* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    141    215     423
    1     0 S   NP   _N1_     1    28.89681    95.67116   -25.47648
    2     1 S   H    _HN1     2     1.02801   120.52199  -108.72568
    3     1 S   H    _H1_     3     1.02945    78.00397    -4.32232
    4     1 S   H    _H2_     4     1.02826    29.19558  -179.79064
    5     1 S   CT   _CA1     5     1.50138   120.53564   102.47526
    6     5 S   HC   _HA1     6     1.09573   105.14484    89.93925
    7     5 S   CO3  _C1_     7     1.53756   112.42996   -30.26591
    8     7 S   O2Z  _O11     8     1.26381   115.00063   -43.16874
    9     7 S   O2Z  _O12     9     1.26229   114.94013   135.73877
   10     5 S   CT   _CB1    10     1.53042   107.39109  -152.10190
   11    10 S   HC   HB11    11     1.09848   109.32013   -49.07110
   12    10 S   HC   HB12    12     1.09809   110.48815    67.50762
   13    10 S   CT   _CG1    13     1.53050   112.66970  -169.96975
   14    13 S   HC   HG11    14     1.09559   110.81119   -68.23773
   15    13 S   HC   HG12    15     1.09663   109.64709    51.02786
   16    13 S   C    _CD1    16     1.51821   111.73433   171.57827
   17    16 S   O    _OE1    17     1.22782   123.06142    16.76132
   18    16 S   N    _N2_    18     1.38628   112.01381  -163.23619
   19    18 S   H    _HN2    19     1.01578   119.06427     0.41590
   20    18 S   CT1  _CA2    20     1.46234   123.33388   175.97280
   21    20 S   HC   _HA2    21     1.09738   109.21698     9.82341
   22    20 S   C    _C2_    22     1.53748   109.02056  -105.74104
   23    22 S   O    _O2_    23     1.23098   122.19371  -149.52683
   24    20 S   CT   _CB2    32     1.53333   111.71349   131.79848
   25    24 S   HC   HB21    33     1.09534   109.85368    57.35418
   26    24 S   HC   HB22    34     1.09522   110.01757   176.34393
   27    22 S   N    _N3_    24     1.38296   113.97731    37.97290
   28    27 S   H    _HN3    25     1.01521   119.63594    -3.14342
   29    24 S   S    _SG2    35     1.82709   111.59601   -63.70491
   30    27 S   CT   _CA3    26     1.45282   123.34265   177.28646
   31    30 S   HC   HA31    27     1.09546   107.50284   -65.22937
   32    30 S   HC   HA32    28     1.09554   108.01987    51.24765
   33    29 S   CT   _C13    36     1.84152    99.87989  -172.76391
   34    33 S   HC   _H3_    37     1.09249   103.03747    55.07896
   35    30 S   CO3  _C3_    29     1.52994   114.00457   173.25230
   36    35 S   O2Z  _O31    30     1.26394   116.07730    -0.47724
   37    35 S   O2Z  _O32    31     1.26422   114.42296   179.58741
   38    33 S   CM   _C5_    38     1.52801   112.55074   -62.13776
   39    33 S   CT   _C10    55     1.54643   110.62767   171.25953
   40    39 S   HC   _H27    56     1.09449   111.03350   138.80535
   41    39 S   HC   _H28    57     1.09822   110.77834    22.96051
   42    38 S   CT   _C9_    39     1.52476   115.33552   118.21948
   43    42 S   HC   _H25    40     1.09638   110.95008   178.25662
   44    42 S   HC   _H26    41     1.09763   107.97253   -66.72711
   45    38 S   CMA  _C7_    75     1.35707   124.87097   -63.87566
   46    45 S   OM   _O16    76     1.25968   133.38833     0.63581
   47    45 S   HC   _H22    77     1.09191   112.45656  -179.06518
   48    42 S   CT   _C11    42     1.54067   115.20162    54.24732
   49    48 S   HC   _H29    43     1.09606   107.83166   179.52440
   50    48 S   HC   _H30    44     1.09151   108.17585   -68.18077
   51    48 S   CT   _C14    45     1.55204   115.14931    55.93998
   52    51 S   HC   _H33    46     1.09264   108.94275   -36.21660
   53    51 S   CT   _C15    47     1.55772   112.12216  -154.09699
   54    53 S   HC   _H34    48     1.09579   107.81981  -154.24738
   55    51 S   CT   _C18    65     1.56584   110.22571    78.69253
   56    55 S   HC   _H41    66     1.09732   107.85441   -44.70483
   57    53 S   CT   _C12    49     1.55999   115.83582    87.86164
