* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    160    234     469
    1     0 S   NP   _N1_     1    32.71797   100.84686   -21.29314
    2     1 S   H    _HN1     2     1.02782    90.94532   155.83103
    3     1 S   H    _H1_     3     1.03503   155.03104   -63.90156
    4     1 S   H    _H2_     4     1.02755    50.11671   -92.06547
    5     1 S   CT   _CA1     5     1.50596    74.18594    44.79444
    6     5 S   HC   _HA1     6     1.09581   104.32451   144.22739
    7     5 S   CO3  _C1_     7     1.54402   112.43126    27.86284
    8     7 S   O2Z  _O11     8     1.26112   116.38847  -152.20715
    9     7 S   O2Z  _O12     9     1.26579   114.48092    28.21804
   10     5 S   CT   _CB1    10     1.53126   106.65614   -98.75301
   11    10 S   HC   HB11    11     1.09573   109.64240   -32.84323
   12    10 S   HC   HB12    12     1.09803   110.26707    82.77275
   13    10 S   CT   _CG1    13     1.53139   113.40473  -154.79570
   14    13 S   HC   HG11    14     1.09466   111.50702   -86.39342
   15    13 S   HC   HG12    15     1.09505   111.23314    33.40702
   16    13 S   C    _CD1    16     1.51443   109.23120   153.41197
   17    16 S   O    _OE1    17     1.22801   121.96144    93.22482
   18    16 S   N    _N2_    18     1.38487   112.37799   -83.94928
   19    18 S   H    _HN2    19     1.01959   118.72809    -1.84843
   20    18 S   CT1  _CA2    20     1.45648   123.11505   171.03547
   21    20 S   HC   _HA2    21     1.09762   108.57136    21.10593
   22    20 S   C    _C2_    22     1.53378   110.03149   -94.47770
   23    22 S   O    _O2_    23     1.23263   120.51079   157.11419
   24    20 S   CT   _CB2    32     1.53160   111.97910   143.61653
   25    24 S   HC   HB21    33     1.09514   111.34797    53.16174
   26    24 S   HC   HB22    34     1.09566   109.93580   171.27577
   27    22 S   N    _N3_    24     1.38254   115.44582   -29.53951
   28    27 S   H    _HN3    25     1.01670   119.82176    -0.00000
   29    24 S   S    _SG2    35     1.82976   110.81827   -70.98678
   30    27 S   CT   _CA3    26     1.45425   122.84687  -176.49815
   31    30 S   HC   HA31    27     1.09567   108.54971   -38.85460
   32    30 S   HC   HA32    28     1.09568   106.80673    77.34015
   33    29 S   CT   _C16    36     1.85717   100.47680   111.16352
   34    33 S   HC   _H4_    37     1.09819   105.79037   -32.36446
   35    30 S   CO3  _C3_    29     1.53012   115.15102  -161.26019
   36    35 S   O2Z  _O31    30     1.26325   116.67977     8.82227
   37    35 S   O2Z  _O32    31     1.26541   114.24641  -172.02883
   38    33 S   CT   _C17    38     1.54942   108.22171    82.76290
   39    38 S   HC   _H24    39     1.09842   110.40136    58.70628
   40    38 S   HC   _H25    40     1.09725   110.31606   -56.97649
   41    33 S   CT   _C15    57     1.57564   114.37590  -148.20231
   42    41 S   OM   _O35    58     1.32651   110.42771   -61.38603
   43    41 S   HC   _H3_    59     1.10115   104.00888   170.59732
   44    38 S   CM   _C18    41     1.50534   114.16828   179.82754
   45    44 S   HC   _H26    42     1.08870   115.36521   -96.79380
   46    41 S   CT   _C14    60     1.55924   110.67478    58.63386
   47    46 S   HC   _H22    61     1.09961   112.42821   -81.18785
   48    46 S   HC   _H23    62     1.09599   109.76552    35.10682
   49    44 S   CM   _C19    43     1.34154   127.12257    82.62260
   50    49 S   HC   _H27    44     1.08851   117.46048  -179.89913
   51    46 S   CM   _C13    63     1.50999   112.49235   156.52210
   52    51 S   HC   _H21    64     1.08808   115.65250    88.67789
   53    49 S   CT   _C20    45     1.50031   126.75834    -0.85501
   54    53 S   HC   _H28    46     1.09405   111.23540     9.79017
   55    53 S   HC   _H29    47     1.09664   108.34785   126.51144
   56    51 S   CM   _C12    65     1.34338   126.41427   -90.70829
   57    56 S   HC   _H20    66     1.08877   117.35088   179.17647
   58    53 S   CT   _C21    48     1.53261   110.86597  -112.95998
   59    58 S   HC   _H30    49     1.09748   109.48958   -58.09582
   60    58 S   HC   _H31    50     1.09732   109.80712    58.60925
