* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    147    246     432
    1     0 S   NP   _N1_     1    28.86061    93.89930   -25.35938
    2     1 S   H    _HN1     2     1.02950    83.78025    16.33232
    3     1 S   H    _H1_     3     1.02828    23.30838  -163.37270
    4     1 S   H    _H2_     4     1.02784   116.84428   -91.11636
    5     1 S   CT   _CA1     5     1.50115   120.71928   126.40142
    6     5 S   HC   _HA1     6     1.09572   105.20549    82.70529
    7     5 S   CO3  _C1_     7     1.53785   112.42007   -37.54927
    8     7 S   O2Z  _O11     8     1.26373   115.00306   -43.33396
    9     7 S   O2Z  _O12     9     1.26235   114.94796   135.77727
   10     5 S   CT   _CB1    10     1.53078   107.41991  -159.31035
   11    10 S   HC   HB11    11     1.09833   109.38739   -49.71627
   12    10 S   HC   HB12    12     1.09813   110.44203    66.88725
   13    10 S   CT   _CG1    13     1.52996   112.61024  -170.69072
   14    13 S   HC   HG11    14     1.09583   110.63260   -65.22135
   15    13 S   HC   HG12    15     1.09668   109.79768    54.01748
   16    13 S   C    _CD1    16     1.51802   112.20032   174.47834
   17    16 S   O    _OE1    17     1.22735   123.28052     6.64452
   18    16 S   N    _N2_    18     1.38654   111.69536  -173.48344
   19    18 S   H    _HN2    19     1.01591   118.94431     1.78882
   20    18 S   CT1  _CA2    20     1.46191   123.36189   177.72153
   21    20 S   HC   _HA2    21     1.09735   109.36416     2.80379
   22    20 S   C    _C2_    22     1.53546   108.72189  -112.74830
   23    22 S   O    _O2_    23     1.23067   122.23034  -148.32258
   24    20 S   CT   _CB2    32     1.53348   111.57387   124.79451
   25    24 S   HC   HB21    33     1.09491   109.79953    56.57009
   26    24 S   HC   HB22    34     1.09509   110.13267   175.63502
   27    22 S   N    _N3_    24     1.38310   113.74935    39.12543
   28    27 S   H    _HN3    25     1.01585   119.59456    -3.36854
   29    24 S   S    _SG2    35     1.82751   111.49691   -64.45065
   30    27 S   CT   _CA3    26     1.45288   123.20584   177.11968
   31    30 S   HC   HA31    27     1.09549   107.51069   -64.56982
   32    30 S   HC   HA32    28     1.09557   107.98335    51.86601
   33    29 S   CT   _C12    36     1.84768    99.96774  -173.31845
   34    33 S   HC   _H3_    37     1.09573   105.63868    48.66098
   35    30 S   CO3  _C3_    29     1.52959   114.08619   173.86576
   36    35 S   O2Z  _O31    30     1.26379   116.06483    -0.58148
   37    35 S   O2Z  _O32    31     1.26430   114.41181   179.48111
   38    33 S   CT   _C9_    38     1.54693   112.11505   -68.22167
   39    38 S   HC   _H28    39     1.09830   107.05002    69.63824
   40    33 S   CT   _C10    61     1.55150   111.27178   165.69005
   41    40 S   HC   _H29    62     1.09743   108.81455    65.52827
   42    38 S   C3T  _C15    40     1.51695   112.38899  -172.42052
   43    38 S   CO4  _C5_    71     1.52100   113.77387   -45.46703
   44    43 S   O    _O17    72     1.22805   123.01823   139.13778
   45    43 S   HC   _H21    73     1.10318   116.48394   -44.63980
   46    42 S   C3T  _C8_    41     1.52235   119.20907    87.60011
   47    46 S   HC   _H26    42     1.08542   118.20478   139.13361
   48    46 S   HC   _H27    43     1.08326   120.36636    -5.71405
   49    42 S   C3T  _C14    44     1.50383   122.10564    16.85470
   50    49 S   CO4  _C4_    45     1.48939   106.11539  -142.20845
   51    50 S   O    _O16    46     1.22039   124.35886  -174.89094
   52    49 S   CT   _C11    52     1.50842   120.13707     0.26467
   53    52 S   HC   _H30    53     1.09912   108.00449   134.49945
   54    50 S   OS   _O18    47     1.36693   109.81904     3.61514
   55    52 S   CT   _C7_    54     1.53496   113.71481  -105.48776
   56    55 S   HC   _H24    55     1.09591   111.25418   -76.65672