   58    57 S   HC   _H31    50     1.09927   107.18820  -179.01842
   59    53 S   OH   _O18    63     1.42707   110.45413   -39.09321
   60    59 S   HO   _H43    64     0.97220   107.72325  -174.24241
   61    55 S   CT   _C16    67     1.53168   114.62598    74.52324
   62    61 S   HC   _H35    68     1.09444   111.90659    66.24318
   63    61 S   HC   _H36    69     1.09319   111.85048   -55.43380
   64    61 S   HC   _H37    70     1.09589   110.22201  -174.54670
   65    55 S   CT   _C17    71     1.53511   111.33473  -160.52936
   66    65 S   HC   _H38    72     1.09393   112.19140   -66.75293
   67    65 S   HC   _H39    73     1.09560   110.45621   173.25831
   68    65 S   HC   _H40    74     1.09512   110.84396    54.26264
   69    57 S   CM   _C4_    51     1.52470   118.90730   -59.28025
   70    57 S   OH   _O17    61     1.43013   108.92411    67.62441
   71    70 S   HO   _H42    62     0.97199   107.89203    56.23398
   72    69 S   CT   _C8_    52     1.52253   120.40689   118.17397
   73    72 S   HC   _H23    53     1.09778   108.14939    53.15339
   74    72 S   HC   _H24    54     1.09821   110.29495   167.39591
   75    69 S   CM   _C6_    58     1.34593   120.13042   -68.79948
   76    75 S   HC   _H20    59     1.08446   121.67341     3.10810
   77    75 S   HC   _H21    60     1.08522   121.53485  -176.95175
  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  14  10   5   4  12   6   5   3   1   1  12
   5   4  19   8  14   7  11   8  12   6   3   1   7   3   2   1
   3   2   1   1   8   3   1   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    72    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    69    72    73    74    39    40    41    45    46    47  
   38    42    72    39    40    41    45  
   36    37  
   37  
    0  
   42    43    44    48    49    50    51    72    39    40    41    45    46    47  
   40    41    75    45    42    57    69    72    73    74  
   41    69    72    73    74  
   69    72    73    74  
   43    44    48    49    50    51    52    53    55    45    46    47  
   44    48    49    50    51    45  
   48    49    50    51    45  
   46    47    48  
   47  
    0  
   49    50    51    52    53    54    57    59    55    56    61    65  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    69    70    59    60    55    56    61    62    63    64    65    66    67    68  
   53    54    57    59    55    56    61    65  
   54    57    58    69    72    75    70    71    59    60    55    56    61    65  
   57    58    69    70    59    60    55  
   56    61    62    63    64    65    66    67    68    57    59  
   61    62    63    64    65    66    67    68  
   58    69    72    73    74    75    76    77    70    71    59    60  
   69    72    75    70    71    59  
   60    69    70  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   72    73    74    75    76    77    70    71  
   71    72    75  
    0  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   77  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   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   317.000  1.510
   33    39   268.000  1.529
   38    42   317.000  1.510
   38    45   465.000  1.376
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   320.000  1.410
   57    58   340.000  1.090
   57    69   317.000  1.510
   57    70   320.000  1.410
   69    72   317.000  1.510
   69    75   549.000  1.340
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   75    76   340.000  1.080
   75    77   340.000  1.080
   70    71   553.000  0.945
   59    60   553.000  0.945
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   745.000  1.250
   45    47   335.000  1.111
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    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    45    70.00000  124.00000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    48    70.00000  112.02700
