* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    28.79525    96.59884   -23.55180
    2     1 S   H    _HN1     2     1.02949    69.59875    16.26229
    3     1 S   H    _H1_     3     1.02827    40.25934   173.78003
    4     1 S   H    _H2_     4     1.02789   106.38444   -87.69085
    5     1 S   CT   _CA1     5     1.50114   138.53058   114.36338
    6     5 S   HC   _HA1     6     1.09573   105.18800    95.74695
    7     5 S   CO3  _C1_     7     1.53785   112.49000   -24.49618
    8     7 S   O2Z  _O11     8     1.26374   115.00628   -42.07983
    9     7 S   O2Z  _O12     9     1.26241   114.94709   137.05698
   10     5 S   CT   _CB1    10     1.53076   107.42177  -146.25287
   11    10 S   HC   HB11    11     1.09835   109.37130   -49.52125
   12    10 S   HC   HB12    12     1.09813   110.44904    67.08944
   13    10 S   CT   _CG1    13     1.52997   112.61086  -170.48163
   14    13 S   HC   HG11    14     1.09577   110.66631   -66.07416
   15    13 S   HC   HG12    15     1.09671   109.75269    53.16382
   16    13 S   C    _CD1    16     1.51800   112.17256   173.64192
   17    16 S   O    _OE1    17     1.22735   123.25624     8.63759
   18    16 S   N    _N2_    18     1.38655   111.71058  -171.43521
   19    18 S   H    _HN2    19     1.01572   118.93603     1.73291
   20    18 S   CT1  _CA2    20     1.46227   123.40983   177.27229
   21    20 S   HC   _HA2    21     1.09736   109.34601     5.12438
   22    20 S   C    _C2_    22     1.53603   108.57143  -110.37698
   23    22 S   O    _O2_    23     1.23059   122.30854  -147.15546
   24    20 S   CT   _CB2    32     1.53345   111.61364   127.14092
   25    24 S   HC   HB21    33     1.09591   110.09567    56.56924
   26    24 S   HC   HB22    34     1.09464   109.98813   175.63139
   27    22 S   N    _N3_    24     1.38338   113.74172    40.22711
   28    27 S   H    _HN3    25     1.01566   119.61601    -3.07816
   29    24 S   S    _SG2    35     1.82768   111.51314   -64.28503
   30    27 S   CT   _CA3    26     1.45290   123.24113   177.24480
   31    30 S   HC   HA31    27     1.09548   107.49135   -65.17153
   32    30 S   HC   HA32    28     1.09556   108.01423    51.28134
   33    29 S   CT   _C23    36     1.82363    99.64667   174.36518
   34    33 S   HC   _H3_    37     1.09644   110.06156   -45.59103
   35    30 S   CO3  _C3_    29     1.52970   114.05927   173.29127
   36    35 S   O2Z  _O31    30     1.26379   116.06766    -0.74019
   37    35 S   O2Z  _O32    31     1.26426   114.41713   179.32363
   38    33 S   CM   _C17    38     1.48901   111.14421    75.02766
   39    38 S   HC   _H34    39     1.09190   114.20896   -77.53195
   40    33 S   CO4  _C22    49     1.50934   107.77566  -161.43729
   41    40 S   O    _O26    50     1.22973   121.28365    79.78374
   42    38 S   CMA  _C19    40     1.35176   128.48091   104.84714
   43    42 S   OM   _O23    41     1.26673   124.86478   178.00247
   44    42 S   CA   _C7_    42     1.51363   113.95972    -2.42172
   45    44 S   CA   _C4_    43     1.41410   119.78690  -168.63091
   46    45 S   HA   _H30    44     1.08985   119.55725     1.54231
   47    45 S   CA   _C13    45     1.40629   122.83389  -178.48444
   48    47 S   CA   _C11    46     1.40442   119.02771    -0.09279
   49    47 S   CT   _C25    74     1.50552   118.95999  -180.00000
   50    49 S   HC   _H39    75     1.09459   110.39299   116.95593
   51    49 S   HC   _H40    76     1.09465   110.50488  -121.62512
   52    49 S   HC   _H41    77     1.09528   111.61711    -2.43043
   53    48 S   CA   _C15    47     1.40638   119.13220     0.09691
   54    48 S   CM   _C18    53     1.47756   120.95495  -179.55677
   55    44 S   CA   _C10    48     1.40537   123.02177    12.68165
   56    53 S   OH   _O28    51     1.37512   116.78547  -179.65001
   57    56 S   HO   _H43    52     0.97337   109.20911  -176.66076