   57    55 S   HC   _H25    56     1.09739   110.50620    41.36665
   58    42 S   CO   _C13    48     1.50555   117.20939  -115.39683
   59    58 S   HC   _H32    49     1.09563   111.77884    26.84300
   60    55 S   CT   _C16    57     1.54156   105.43596   161.51071
   61    58 S   OH   _O19    50     1.41867   109.43202   -94.41283
   62    61 S   HO   _H39    51     0.97190   106.95298   157.11338
   63    60 S   CT   _C6_    58     1.54572   105.11128   -16.15456
   64    63 S   HC   _H22    59     1.09302   112.35362  -136.34822
   65    63 S   HC   _H23    60     1.09861   109.93675   106.18395
   66    60 S   CT   _C17    63     1.53639   110.64231   102.79977
   67    66 S   HC   _H33    64     1.09580   111.11282    63.57438
   68    66 S   HC   _H34    65     1.09586   111.32956   -56.30149
   69    66 S   HC   _H35    66     1.09576   111.06421  -176.40561
   70    60 S   CT   _C18    67     1.53410   110.80971  -136.52852
   71    70 S   HC   _H36    68     1.09574   111.01692   -60.37755
   72    70 S   HC   _H37    69     1.09578   111.05887   179.67434
   73    70 S   HC   _H38    70     1.09488   111.63705    59.73708
  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
  19   8   2   1   1  18   8  17   8  17   5   1   1  12   5   4
  13   8   3  12   5   4  14   5   4   3   2  11   1   1  10   3
   2   7   3   2   1   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    52    63    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    49    58    52    53    55    60    63    64    65    40    41    43    44    45  
   38    39    42    52    63    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    48    49    50    54    58    59    61    52    63    40    41    43    44    45  
   42    46    49    58    40    43    44    45  
   41    66    70    43    42    46    49    50    52    53    55    56    57    60    63    64    65  
   49    52    53    55    60    63    64    65  
   46    47    48    49    50    51    54    58    59    61    62    52    53    55    43    44    45  
   44    45    46    49    58  
   45  
    0  
   47    48    49    50    51    54    58    59    61    52    53    55  
   48    49    50    58    52  
   49    50    58    52  
   50    51    54    58    59    61    52    53    55    56    57    60    63  
   51    54    58    59    61    52    53    55  
   54    58    52  
   53    55    56    57    60    63    64    65    66    70    54    58  
   55    56    57    60    63  
   58    59    61    62  
   56    57    60    63    64    65    66    67    68    69    70    71    72    73  
   57    60    63    66    70  
   60    63    66    70  
   59    61    62  
   61    62  
   63    64    65    66    67    68    69    70    71    72    73  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236100   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   275.000  1.510
   38    43   317.000  1.522
   42    46   260.000  1.509
   42    49   260.000  1.509
   42    58   275.000  1.510
   46    47   340.000  1.088
   46    48   340.000  1.088
   46    49   260.000  1.509
   49    50   290.000  1.496
   49    52   275.000  1.510
   50    51   570.000  1.229
   50    54   214.000  1.327
   54    58   320.000  1.380
   58    59   340.000  1.090
   58    61   380.000  1.407
   61    62   553.000  0.945
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    40   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    63   268.000  1.529
   60    66   268.000  1.529
   60    70   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   43    44   570.000  1.229
   43    45   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.37300
   33    38    43    63.00000  111.10000
   33    40    52    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    42    46    60.00000  120.94000
   38    42    49    60.00000  120.94000
   38    42    58    75.00000  109.43000
