* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    126    206     374
    1     0 S   NP   _N1_     1    28.50271    95.45330   -22.58238
    2     1 S   H    _HN1     2     1.02778    99.17912   -79.66773
    3     1 S   H    _H1_     3     1.02960    80.52066    27.54672
    4     1 S   H    _H2_     4     1.02836    32.79508   171.42691
    5     1 S   CT   _CA1     5     1.50121   140.07269   138.07543
    6     5 S   HC   _HA1     6     1.09575   105.22576    77.72102
    7     5 S   CO3  _C1_     7     1.53772   112.39049   -42.47951
    8     7 S   O2Z  _O11     8     1.26358   114.99637   -43.82999
    9     7 S   O2Z  _O12     9     1.26237   114.91293   135.32379
   10     5 S   CT   _CB1    10     1.53090   107.42548  -164.38191
   11    10 S   HC   HB11    11     1.09827   109.29468   -50.89346
   12    10 S   HC   HB12    12     1.09818   110.42932    65.64049
   13    10 S   CT   _CG1    13     1.53020   112.70158  -171.99715
   14    13 S   HC   HG11    14     1.09595   110.46901   -64.53291
   15    13 S   HC   HG12    15     1.09656   109.95856    54.70214
   16    13 S   C    _CD1    16     1.51822   112.29325   175.03170
   17    16 S   O    _OE1    17     1.22728   123.25295    -0.63704
   18    16 S   N    _N2_    18     1.38646   111.67604   179.56210
   19    18 S   H    _HN2    19     1.01585   119.03305     1.12570
   20    18 S   CT1  _CA2    20     1.46157   123.32560   179.32565
   21    20 S   HC   _HA2    21     1.09747   109.37778    -5.50306
   22    20 S   C    _C2_    22     1.53458   108.47453  -121.00060
   23    22 S   O    _O2_    23     1.23028   122.20380  -145.30875
   24    20 S   CT   _CB2    32     1.53359   111.68107   116.45791
   25    24 S   HC   HB21    33     1.09506   110.15449    56.19420
   26    24 S   HC   HB22    34     1.09527   109.87280   175.18017
   27    22 S   N    _N3_    24     1.38498   113.45860    42.11479
   28    27 S   H    _HN3    25     1.01503   118.97569    -0.63025
   29    24 S   S    _SG2    35     1.82709   111.68334   -65.13860
   30    27 S   CT   _CA3    26     1.45446   123.40021   174.80944
   31    30 S   HC   HA31    27     1.09525   109.20652    25.43274
   32    30 S   HC   HA32    28     1.09494   107.14438   142.45394
   33    29 S   CT   _C22    36     1.84802    99.49311  -174.47118
   34    33 S   HC   _H3_    37     1.09377   106.93419    36.79842
   35    30 S   CO3  _C3_    29     1.52933   113.07803   -97.99975
   36    35 S   O2Z  _O31    30     1.26406   115.39673   -44.57311
   37    35 S   O2Z  _O32    31     1.26353   114.98962   136.32478
   38    33 S   CM   _C18    38     1.53173   108.36342   156.36485
   39    38 S   CM   _C16    39     1.46803   113.73079    82.59455
   40    39 S   HC   _H32    40     1.08659   118.26609  -164.42039
   41    38 S   CM   _C20    48     1.36372   123.51025   -96.97431
   42    39 S   CM   _C17    41     1.33845   124.96263    14.74733
   43    42 S   HC   _H33    42     1.08368   121.67234  -178.50564
   44    41 S   CA   _C12    49     1.48472   119.96481     1.01914
   45    41 S   CA   _C13    61     1.48528   120.97536  -178.66528
   46    42 S   CO4  _C19    43     1.47929   120.47406     3.61319
   47    46 S   O    _O20    44     1.22868   120.04034  -177.97078
   48    44 S   CA   _C4_    50     1.40268   120.40621    85.54500
   49    48 S   HA   _H24    51     1.08751   120.58885     0.14935
   50    45 S   CA   _C6_    62     1.40278   120.32048    83.06706
   51    50 S   HA   _H26    63     1.08746   120.56127    -0.38563
   52    33 S   CT   _C21    45     1.53053   111.52195   -79.65281
   53    52 S   HC   _H34    46     1.09743   109.91731   168.78247
   54    52 S   HC   _H35    47     1.09527   111.26309    50.08539
   55    48 S   CA   _C8_    52     1.39539   120.30116  -179.53103
   56    55 S   HA   _H28    53     1.08604   119.49160   179.60189
   57    50 S   CA   _C10    64     1.39560   120.25532   179.65226
   58    57 S   HA   _H30    65     1.08599   119.49651   179.90721
   59    55 S   CA   _C14    54     1.39305   119.50006    -0.40007
   60    57 S   CA   _C15    66     1.39326   119.51607    -0.13417
   61    59 S   CA   _C9_    55     1.39230   120.85945    -0.13706
   62    61 S   HA   _H29    56     1.08628   120.47446  -179.86152
   63    59 S   OH   _O21    59     1.36637   121.00976   179.90721
   64    63 S   HO   _H37    60     0.97251   108.57008    -1.02393
   65    60 S   CA   _C11    67     1.39231   120.85982    -0.05595
   66    65 S   HA   _H31    68     1.08628   120.48558  -179.93744
   67    60 S   OH   _O22    71     1.36638   121.01658   179.97202
   68    67 S   HO   _H38    72     0.97240   108.60133     0.15702
   69    44 S   CA   _C5_    57     1.40221   120.09614   -94.78481