   58    54 S   CM   _C16    54     1.33841   118.99106    91.17431
   59    58 S   HC   _H33    55     1.08637   121.61954    -0.29541
   60    58 S   CO4  _C21    56     1.47542   122.43146   179.66604
   61    60 S   O    _O25    57     1.22547   120.05369   179.48074
   62    60 S   CA   _C9_    58     1.47789   118.24739    -0.51700
   63    62 S   CA   _C8_    59     1.39772   119.56914     0.29541
   64    63 S   CA   _C5_    60     1.40337   120.22972   179.98022
   65    64 S   HA   _H31    61     1.08829   120.36384  -179.54243
   66    54 S   CO4  _C20    72     1.48653   120.24023   -89.39124
   67    66 S   O    _O24    73     1.22605   121.33674     0.97899
   68    64 S   CA   _C12    62     1.39976   120.60796     0.52152
   69    68 S   CA   _C6_    63     1.39769   119.05416    -1.22653
   70    69 S   HA   _H32    64     1.08789   120.02138  -178.84767
   71    68 S   CT   _C24    68     1.49931   120.43413  -178.50682
   72    71 S   HC   _H36    69     1.09432   109.99644    87.75713
   73    71 S   HC   _H37    70     1.09511   110.94520  -151.75823
   74    71 S   HC   _H38    71     1.09510   110.89661   -32.75107
   75    62 S   CA   _C14    65     1.40230   121.42437  -179.93147
   76    75 S   OH   _O27    66     1.36930   123.44084    -0.13122
   77    76 S   HO   _H42    67     0.97384   108.99477     0.21306
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3   7   3   8  10   4  11  15
   5   2   1   1   6  11   2   1   1   8   4   8   3  11   9  11
   4   3   1   8   8   3   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    55    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    53    55    40    41  
   38    39    42    55    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    55    40    41  
   42    43    44    40  
   41    56    42    44    45    48    53    55  
   44    53    55  
   43    44    45    46    47    53    55  
   44    45    55  
   45    46    47    48    53    55    56    49  
   46    47    48    53    55    54    49    50    51    52  
   47    48    55    49  
   48    53    55    56    54    58    66    49    50    51    52  
   53    55    56    57    54    58    59    60    63    66    67    49    50    51    52  
   50    51    52    53    54  
   51    52  
   52  
    0  
   55    56    57    54    58    66  
   58    59    60    61    62    63    64    66    67    55    56  
   56    57  
   57  
    0  
   59    60    61    62    63    75    66    67  
   60    61    62    66  
   61    62    63    64    69    75    76    66  
   62    63    75  
   63    64    65    68    69    70    75    76    77    66    67  
   64    65    68    69    75    76    71    66    67  
   65    68    69    70    75    71    72    73    74    66    67  
   68    69    71    66  
   67    68    75  
    0  
   69    70    75    76    71    72    73    74  
   70    75    76    77    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    44   320.000  1.460
   44    45   469.000  1.400
   44    55   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    53   469.000  1.400
   48    54   320.000  1.460
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    40   310.000  1.470
   40    41   570.000  1.229
   56    57   553.000  0.945
   54    58   549.000  1.340
   54    66   320.000  1.462
   58    59   340.000  1.080
   58    60   320.000  1.462
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    75   469.000  1.400
   63    64   469.000  1.400
   63    66   310.000  1.470
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    71   317.000  1.510
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   570.000  1.229
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    55    65.00000  115.47100
   33    40    41    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    44    45    60.00000  120.93500
   42    44    55    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    55    53    63.00000  120.00000