   38    45    46    65.00000  137.10300
   38    45    47    45.00000  105.30000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    59    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    61    58.35000  112.70000
   51    55    65    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    69    70.00000  112.02700
   53    57    70    50.00000  109.50000
   53    59    60    55.00000  108.50000
   57    53    54    37.50000  110.70000
   57    69    72    65.00000  117.92700
   57    69    75    70.00000  124.00000
   57    70    71    55.00000  108.50000
   69    57    58    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    39    70.00000  112.02700
   69    75    76    35.00000  120.00000
   69    75    77    35.00000  120.00000
   72    39    40    37.50000  110.70000
   72    39    41    37.50000  110.70000
   74    72    73    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   41    39    40    33.00000  107.80000
   75    69    72    70.00000  124.00000
   77    75    76    35.00000  117.00000
   70    57    58    35.00000  109.50000
   70    57    69    90.00000  110.39200
   59    53    54    35.00000  109.50000
   59    53    57    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   61    55    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    38    42    70.00000  124.00000
   47    45    46    50.00000  124.16400
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    39    72   0.44750  1.0 1.0
   29    33    39    72  -0.17800 -1.0 2.0
   29    33    39    72   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    44   0.34800  1.0 3.0
   33    38    42    48   0.46850  1.0 1.0
   33    38    42    48   0.08550 -1.0 2.0
   33    38    42    48   0.09800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    47   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    45   0.00000  1.0 1.0
   34    33    39    72   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    72   0.34400  1.0 1.0
   38    33    39    72   0.09450 -1.0 2.0
   38    33    39    72   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.34400  1.0 1.0
   38    42    48    51   0.09450 -1.0 2.0
   38    42    48    51   0.11100  1.0 3.0
   42    38    45    46   7.00000 -1.0 2.0
   42    38    45    47   7.00000 -1.0 2.0
   42    48    51    52   0.15000  1.0 3.0
   42    48    51    53   0.56750  1.0 1.0
   42    48    51    53  -0.07550 -1.0 2.0
   42    48    51    53   0.20000  1.0 3.0
   42    48    51    55   0.56750  1.0 1.0
   42    48    51    55  -0.07550 -1.0 2.0
   42    48    51    55   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    57   0.56750  1.0 1.0
   48    51    53    57  -0.07550 -1.0 2.0
   48    51    53    57   0.20000  1.0 3.0
   48    51    53    59   0.86500  1.0 1.0
   48    51    53    59  -0.17500 -1.0 2.0
   48    51    53    59   0.20800  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    61   0.56750  1.0 1.0
   48    51    55    61  -0.07550 -1.0 2.0
   48    51    55    61   0.20000  1.0 3.0
   48    51    55    65   0.56750  1.0 1.0
   48    51    55    65  -0.07550 -1.0 2.0
   48    51    55    65   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    69   0.34400  1.0 1.0
   51    53    57    69   0.09450 -1.0 2.0
   51    53    57    69   0.11100  1.0 3.0
   51    53    57    70   0.86500  1.0 1.0
   51    53    57    70  -0.17500 -1.0 2.0
   51    53    57    70   0.20800  1.0 3.0
   51    53    59    60  -0.11600  1.0 1.0
   51    53    59    60  -0.09450 -1.0 2.0
   51    53    59    60   0.21250  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    64   0.15000  1.0 3.0
   51    55    65    66   0.15000  1.0 3.0
   51    55    65    67   0.15000  1.0 3.0
   51    55    65    68   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    55    65   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    61   0.56750  1.0 1.0