   70    69 S   HA   _H25    58     1.08730   120.64622     0.04423
   71    45 S   CA   _C7_    69     1.40208   120.13556   -97.61216
   72    71 S   HA   _H27    70     1.08733   120.65084     0.55848
  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
  13   7   2   1   1  15   9   4  16   6   3  12  11   4   3   8
   4   8   4   2   1   1   7   3   7   3   6   6   5   3   2   1
   5   3   2   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    52    53    54    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    52    53    54    41    44    45  
   38    39    46    52    53    54    41  
   36    37  
   37  
    0  
   39    40    42    43    46    52    53    54    41    44    48    69    45    50    71  
   40    42    43    46    47    52    41    44    45  
   42    43    46    41  
   44    48    49    55    61    69    70    45    50    51    57    65    71    72    42    52  
   43    46    47    52    53    54  
   46    47    52  
   48    49    55    56    59    61    62    69    70    45    50    71  
   50    51    57    58    60    65    66    71    72    48    69  
   47    52    53    54  
   52    53    54  
   49    55    56    59    61    69    70    63  
   55    56    59    69  
   51    57    58    60    65    71    72    67  
   57    58    60    71  
   53    54  
   54  
    0  
   56    59    61    62    69    63    64  
   59    61    63  
   58    60    65    66    71    67    68  
   60    65    67  
   61    62    69    70    63    64  
   65    66    71    72    67    68  
   62    69    70    63    64  
   69    70    63  
   64    69  
    0  
   66    71    72    67    68  
   71    72    67  
   68    71  
    0  
   70  
    0  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   380.000  1.444
   38    41   549.000  1.340
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   41    44   320.000  1.460
   41    45   320.000  1.460
   44    48   469.000  1.400
   44    69   469.000  1.400
   48    49   367.000  1.080
   48    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    63   450.000  1.364
   61    62   367.000  1.080
   61    69   469.000  1.400
   69    70   367.000  1.080
   63    64   553.000  0.945
   45    50   469.000  1.400
   45    71   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    65   469.000  1.400
   60    67   450.000  1.364
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   67    68   553.000  0.945
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    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    70.00000  123.01800
   38    41    44    60.00000  123.20500
   38    41    45    60.00000  123.20500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    52    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    46    47    80.00000  120.40000
   54    52    53    33.00000  107.80000
   41    38    39    70.00000  123.01800
   41    44    48    60.00000  120.93500
   41    44    69    60.00000  120.93500
   41    45    50    60.00000  120.93500
   41    45    71    60.00000  120.93500
   44    48    49    35.00000  120.00000
   44    48    55    63.00000  120.00000
   44    69    61    63.00000  120.00000
   44    69    70    35.00000  120.00000
   48    55    56    35.00000  120.00000
   48    55    59    63.00000  120.00000
   55    48    49    35.00000  120.00000
   55    59    61    63.00000  120.00000
   55    59    63    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    69    63.00000  120.00000
   59    63    64    35.00000  113.00000
   61    69    70    35.00000  120.00000
   69    44    48    63.00000  120.00000
   69    61    62    35.00000  120.00000
   63    59    61    70.00000  120.00000
   45    41    44    60.00000  122.92000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    71    65    63.00000  120.00000
   45    71    72    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    60    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    60    65    63.00000  120.00000
   57    60    67    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    71    63.00000  120.00000
   60    67    68    35.00000  113.00000
   65    71    72    35.00000  120.00000
   71    45    50    63.00000  120.00000
   71    65    66    35.00000  120.00000
   67    60    65    70.00000  120.00000
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  -0.62250  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    46  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   38    33    52    46  -0.98800  1.0 1.0
   38    33    52    46   0.48800 -1.0 2.0
   38    33    52    46   0.76800  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.15000  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    48   0.15800  1.0 1.0
   38    41    44    48   1.85350 -1.0 2.0