   44    55    40    60.00000  119.52600
   45    47    48    63.00000  120.00000
   45    47    49    70.00000  120.00000
   47    45    46    35.00000  120.00000
   47    48    53    63.00000  120.00000
   47    48    54    60.00000  118.70000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    35.00000  109.50000
   48    53    55    63.00000  120.00000
   48    53    56    70.00000  120.00000
   48    54    58    60.00000  123.66000
   48    54    66    60.00000  124.00000
   53    55    40    60.00000  119.52600
   53    56    57    35.00000  113.00000
   55    44    45    63.00000  120.00000
   55    40    41    75.00000  123.78400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   56    53    55    70.00000  120.00000
   54    48    53    60.00000  118.70000
   54    58    59    35.00000  120.00000
   54    58    60    65.00000  118.96000
   54    66    63    65.00000  117.02400
   54    66    67    80.00000  123.72100
   58    60    61    80.00000  123.72100
   58    60    62    65.00000  117.02400
   60    58    59    40.00000  117.72500
   60    62    63    60.00000  119.52600
   60    62    75    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    66    60.00000  119.52600
   62    75    69    63.00000  120.00000
   62    75    76    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    68    63.00000  120.00000
   63    66    67    75.00000  123.78400
   64    68    69    63.00000  120.00000
   64    68    71    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    70.00000  120.00000
   75    62    63    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  113.00000
   71    68    69    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    54    58    65.00000  118.96000
   66    63    64    60.00000  119.52600
   49    47    48    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    55   0.65300  1.0 1.0
   29    33    40    55  -0.03850 -1.0 2.0
   29    33    40    55   0.33900  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    55   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    55   0.65300  1.0 1.0
   38    33    40    55  -0.03850 -1.0 2.0
   38    33    40    55   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    42    44    45   0.15800  1.0 1.0
   38    42    44    45   1.85350 -1.0 2.0
   38    42    44    45  -0.48700  1.0 3.0
   38    42   -44    55   0.15800  1.0 1.0
   38    42   -44    55   1.85350 -1.0 2.0
   38    42   -44    55  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    55    53   3.62500 -1.0 2.0
   42    44    55    40   3.62500 -1.0 2.0
   43    42    44    45  -0.01750  1.0 1.0
   43    42    44    45  -0.32000 -1.0 2.0
   43    42    44    45   0.00600  1.0 3.0
   43    42    44    55  -0.01750  1.0 1.0
   43    42    44    55  -0.32000 -1.0 2.0
   43    42    44    55   0.00600  1.0 3.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   44    55   -40    33   2.26350  1.0 1.0
   44    55   -40    33   0.76750 -1.0 2.0
   44    55   -40    33   0.22500  1.0 3.0
   44    55    40    41   1.05000 -1.0 2.0
   45    44    55    53   3.62500 -1.0 2.0
   45    44    55    40   3.62500 -1.0 2.0
   45    47   -48    53   3.62500 -1.0 2.0
   45    47    48    54   3.62500 -1.0 2.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.00000  1.0 1.0
   45    47    49    52   0.00000  1.0 1.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    48    53    55   3.62500 -1.0 2.0
   47    48    53    56   3.62500 -1.0 2.0
   47    48    54    58   0.15800  1.0 1.0
   47    48    54    58   1.85350 -1.0 2.0
   47    48    54    58  -0.48700  1.0 3.0
   47    48    54    66  -0.01750  1.0 1.0
   47    48    54    66  -0.32000 -1.0 2.0
   47    48    54    66   0.00600  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    53   -55    44   3.62500 -1.0 2.0
   48    53    55    40   3.62500 -1.0 2.0
   48    53    56    57   0.84100 -1.0 2.0