   38    43    44    80.00000  120.40000
   38    43    45    35.00000  115.00000
   42    38    39    45.00000  109.38400
   42    46    47    37.50000  117.20000
   42    46    48    37.50000  117.20000
   42    46    49    10.00000   60.00500
   42    49    46    10.00000   60.00500
   42    49    50    65.00000  117.18000
   42    49    52    60.00000  120.94000
   42    58    54    90.00000  108.56700
   42    58    59    45.00000  112.01100
   42    58    61    90.00000  110.19100
   46    49    50    65.00000  117.18000
   46    49    52    60.00000  120.94000
   48    46    47    35.00000  114.30000
   49    42    46    10.00000   60.00500
   49    46    47    37.50000  117.20000
   49    46    48    37.50000  117.20000
   49    50    51    75.00000  121.36600
   49    50    54    81.00000  111.40000
   49    52    53    45.00000  109.38400
   49    52    55    70.00000  112.37300
   49    52    40    70.00000  112.37300
   50    54    58    95.00000  111.08000
   54    50    51    83.00000  123.40000
   54    58    59    35.00000  109.50000
   54    58    61   110.00000  112.08000
   58    42    46    60.00000  120.94000
   58    42    49    60.00000  120.94000
   58    61    62    70.00000  107.92000
   61    58    59    60.00000  108.02500
   52    49    50    63.00000  111.10000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    60    58.35000  112.70000
   52    40    63    58.35000  112.70000
   52    40    41    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    60    63    58.35000  112.70000
   55    60    66    58.35000  112.70000
   55    60    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    40    58.35000  112.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   63    40    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    55    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   66    60    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    60    63    58.35000  112.70000
   70    60    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    42    63.00000  111.10000
   45    43    44    35.00000  123.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   33    38    42    46   0.07850  1.0 1.0
   33    38    42    46  -0.03950 -1.0 2.0
   33    38    42    46   0.67350  1.0 3.0
   33    38    42    49   0.07850  1.0 1.0
   33    38    42    49  -0.03950 -1.0 2.0
   33    38    42    49   0.67350  1.0 3.0
   33    38    42    58   3.97050  1.0 1.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.74550  1.0 1.0
   33    38    43    45  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   38    33    40    52   0.56750  1.0 1.0
   38    33    40    52  -0.07550 -1.0 2.0
   38    33    40    52   0.20000  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42    46    48   0.15000  1.0 3.0
   38    42   -46    49   0.07850  1.0 1.0
   38    42   -46    49  -0.03950 -1.0 2.0
   38    42   -46    49   0.67350  1.0 3.0
   38    42   -49    46   0.07850  1.0 1.0
   38    42   -49    46  -0.03950 -1.0 2.0
   38    42   -49    46   0.67350  1.0 3.0
   38    42    49    50  -0.95700  1.0 1.0
   38    42    49    50  -0.18200 -1.0 2.0
   38    42    49    50   0.29450  1.0 3.0
   38    42   -49    52   0.56750  1.0 1.0
   38    42   -49    52  -0.07550 -1.0 2.0
   38    42   -49    52   0.20000  1.0 3.0
   38    42    58    54   0.62750  1.0 1.0
   38    42    58    54  -0.30950 -1.0 2.0
   38    42    58    54   0.27300  1.0 3.0
   38    42    58    59   0.15000  1.0 3.0
   38    42    58    61   0.86500  1.0 1.0
   38    42    58    61  -0.17500 -1.0 2.0
   38    42    58    61   0.20800  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    58   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   42    38    43    44   0.30150 -1.0 2.0
   42    38    43    45   0.74550  1.0 1.0
   42    38    43    45  -0.00500 -1.0 2.0