   38    41    44    48  -0.48700  1.0 3.0
   38    41    44    69   0.15800  1.0 1.0
   38    41    44    69   1.85350 -1.0 2.0
   38    41    44    69  -0.48700  1.0 3.0
   38    41    45    50   0.15800  1.0 1.0
   38    41    45    50   1.85350 -1.0 2.0
   38    41    45    50  -0.48700  1.0 3.0
   38    41    45    71   0.15800  1.0 1.0
   38    41    45    71   1.85350 -1.0 2.0
   38    41    45    71  -0.48700  1.0 3.0
   39    38    41    44   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    52  -0.33500  1.0 1.0
   39    42    46    52   1.06600 -1.0 2.0
   39    42    46    52  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -52    33   0.65300  1.0 1.0
   42    46   -52    33  -0.03850 -1.0 2.0
   42    46   -52    33   0.33900  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    54   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    52   0.04550  1.0 1.0
   43    42    46    52   0.83000 -1.0 2.0
   43    42    46    52  -0.04000  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   52    33   -38    39   0.98200  1.0 1.0
   52    33   -38    39  -0.11900 -1.0 2.0
   52    33   -38    39   0.24250  1.0 3.0
   52    33    38    41   0.09850  1.0 1.0
   52    33    38    41   0.15250 -1.0 2.0
   52    33    38    41  -0.50650  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    42   0.28850  1.0 1.0
   41    38    39    42   2.61350 -1.0 2.0
   41    38    39    42   0.78400  1.0 3.0
   41    44    48    49   3.62500 -1.0 2.0
   41    44    48    55   3.62500 -1.0 2.0
   41    44    69    61   3.62500 -1.0 2.0
   41    44    69    70   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    57   3.62500 -1.0 2.0
   41    45    71    65   3.62500 -1.0 2.0
   41    45    71    72   3.62500 -1.0 2.0
   44    41    45    50  -0.01750  1.0 1.0
   44    41    45    50  -0.32000 -1.0 2.0
   44    41    45    50   0.00600  1.0 3.0
   44    41    45    71  -0.01750  1.0 1.0
   44    41    45    71  -0.32000 -1.0 2.0
   44    41    45    71   0.00600  1.0 3.0
   44    48    55    56   3.62500 -1.0 2.0
   44    48    55    59   3.62500 -1.0 2.0
   48    44    69    61   3.62500 -1.0 2.0
   48    44    69    70   3.62500 -1.0 2.0
   48    55   -59    61   3.62500 -1.0 2.0
   48    55    59    63   3.62500 -1.0 2.0
   49    48    55    56   3.62500 -1.0 2.0
   49    48    55    59   3.62500 -1.0 2.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59    61    69   3.62500 -1.0 2.0
   55    59    63    64   0.84100 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    61   -69    44   3.62500 -1.0 2.0
   59    61    69    70   3.62500 -1.0 2.0
   61    59    63    64   0.84100 -1.0 2.0
   62    61    69    44   3.62500 -1.0 2.0
   62    61    69    70   3.62500 -1.0 2.0
   69    44    48    49   3.62500 -1.0 2.0
   69    44   -48    55   3.62500 -1.0 2.0
   63    59    61    62   3.62500 -1.0 2.0
   63    59    61    69   3.62500 -1.0 2.0
   45    41    44    48  -0.01750  1.0 1.0
   45    41    44    48  -0.32000 -1.0 2.0
   45    41    44    48   0.00600  1.0 3.0
   45    41    44    69  -0.01750  1.0 1.0
   45    41    44    69  -0.32000 -1.0 2.0
   45    41    44    69   0.00600  1.0 3.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    60   3.62500 -1.0 2.0
   50    45    71    65   3.62500 -1.0 2.0
   50    45    71    72   3.62500 -1.0 2.0
   50    57   -60    65   3.62500 -1.0 2.0
   50    57    60    67   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    60   3.62500 -1.0 2.0
   57    60    65    66   3.62500 -1.0 2.0
   57    60    65    71   3.62500 -1.0 2.0
   57    60    67    68   0.84100 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   58    57    60    67   3.62500 -1.0 2.0
   60    65   -71    45   3.62500 -1.0 2.0
   60    65    71    72   3.62500 -1.0 2.0
   65    60    67    68   0.84100 -1.0 2.0
   66    65    71    45   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    45    50    51   3.62500 -1.0 2.0
   71    45   -50    57   3.62500 -1.0 2.0
   67    60    65    66   3.62500 -1.0 2.0
   67    60    65    71   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    41   1.10000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    52    46    47  10.50000 -1.0 2.0
   44    45    41    38   1.10000 -1.0 2.0
   48    69    44    41   4.00000 -1.0 2.0
   55    49    48    44   1.10000 -1.0 2.0
   59    56    55    48   1.10000 -1.0 2.0
   61    63    59    55   4.00000 -1.0 2.0
   69    62    61    59   1.10000 -1.0 2.0
   61    70    69    44   1.10000 -1.0 2.0
   50    71    45    41   4.00000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   60    58    57    50   1.10000 -1.0 2.0
   65    67    60    57   4.00000 -1.0 2.0
   71    66    65    60   1.10000 -1.0 2.0
   65    72    71    45   1.10000 -1.0 2.0
END