   48    54    58    59   7.00000 -1.0 2.0
   48    54    58    60   7.00000 -1.0 2.0
   48    54    66    63   1.50000 -1.0 2.0
   48    54    66    67  -0.52200  1.0 1.0
   48    54    66    67   0.82950 -1.0 2.0
   53    48    54    58   0.15800  1.0 1.0
   53    48    54    58   1.85350 -1.0 2.0
   53    48    54    58  -0.48700  1.0 3.0
   53    48    54    66  -0.01750  1.0 1.0
   53    48    54    66  -0.32000 -1.0 2.0
   53    48    54    66   0.00600  1.0 3.0
   53    55    40    33   2.26350  1.0 1.0
   53    55    40    33   0.76750 -1.0 2.0
   53    55    40    33   0.22500  1.0 3.0
   53    55    40    41   1.05000 -1.0 2.0
   55    44    45    46   3.62500 -1.0 2.0
   55    44   -45    47   3.62500 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42  -0.51250  1.0 1.0
   40    33   -38    42  -0.88800 -1.0 2.0
   40    33   -38    42   0.08850  1.0 3.0
   56    53    55    44   3.62500 -1.0 2.0
   56    53    55    40   3.62500 -1.0 2.0
   54    48    53    55   3.62500 -1.0 2.0
   54    48    53    56   3.62500 -1.0 2.0
   54    58    60    61   1.00000 -1.0 2.0
   54    58    60    62  -1.65800  1.0 1.0
   54    58    60    62   0.77650 -1.0 2.0
   58    54    66    63  -1.65800  1.0 1.0
   58    54    66    63   0.77650 -1.0 2.0
   58    54    66    67   1.00000 -1.0 2.0
   58    60   -62    63  -0.11500  1.0 1.0
   58    60   -62    63   1.10450 -1.0 2.0
   58    60   -62    63  -0.48050  1.0 3.0
   58    60    62    75  -0.11500  1.0 1.0
   58    60    62    75   1.10450 -1.0 2.0
   58    60    62    75  -0.48050  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   1.64500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    75    69   3.62500 -1.0 2.0
   60    62    75    76   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    75   1.05000 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63   -66    54  -0.11500  1.0 1.0
   62    63   -66    54   1.10450 -1.0 2.0
   62    63   -66    54  -0.48050  1.0 3.0
   62    63    66    67   1.05000 -1.0 2.0
   62    75    76    77   0.84100 -1.0 2.0
   63    62    75    69   3.62500 -1.0 2.0
   63    62    75    76   3.62500 -1.0 2.0
   63    64   -68    69   3.62500 -1.0 2.0
   63    64    68    71   3.62500 -1.0 2.0
   64    63    66    54  -0.11500  1.0 1.0
   64    63    66    54   1.10450 -1.0 2.0
   64    63    66    54  -0.48050  1.0 3.0
   64    63    66    67   1.05000 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    75   3.62500 -1.0 2.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    69   -75    62   3.62500 -1.0 2.0
   68    69    75    76   3.62500 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    76    77   0.84100 -1.0 2.0
   70    69    75    62   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    62   -63    64   3.62500 -1.0 2.0
   75    62    63    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    75   3.62500 -1.0 2.0
   66    54    58    59   7.00000 -1.0 2.0
   66    54   -58    60   7.00000 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    68   3.62500 -1.0 2.0
   49    47    48    53   3.62500 -1.0 2.0
   49    47    48    54   3.62500 -1.0 2.0
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    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   45    55    44    42   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   48    49    47    45   4.00000 -1.0 2.0
   53    54    48    47   4.00000 -1.0 2.0
   55    56    53    48   4.00000 -1.0 2.0
   53    40    55    44   4.00000 -1.0 2.0
   33    55    40    41  10.50000 -1.0 2.0
   48    66    54    58   1.10000 -1.0 2.0
   60    59    58    54   1.10000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   63    75    62    60   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   69    71    68    64   4.00000 -1.0 2.0
   75    70    69    68   1.10000 -1.0 2.0
   69    76    75    62   4.00000 -1.0 2.0
   54    63    66    67  10.50000 -1.0 2.0
END