   61    56 S   CT   _C11    67     1.50366   126.66771     1.55444
   62    61 S   HC   _H18    68     1.09410   107.51628   115.05059
   63    61 S   HC   _H19    69     1.09398   111.81621    -0.98992
   64    58 S   CT   _C22    51     1.52510   112.14836  -178.54196
   65    64 S   HC   _H32    52     1.09556   109.55558   173.25259
   66    64 S   HC   _H33    53     1.09626   110.35504    55.77066
   67    61 S   CM   _C10    70     1.50177   111.58058  -122.02208
   68    67 S   HC   _H17    71     1.08963   115.98254    48.50872
   69    64 S   CO3  _C23    54     1.52711   111.50032   -67.41328
   70    69 S   O2Z  _O34    55     1.26341   115.47360   -63.21458
   71    69 S   O2Z  _O33    56     1.26253   114.92995   116.83716
   72    67 S   CM   _C9_    72     1.34242   126.99975  -134.16242
   73    72 S   HC   _H16    73     1.08902   117.26232  -178.29269
   74    72 S   CT   _C8_    74     1.50191   127.06036     0.49889
   75    74 S   HC   _H14    75     1.09495   110.78490    28.83167
   76    74 S   HC   _H15    76     1.09692   108.64293   144.25473
   77    74 S   CT   _C7_    77     1.53209   112.70119   -93.60720
   78    77 S   HC   _H12    78     1.09710   109.68600    55.10379
   79    77 S   HC   _H13    79     1.09711   108.43477   171.28972
   80    77 S   CT   _C6_    80     1.53121   113.09922   -67.86549
   81    80 S   HC   _H10    81     1.09677   109.39851   -59.64844
   82    80 S   HC   _H11    82     1.09440   110.13491    57.82023
   83    80 S   CT   _C5_    83     1.52844   111.42203   178.89500
   84    83 S   HC   _H8_    84     1.09608   109.98230    57.32230
   85    83 S   HC   _H9_    85     1.09592   109.76280   -60.53700
   86    83 S   CT   _C4_    86     1.52037   111.47134   178.58764
   87    86 S   HC   _H5_    87     1.09450   111.05922    59.71372
   88    86 S   HC   _H6_    88     1.09467   110.97884   -60.78293
   89    86 S   HC   _H7_    89     1.09446   110.25397   179.48566
  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
  14   8   2   1   1  11   5   4   9   5   4   7   3   7   4   3
   8   4   7   3   9   5   4   7   4   8   5   4   7   4   3   5
   4   3   7   3   2   1   1   8   4   9   5   4   9   5   4   9
   5   4   6   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    53    54    55    58  
   49    50    53  
   47    48    51    52    56    57    61  
   48    51    52    56  
   51    52    56  
   50    53    54    55    58    59    60    64  
   53    54    55    58  
   52    56    57    61    62    63    67  
   56    57    61  
   54    55    58    59    60    64    65    66    69  
   55    58    59    60    64  
   58    59    60    64  
   57    61    62    63    67    68    72  
   61    62    63    67  
   59    60    64    65    66    69    70    71  
   60    64    65    66    69  
   64    65    66    69  
   62    63    67    68    72    73    74  
   63    67    68    72  
   67    68    72  
   65    66    69    70    71  
   66    69    70    71  
   69    70    71  
   68    72    73    74    75    76    77  
   72    73    74  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    56   549.000  1.340
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.510
   67    68   340.000  1.080
   67    72   549.000  1.340
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    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   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    53    70.00000  124.00000
   49    44    45    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    58    70.00000  112.02700
   53    49    50    35.00000  117.00000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    69    70.00000  109.69300
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    69    70    70.00000  117.00000
   64    69    71    70.00000  117.00000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   71    69    70    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    70.00000  112.02700
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    61    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    70.00000  110.12100
   61    56    57    35.00000  117.00000
   61    67    68    35.00000  117.00000