   42    46   -49    50  -0.95700  1.0 1.0
   42    46   -49    50  -0.18200 -1.0 2.0
   42    46   -49    50   0.29450  1.0 3.0
   42    46   -49    52   0.07850  1.0 1.0
   42    46   -49    52  -0.03950 -1.0 2.0
   42    46   -49    52   0.67350  1.0 3.0
   42    49    50    51   0.30150 -1.0 2.0
   42    49   -50    54   0.36750  1.0 3.0
   42    49    52    53   0.15000  1.0 3.0
   42    49    52    55   0.07850  1.0 1.0
   42    49    52    55  -0.03950 -1.0 2.0
   42    49    52    55   0.67350  1.0 3.0
   42    49    52    40   0.07850  1.0 1.0
   42    49    52    40  -0.03950 -1.0 2.0
   42    49    52    40   0.67350  1.0 3.0
   42    58    61    62  -0.11600  1.0 1.0
   42    58    61    62  -0.09450 -1.0 2.0
   42    58    61    62   0.21250  1.0 3.0
   46    42   -49    50  -0.95700  1.0 1.0
   46    42   -49    50  -0.18200 -1.0 2.0
   46    42   -49    50   0.29450  1.0 3.0
   46    42   -49    52   0.07850  1.0 1.0
   46    42   -49    52  -0.03950 -1.0 2.0
   46    42   -49    52   0.67350  1.0 3.0
   46    42    58    54  -0.26800  1.0 1.0
   46    42    58    54   0.69150 -1.0 2.0
   46    42    58    54  -0.48750  1.0 3.0
   46    42    58    59   0.15000  1.0 3.0
   46    42    58    61   0.86500  1.0 1.0
   46    42    58    61  -0.17500 -1.0 2.0
   46    42    58    61   0.20800  1.0 3.0
   46    49    50    51   0.30150 -1.0 2.0
   46    49   -50    54   0.36750  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    55   0.07850  1.0 1.0
   46    49    52    55  -0.03950 -1.0 2.0
   46    49    52    55   0.67350  1.0 3.0
   46    49    52    40   0.07850  1.0 1.0
   46    49    52    40  -0.03950 -1.0 2.0
   46    49    52    40   0.67350  1.0 3.0
   47    46   -49    42   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46   -49    42   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    42   -46    47   0.15000  1.0 3.0
   49    42   -46    48   0.15000  1.0 3.0
   49    42   -58    54  -0.26800  1.0 1.0
   49    42   -58    54   0.69150 -1.0 2.0
   49    42   -58    54  -0.48750  1.0 3.0
   49    42    58    59   0.15000  1.0 3.0
   49    42    58    61   0.86500  1.0 1.0
   49    42    58    61  -0.17500 -1.0 2.0
   49    42    58    61   0.20800  1.0 3.0
   49    50   -54    58   1.63150  1.0 1.0
   49    50   -54    58   2.92000 -1.0 2.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    60   0.47050  1.0 1.0
   49    52    55    60   0.03900 -1.0 2.0
   49    52    55    60   0.20100  1.0 3.0
   49    52   -40    33   0.47050  1.0 1.0
   49    52   -40    33   0.03900 -1.0 2.0
   49    52   -40    33   0.20100  1.0 3.0
   49    52    40    63   0.47050  1.0 1.0
   49    52    40    63   0.03900 -1.0 2.0
   49    52    40    63   0.20100  1.0 3.0
   49    52    40    41   0.15000  1.0 3.0
   50    49    52    53  -0.11250  1.0 3.0
   50    49    52    55  -0.95700  1.0 1.0
   50    49    52    55  -0.18200 -1.0 2.0
   50    49    52    55   0.29450  1.0 3.0
   50    49    52    40  -0.95700  1.0 1.0
   50    49    52    40  -0.18200 -1.0 2.0
   50    49    52    40   0.29450  1.0 3.0
   50    54   -58    42  -2.60950  1.0 1.0
   50    54   -58    42   1.40200 -1.0 2.0
   50    54   -58    42   0.21950  1.0 3.0
   50    54    58    59   0.08050  1.0 3.0
   50    54    58    61  -3.31650  1.0 1.0
   50    54    58    61   0.10350 -1.0 2.0
   50    54    58    61  -0.05050  1.0 3.0
   51    50    54    58   3.00000 -1.0 2.0
   54    58    61    62  -0.50000  1.0 1.0
   54    58    61    62  -0.73950 -1.0 2.0
   54    58    61    62   0.17150  1.0 3.0
   58    42    46    47   0.15000  1.0 3.0
   58    42    46    48   0.15000  1.0 3.0
   58    42   -46    49   0.07850  1.0 1.0
   58    42   -46    49  -0.03950 -1.0 2.0
   58    42   -46    49   0.67350  1.0 3.0
   58    42   -49    46   0.07850  1.0 1.0
   58    42   -49    46  -0.03950 -1.0 2.0
   58    42   -49    46   0.67350  1.0 3.0
