* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    208     398
    1     0 S   NP   _N1_     1    29.22899    92.23257   -25.06095
    2     1 S   H    _HN1     2     1.02951    96.60829    11.10619
    3     1 S   H    _H1_     3     1.02834    10.61919  -177.10477
    4     1 S   H    _H2_     4     1.02790   110.80207  -101.39211
    5     1 S   CT   _CA1     5     1.50102   117.18112   128.16443
    6     5 S   HC   _HA1     6     1.09568   105.25385    68.62542
    7     5 S   CO3  _C1_     7     1.53816   112.29683   -51.74200
    8     7 S   O2Z  _O11     8     1.26375   115.02656   -46.21818
    9     7 S   O2Z  _O12     9     1.26228   114.92954   132.85426
   10     5 S   CT   _CB1    10     1.53045   107.41914  -173.35241
   11    10 S   HC   HB11    11     1.09833   109.55547   -49.31780
   12    10 S   HC   HB12    12     1.09791   110.34872    67.25091
   13    10 S   CT   _CG1    13     1.53002   112.58246  -170.24107
   14    13 S   HC   HG11    14     1.09589   110.63764   -62.09515
   15    13 S   HC   HG12    15     1.09649   109.86325    57.20792
   16    13 S   C    _CD1    16     1.51750   112.08459   177.87017
   17    16 S   O    _OE1    17     1.22761   123.14186     6.03777
   18    16 S   N    _N2_    18     1.38649   111.76133  -174.49761
   19    18 S   H    _HN2    19     1.01560   119.24640     2.51310
   20    18 S   CT1  _CA2    20     1.46295   123.25898  -178.46150
   21    20 S   HC   _HA2    21     1.09754   109.02336     3.12117
   22    20 S   C    _C2_    22     1.53541   109.21652  -112.40714
   23    22 S   O    _O2_    23     1.23063   122.32557  -151.41852
   24    20 S   CT   _CB2    32     1.53662   111.79526   124.40570
   25    24 S   HC   HB21    33     1.09451   109.60899    60.98353
   26    24 S   HC   HB22    34     1.09362   109.26008  -179.98022
   27    22 S   N    _N3_    24     1.38367   113.78566    36.21351
   28    27 S   H    _HN3    25     1.01572   119.49903    -3.74073
   29    24 S   S    _SG2    35     1.82887   110.62438   -58.16797
   30    27 S   CT   _CA3    26     1.45268   123.17948   176.92604
   31    30 S   HC   HA31    27     1.09552   107.54108   -63.49347
   32    30 S   HC   HA32    28     1.09558   107.93632    52.91785
   33    29 S   CT   _C18    36     1.89139   104.01200  -157.75911
   34    33 S   OM   _O36    37     1.32091   107.74041    61.27370
   35    30 S   CO3  _C3_    29     1.52943   114.13561   174.88542
   36    35 S   O2Z  _O31    30     1.26371   116.10193    -0.86117
   37    35 S   O2Z  _O32    31     1.26435   114.40787   179.19521
   38    33 S   CM   _C15    38     1.53862   107.21510   -58.87910
   39    38 S   CMA  _C14    39     1.35883   123.50972   -88.24805
   40    39 S   OM   _O34    40     1.26279   132.63460  -179.70725
   41    38 S   CO4  _C16    72     1.50191   121.57633    96.25782
   42    41 S   O    _O35    73     1.22994   121.48742  -100.31612
   43    39 S   CM   _C13    41     1.46249   117.38649    -1.73686
   44    43 S   HC   _H8_    42     1.08897   119.29478   165.88015
   45    41 S   CT   _C17    74     1.50802   117.21561    80.44215
   46    45 S   HC   _H9_    75     1.09346   108.99565   124.26859
   47    45 S   HC   _H10    76     1.09353   111.32706     5.10173
   48    45 S   HC   _H11    77     1.09293   109.39535  -115.45514
   49    43 S   CM   _C12    43     1.34347   122.53968   -19.29167
   50    49 S   HC   _H7_    44     1.08715   118.05635  -172.23365
   51    33 S   CT   _C11    45     1.63163   110.26001  -179.13182
   52    51 S   CA   _C9_    46     1.58526   112.97910   -46.93191
   53    51 S   CT   _C19    68     1.57241   111.89735  -173.08903
   54    53 S   HC   _H12    69     1.09781   112.45233   -68.07341
   55    53 S   HC   _H13    70     1.09779   111.03275   172.23871
   56    53 S   HC   _H14    71     1.09278   113.80143    50.64986
   57    52 S   CA   _C8_    47     1.42274   122.41741    90.24048
   58    57 S   CA   _C7_    48     1.40851   122.05395  -175.80087
   59    57 S   OH   _O37    66     1.37356   119.39562     3.40352
   60    59 S   HO   _H15    67     0.97066   110.03229   153.95423
   61    58 S   CA   _C6_    49     1.39693   120.07020    -4.24492
   62    58 S   CO4  _C20    60     1.48359   121.22357   173.28443
   63    62 S   O    _O38    61     1.22759   119.22456   128.65025
   64    61 S   CA   _C5_    50     1.39784   120.36308     2.99519
   65    61 S   OH   _O39    58     1.37187   121.72385  -178.46201
   66    65 S   HO   _H19    59     0.97294   109.54817    12.48843
   67    62 S   CT   _C21    62     1.50726   118.41026   -53.52744
   68    67 S   HC   _H16    63     1.09259   109.63636   110.35321
   69    67 S   HC   _H17    64     1.09322   111.53459   -11.01873