   61    67    72    70.00000  124.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    72    73    35.00000  120.00000
   67    72    74    70.00000  124.00000
   72    67    68    35.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    70.00000  112.02700
   74    72    73    35.00000  117.00000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    49   0.09850  1.0 1.0
   33    38    44    49   0.15250 -1.0 2.0
   33    38    44    49  -0.50650  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.34400  1.0 1.0
   33    41    46    51   0.09450 -1.0 2.0
   33    41    46    51   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   7.00000 -1.0 2.0
   38    44    49    53   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    55   0.00000  1.0 1.0
   44    49    53    58   0.09850  1.0 1.0
   44    49    53    58   0.15250 -1.0 2.0
   44    49    53    58  -0.50650  1.0 3.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    53   7.00000 -1.0 2.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64   0.34400  1.0 1.0
   49    53    58    64   0.09450 -1.0 2.0
   49    53    58    64   0.11100  1.0 3.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.33100  1.0 3.0
   50    49    53    58   0.00000  1.0 1.0
   53    58    64    65   0.15000  1.0 3.0
   53    58    64    66   0.15000  1.0 3.0
   53    58    64    69  -1.63150  1.0 1.0
   53    58    64    69  -0.43550 -1.0 2.0
   53    58    64    69   0.24500  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    64   0.15000  1.0 3.0
   58    64    69    70   0.41150 -1.0 2.0
   58    64    69    71   0.41150 -1.0 2.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    69  -0.11250  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    69  -0.11250  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    56   0.09850  1.0 1.0
   41    46    51    56   0.15250 -1.0 2.0
   41    46    51    56  -0.50650  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    51   0.61850  1.0 1.0
   42    41    46    51  -0.22750 -1.0 2.0
   42    41    46    51   0.15300  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   7.00000 -1.0 2.0
   46    51    56    61   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    56   0.00000  1.0 1.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    67  -0.28300  1.0 1.0
   51    56    61    67   0.26700 -1.0 2.0
   51    56    61    67  -0.63300  1.0 3.0
   52    51    56    57   7.00000 -1.0 2.0
   52    51    56    61   7.00000 -1.0 2.0
   56    61    67    68   0.00000  1.0 1.0
   56    61    67    72  -0.28300  1.0 1.0
   56    61    67    72   0.26700 -1.0 2.0
   56    61    67    72  -0.63300  1.0 3.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.33100  1.0 3.0
   57    56    61    67   0.00000  1.0 1.0
   61    67    72    73   7.00000 -1.0 2.0
   61    67    72    74   7.00000 -1.0 2.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    72   0.00000  1.0 1.0
   63    61    67    68   0.33100  1.0 3.0
   63    61    67    72   0.00000  1.0 1.0
   67    72    74    75   0.00000  1.0 1.0
   67    72    74    76   0.00000  1.0 1.0
   67    72    74    77   0.09850  1.0 1.0
   67    72    74    77   0.15250 -1.0 2.0
   67    72    74    77  -0.50650  1.0 3.0
   68    67    72    73   7.00000 -1.0 2.0
   68    67    72    74   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.34400  1.0 1.0
   72    74    77    80   0.09450 -1.0 2.0
   72    74    77    80   0.11100  1.0 3.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.00000  1.0 1.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   0.56750  1.0 1.0
   74    77    80    83  -0.07550 -1.0 2.0
   74    77    80    83   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  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   0.15000  1.0 3.0
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    45    44    49  15.00000 -1.0 2.0
   53    50    49    44  15.00000 -1.0 2.0
   70    64    69    71  10.50000 -1.0 2.0
   46    52    51    56  15.00000 -1.0 2.0
   61    57    56    51  15.00000 -1.0 2.0
   61    68    67    72  15.00000 -1.0 2.0
   74    73    72    67  15.00000 -1.0 2.0
END