   53    51    55    61  -0.07550 -1.0 2.0
   53    51    55    61   0.20000  1.0 3.0
   53    51    55    65   0.56750  1.0 1.0
   53    51    55    65  -0.07550 -1.0 2.0
   53    51    55    65   0.20000  1.0 3.0
   53    57    69    72   0.46850  1.0 1.0
   53    57    69    72   0.08550 -1.0 2.0
   53    57    69    72   0.09800  1.0 3.0
   53    57    69    75   0.09850  1.0 1.0
   53    57    69    75   0.15250 -1.0 2.0
   53    57    69    75  -0.50650  1.0 3.0
   53    57    70    71  -0.11600  1.0 1.0
   53    57    70    71  -0.09450 -1.0 2.0
   53    57    70    71   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    69   0.15000  1.0 3.0
   54    53    57    70   0.23400  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60  -0.11600  1.0 1.0
   57    53    59    60  -0.09450 -1.0 2.0
   57    53    59    60   0.21250  1.0 3.0
   57    69    72    73   0.34800  1.0 3.0
   57    69    72    74   0.34800  1.0 3.0
   57    69    72    39   0.46850  1.0 1.0
   57    69    72    39   0.08550 -1.0 2.0
   57    69    72    39   0.09800  1.0 3.0
   57    69    75    76   7.00000 -1.0 2.0
   57    69    75    77   7.00000 -1.0 2.0
   58    57    69    72   0.34800  1.0 3.0
   58    57    69    75   0.00000  1.0 1.0
   58    57    70    71   0.19450  1.0 3.0
   69    57    70    71  -0.07800  1.0 1.0
   69    57    70    71  -0.21500 -1.0 2.0
   69    57    70    71  -0.03150  1.0 3.0
   69    72    39    33   0.34400  1.0 1.0
   69    72    39    33   0.09450 -1.0 2.0
   69    72    39    33   0.11100  1.0 3.0
   69    72    39    40   0.15000  1.0 3.0
   69    72    39    41   0.15000  1.0 3.0
   72    69    75    76   7.00000 -1.0 2.0
   72    69    75    77   7.00000 -1.0 2.0
   73    72    39    33   0.15000  1.0 3.0
   73    72    39    40   0.15000  1.0 3.0
   73    72    39    41   0.15000  1.0 3.0
   74    72    39    33   0.15000  1.0 3.0
   74    72    39    40   0.15000  1.0 3.0
   74    72    39    41   0.15000  1.0 3.0
   39    33    38    42   0.46850  1.0 1.0
   39    33    38    42   0.08550 -1.0 2.0
   39    33    38    42   0.09800  1.0 3.0
   39    33    38    45   0.09850  1.0 1.0
   39    33    38    45   0.15250 -1.0 2.0
   39    33    38    45  -0.50650  1.0 3.0
   75    69    72    73   0.00000  1.0 1.0
   75    69    72    74   0.00000  1.0 1.0
   75    69    72    39   0.09850  1.0 1.0
   75    69    72    39   0.15250 -1.0 2.0
   75    69    72    39  -0.50650  1.0 3.0
   70    57    69    72   0.18000  1.0 1.0
   70    57    69    72   0.16450 -1.0 2.0
   70    57    69    72   0.04450  1.0 3.0
   70    57    69    75   0.67800  1.0 1.0
   70    57    69    75   0.47050 -1.0 2.0
   70    57    69    75  -0.62500  1.0 3.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    69   1.05650  1.0 1.0
   59    53    57    69   0.15600 -1.0 2.0
   59    53    57    69   0.53150  1.0 3.0
   59    53    57    70   3.75450  1.0 1.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.56750  1.0 1.0
   55    51    53    57  -0.07550 -1.0 2.0
   55    51    53    57   0.20000  1.0 3.0
   55    51    53    59   0.86500  1.0 1.0
   55    51    53    59  -0.17500 -1.0 2.0
   55    51    53    59   0.20800  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   61    55    65    66   0.15000  1.0 3.0
   61    55    65    67   0.15000  1.0 3.0
   61    55    65    68   0.15000  1.0 3.0
   65    55    61    62   0.15000  1.0 3.0
   65    55    61    63   0.15000  1.0 3.0
   65    55    61    64   0.15000  1.0 3.0
   45    38    42    43   0.00000  1.0 1.0
   45    38    42    44   0.00000  1.0 1.0
   45    38    42    48   0.09850  1.0 1.0
   45    38    42    48   0.15250 -1.0 2.0
   45    38    42    48  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    42    38    45   1.10000 -1.0 2.0
   57    72    69    75   1.10000 -1.0 2.0
   76    77    75    69   1.10000 -1.0 2.0
   46    47    45    38   1.10000 -1.0 2.0
END