   70    67 S   HC   _H18    65     1.09379   108.82997  -129.62089
   71    52 S   CA   _C10    51     1.42050   122.04119   -86.39084
   72    64 S   CT   _C4_    54     1.50811   120.30239   179.02562
   73    72 S   HC   _H3_    55     1.09525   110.88631   142.48746
   74    72 S   HC   _H4_    56     1.09438   109.94204   -96.49730
   75    72 S   HC   _H5_    57     1.09456   112.11073    24.35213
   76    71 S   OH   _O33    52     1.37218   119.24213     0.65938
   77    76 S   HO   _H6_    53     0.97068   109.31581   147.17324
  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
  18   7   2   1   1  14   9   4   7   4   6   3   3   2   1   1
   9   3  11  15   5   2   1   1  11  14   4   1  12   7   4   9
   3   1   3   2   1   1   6   4   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    51    52    57    71    53    54    55    56    41    42    45  
   38    39    49    51    52    53    41  
   36    37  
   37  
    0  
   39    40    43    44    49    51    52    53    41    42    45    46    47    48  
   40    43    44    49    50    51    41    42    45  
   43    44    49    41  
   42    45    46    47    48    43    51  
   45    46    47    48  
   44    49    50    51    52    53  
   49    50    51  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    57    71    53    54    55    56  
   51    52    53  
   52    57    58    64    71    76    59    53    54    55    56  
   57    58    61    64    71    76    77    72    62    59    60    53    54    55    56  
   54    55    56    57    71  
   55    56  
   56  
    0  
   58    61    64    71    76    65    62    63    67    59    60  
   61    64    71    72    65    66    62    63    67    68    69    70    59    60  
   60    61    62    71  
    0  
   64    71    76    72    73    74    75    65    66    62    63    67  
   63    67    68    69    70    64    65  
   67    68    69    70  
   71    76    77    72    73    74    75    65    66  
   66    71    72  
    0  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   317.000  1.510
   51    53   268.000  1.529
   52    57   469.000  1.400
   52    71   469.000  1.400
   57    58   469.000  1.400
   57    59   450.000  1.364
   58    61   469.000  1.400
   58    62   310.000  1.470
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    71   469.000  1.400
   64    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    51    49    70.00000  112.02700
   33    51    52    70.00000  112.17500
   33    51    53    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    80.00000  123.72100
   38    41    45    65.00000  118.62400
   39    43    44    40.00000  120.50800
   39    43    49    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    49    50    35.00000  120.00000
   43    49    51    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    51    52    70.00000  112.99600
   49    51    53    70.00000  112.02700
   51    33    34    50.00000  109.50000
   51    33    38    70.00000  112.02700
   51    49    50    35.00000  117.00000
   51    52    57    70.00000  120.00000
   51    52    71    70.00000  120.00000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    63.00000  120.00000
   52    57    59    70.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   57    58    61    63.00000  120.00000
   57    58    62    60.00000  119.52600
   57    59    60    35.00000  113.00000
   58    61    64    63.00000  120.00000
   58    61    65    70.00000  120.00000
   58    62    63    75.00000  123.78400
   58    62    67    65.00000  115.47100
   61    64    71    63.00000  120.00000
   61    64    72    70.00000  120.00000
   61    65    66    35.00000  113.00000
   64    71    76    70.00000  120.00000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   71    52    57    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    64    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    61    64    70.00000  120.00000
   62    58    61    60.00000  119.52600
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   67    62    63    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    57    58    70.00000  120.00000
   53    51    52    70.00000  112.17500
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   45    41    42    80.00000  120.40000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    49   0.56750  1.0 1.0
   29    33    51    49  -0.07550 -1.0 2.0
   29    33    51    49   0.20000  1.0 3.0
   29    33    51    52   0.56750  1.0 1.0
   29    33    51    52  -0.07550 -1.0 2.0
   29    33    51    52   0.20000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    45   0.25700  1.0 1.0
   33    38    41    45   0.66200 -1.0 2.0
