    53  -0.11250  1.0 3.0
   49    44    51    60  -0.95700  1.0 1.0
   49    44    51    60  -0.18200 -1.0 2.0
   49    44    51    60   0.29450  1.0 3.0
   49    57   -66    40  -0.95700  1.0 1.0
   49    57   -66    40  -0.18200 -1.0 2.0
   49    57   -66    40   0.29450  1.0 3.0
   49    57    66    67  -0.11250  1.0 3.0
   49    57    66    74  -0.09450  1.0 1.0
   49    57    66    74  -1.12950 -1.0 2.0
   49    57    66    74   0.54000  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    49    57    66   0.30150 -1.0 2.0
   57    66    74    75  -0.11600  1.0 1.0
   57    66    74    75  -0.09450 -1.0 2.0
   57    66    74    75   0.21250  1.0 3.0
   58    57    66    40   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    74   0.23400  1.0 3.0
   59    57    66    40   0.15000  1.0 3.0
   59    57    66    67   0.15000  1.0 3.0
   59    57    66    74   0.23400  1.0 3.0
   66    40    44    45   0.15000  1.0 3.0
   66    40   -44    49  -0.95700  1.0 1.0
   66    40   -44    49  -0.18200 -1.0 2.0
   66    40   -44    49   0.29450  1.0 3.0
   66    40    44    51   0.56750  1.0 1.0
   66    40    44    51  -0.07550 -1.0 2.0
   66    40    44    51   0.20000  1.0 3.0
   67    66    74    75   0.19450  1.0 3.0
   51    44    49    50   0.30150 -1.0 2.0
   51    44    49    57   0.60050  1.0 1.0
   51    44    49    57   0.05600 -1.0 2.0
   51    44    49    57   0.26150  1.0 3.0
   51    60    68    69   0.15000  1.0 3.0
   51    60    68    70   0.15000  1.0 3.0
   51    60    68    76   0.56750  1.0 1.0
   51    60    68    76  -0.07550 -1.0 2.0
   51    60    68    76   0.20000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    68   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    68   0.15000  1.0 3.0
   60    68    76    77   0.15000  1.0 3.0
   60    68    76    78   0.15000  1.0 3.0
   60    68    76    83   0.56750  1.0 1.0
   60    68    76    83  -0.07550 -1.0 2.0
   60    68    76    83   0.20000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    76   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    76   0.15000  1.0 3.0
   68    76    83    84   0.15000  1.0 3.0
   68    76    83    85   0.15000  1.0 3.0
   68    76    83    86   0.56750  1.0 1.0
   68    76    83    86  -0.07550 -1.0 2.0
   68    76    83    86   0.20000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    83   0.15000  1.0 3.0
   70    68    76    77   0.15000  1.0 3.0
   70    68    76    78   0.15000  1.0 3.0
   70    68    76    83   0.15000  1.0 3.0
   76    83    86    87   0.15000  1.0 3.0
   76    83    86    88   0.15000  1.0 3.0
   76    83    86    89  -1.63150  1.0 1.0
   76    83    86    89  -0.43550 -1.0 2.0
   76    83    86    89   0.24500  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   0.00000  1.0 1.0
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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