   58    42   -49    50  -0.95700  1.0 1.0
   58    42   -49    50  -0.18200 -1.0 2.0
   58    42   -49    50   0.29450  1.0 3.0
   58    42    49    52   3.97050  1.0 1.0
   59    58    61    62   0.19450  1.0 3.0
   52    49    50    51   0.30150 -1.0 2.0
   52    49    50    54   0.36750  1.0 3.0
   52    55   -60    63   0.56750  1.0 1.0
   52    55   -60    63  -0.07550 -1.0 2.0
   52    55   -60    63   0.20000  1.0 3.0
   52    55    60    66   0.56750  1.0 1.0
   52    55    60    66  -0.07550 -1.0 2.0
   52    55    60    66   0.20000  1.0 3.0
   52    55    60    70   0.56750  1.0 1.0
   52    55    60    70  -0.07550 -1.0 2.0
   52    55    60    70   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    63   0.15000  1.0 3.0
   53    52    40    41   0.15000  1.0 3.0
   55    52    40    33   0.56750  1.0 1.0
   55    52    40    33  -0.07550 -1.0 2.0
   55    52    40    33   0.20000  1.0 3.0
   55    52   -40    63   0.56750  1.0 1.0
   55    52   -40    63  -0.07550 -1.0 2.0
   55    52   -40    63   0.20000  1.0 3.0
   55    52    40    41   0.15000  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60   -63    40   0.56750  1.0 1.0
   55    60   -63    40  -0.07550 -1.0 2.0
   55    60   -63    40   0.20000  1.0 3.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    69   0.15000  1.0 3.0
   55    60    70    71   0.15000  1.0 3.0
   55    60    70    72   0.15000  1.0 3.0
   55    60    70    73   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   56    55    60    70   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   57    55    60    70   0.15000  1.0 3.0
   60    63    40    33   0.56750  1.0 1.0
   60    63    40    33  -0.07550 -1.0 2.0
   60    63    40    33   0.20000  1.0 3.0
   60    63   -40    52   0.56750  1.0 1.0
   60    63   -40    52  -0.07550 -1.0 2.0
   60    63   -40    52   0.20000  1.0 3.0
   60    63    40    41   0.15000  1.0 3.0
   63    60    66    67   0.15000  1.0 3.0
   63    60    66    68   0.15000  1.0 3.0
   63    60    66    69   0.15000  1.0 3.0
   63    60    70    71   0.15000  1.0 3.0
   63    60    70    72   0.15000  1.0 3.0
   63    60    70    73   0.15000  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    52   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    52   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.47050  1.0 1.0
   40    33   -38    42   0.03900 -1.0 2.0
   40    33   -38    42   0.20100  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    52    55    56   0.15000  1.0 3.0
   40    52    55    57   0.15000  1.0 3.0
   40    52   -55    60   0.56750  1.0 1.0
   40    52   -55    60  -0.07550 -1.0 2.0
   40    52   -55    60   0.20000  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60    63    40   0.56750  1.0 1.0
   66    60    63    40  -0.07550 -1.0 2.0
   66    60    63    40   0.20000  1.0 3.0
   66    60    70    71   0.15000  1.0 3.0
   66    60    70    72   0.15000  1.0 3.0
   66    60    70    73   0.15000  1.0 3.0
   70    60    63    64   0.15000  1.0 3.0
   70    60    63    65   0.15000  1.0 3.0
   70    60    63    40   0.56750  1.0 1.0
   70    60    63    40  -0.07550 -1.0 2.0
   70    60    63    40   0.20000  1.0 3.0
   70    60    66    67   0.15000  1.0 3.0
   70    60    66    68   0.15000  1.0 3.0
   70    60    66    69   0.15000  1.0 3.0
   43    38    42    46  -0.95700  1.0 1.0
   43    38    42    46  -0.18200 -1.0 2.0
   43    38    42    46   0.29450  1.0 3.0
   43    38    42    49  -0.95700  1.0 1.0
   43    38    42    49  -0.18200 -1.0 2.0
   43    38    42    49   0.29450  1.0 3.0
   43    38    42    58  -0.95700  1.0 1.0
   43    38    42    58  -0.18200 -1.0 2.0
   43    38    42    58   0.29450  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
   49    54    50    51  10.50000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
END