   33    38    41    45   0.04450  1.0 3.0
   33    51    52    57   0.04150 -1.0 2.0
   33    51    52    71   0.04150 -1.0 2.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.15000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    51    49   0.61850  1.0 1.0
   34    33    51    49  -0.22750 -1.0 2.0
   34    33    51    49   0.15300  1.0 3.0
   34    33    51    52  -0.64350  1.0 1.0
   34    33    51    52  -0.04200 -1.0 2.0
   34    33    51    52   0.19800  1.0 3.0
   34    33    51    53   0.62750  1.0 1.0
   34    33    51    53  -0.30950 -1.0 2.0
   34    33    51    53   0.27300  1.0 3.0
   38    33    51    49   0.31000  1.0 1.0
   38    33    51    49   0.14700 -1.0 2.0
   38    33    51    49   0.07550  1.0 3.0
   38    33    51    52   0.21200  1.0 1.0
   38    33    51    52   0.16900 -1.0 2.0
   38    33    51    52  -1.15100  1.0 3.0
   38    33    51    53   0.34400  1.0 1.0
   38    33    51    53   0.09450 -1.0 2.0
   38    33    51    53   0.11100  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    49   7.00000 -1.0 2.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    45  -0.33500  1.0 1.0
   39    38    41    45   1.06600 -1.0 2.0
   39    38    41    45  -0.14000  1.0 3.0
   39    43    49    50   7.00000 -1.0 2.0
   39    43    49    51   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    49   7.00000 -1.0 2.0
   43    49   -51    33   0.09850  1.0 1.0
   43    49   -51    33   0.15250 -1.0 2.0
   43    49   -51    33  -0.50650  1.0 3.0
   43    49    51    52   1.44450  1.0 1.0
   43    49    51    52   0.06600 -1.0 2.0
   43    49    51    52   0.29250  1.0 3.0
   43    49    51    53   0.09850  1.0 1.0
   43    49    51    53   0.15250 -1.0 2.0
   43    49    51    53  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    51   7.00000 -1.0 2.0
   49    51    52    57   0.18050 -1.0 2.0
   49    51    52    71   0.18050 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    56   0.15000  1.0 3.0
   50    49    51    33   0.00000  1.0 1.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    52    57    58   3.62500 -1.0 2.0
   51    52    57    59   3.62500 -1.0 2.0
   51    52    71    64   3.62500 -1.0 2.0
   51    52    71    76   3.62500 -1.0 2.0
   52    51    53    54   0.43200  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.43200  1.0 3.0
   52    57    58    61   3.62500 -1.0 2.0
   52    57    58    62   3.62500 -1.0 2.0
   52    57    59    60   0.84100 -1.0 2.0
   52    71    76    77   0.84100 -1.0 2.0
   57    52    71    64   3.62500 -1.0 2.0
   57    52    71    76   3.62500 -1.0 2.0
   57    58   -61    64   3.62500 -1.0 2.0
   57    58    61    65   3.62500 -1.0 2.0
   57    58    62    63   1.05000 -1.0 2.0
   57    58    62    67   2.26350  1.0 1.0
   57    58    62    67   0.76750 -1.0 2.0
   57    58    62    67   0.22500  1.0 3.0
   58    57    59    60   0.84100 -1.0 2.0
   58    61    64    71   3.62500 -1.0 2.0
   58    61    64    72   3.62500 -1.0 2.0
   58    61    65    66   0.84100 -1.0 2.0
   58    62    67    68   0.00000  1.0 1.0
   58    62    67    69   0.00000  1.0 1.0
   58    62    67    70   0.00000  1.0 1.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    67   2.26350  1.0 1.0
   61    58    62    67   0.76750 -1.0 2.0
   61    58    62    67   0.22500  1.0 3.0
   61    64   -71    52   3.62500 -1.0 2.0
   61    64    71    76   3.62500 -1.0 2.0
   61    64    72    73   0.00000  1.0 1.0
   61    64    72    74   0.00000  1.0 1.0
   61    64    72    75   0.00000  1.0 1.0
   64    61    65    66   0.84100 -1.0 2.0
   64    71    76    77   0.84100 -1.0 2.0
   71    52   -57    58   3.62500 -1.0 2.0
   71    52    57    59   3.62500 -1.0 2.0
   71    64    72    73   0.00000  1.0 1.0
   71    64    72    74   0.00000  1.0 1.0
   71    64    72    75   0.00000  1.0 1.0
   72    64    71    52   3.62500 -1.0 2.0
   72    64    71    76   3.62500 -1.0 2.0
   65    61    64    71   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    65   3.62500 -1.0 2.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    70   0.00000  1.0 1.0
   59    57    58    61   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   53    51    52    57   0.04150 -1.0 2.0
   53    51    52    71   0.04150 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    49   1.10000 -1.0 2.0
   51    50    49    43   1.10000 -1.0 2.0
   57    71    52    51   4.00000 -1.0 2.0
   58    59    57    52   4.00000 -1.0 2.0
   61    62    58    57   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   71    72    64    61   4.00000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
   58    67    62    63  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
