* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    29.16593    98.72437   -19.02046
    2     1 S   H    _HN1     2     1.02779    82.39105  -102.15746
    3     1 S   H    _H1_     3     1.02949    61.79081    13.53583
    4     1 S   H    _H2_     4     1.02824    63.35698   143.34359
    5     1 S   CT   _CA1     5     1.50129   165.32441    74.18840
    6     5 S   HC   _HA1     6     1.09563   105.18341   122.45151
    7     5 S   CO3  _C1_     7     1.53840   112.58733     2.20744
    8     7 S   O2Z  _O11     8     1.26380   114.94887   -37.00066
    9     7 S   O2Z  _O12     9     1.26250   114.99983   142.18632
   10     5 S   CT   _CB1    10     1.53089   107.42801  -119.36308
   11    10 S   HC   HB11    11     1.09828   109.55925   -47.63480
   12    10 S   HC   HB12    12     1.09816   110.34029    69.06889
   13    10 S   CT   _CG1    13     1.52948   112.55751  -168.54867
   14    13 S   HC   HG11    14     1.09491   110.53511   -64.74307
   15    13 S   HC   HG12    15     1.09658   109.81604    54.48692
   16    13 S   C    _CD1    16     1.51740   112.30476   175.24218
   17    16 S   O    _OE1    17     1.22726   123.27121     8.90852
   18    16 S   N    _N2_    18     1.38635   111.66875  -171.73010
   19    18 S   H    _HN2    19     1.01601   118.92965     2.35883
   20    18 S   CT1  _CA2    20     1.46281   123.40265   179.52729
   21    20 S   HC   _HA2    21     1.09729   109.39934     0.74756
   22    20 S   C    _C2_    22     1.53428   108.73488  -114.96366
   23    22 S   O    _O2_    23     1.23047   122.25384  -148.23480
   24    20 S   CT   _CB2    32     1.53340   111.20684   122.64882
   25    24 S   HC   HB21    33     1.09307   109.39874    59.18389
   26    24 S   HC   HB22    34     1.09521   110.49053   177.33288
   27    22 S   N    _N3_    24     1.38319   113.65210    39.18768
   28    27 S   H    _HN3    25     1.01601   119.55778    -3.46068
   29    24 S   S    _SG2    35     1.83024   110.80673   -63.56939
   30    27 S   CT   _CA3    26     1.45287   123.20308   177.08778
   31    30 S   HC   HA31    27     1.09550   107.51780   -64.22951
   32    30 S   HC   HA32    28     1.09556   107.97156    52.20189
   33    29 S   CT   _C23    36     1.88278   101.67123   148.42527
   34    30 S   CO3  _C3_    29     1.52956   114.08443   174.18068
   35    34 S   O2Z  _O31    30     1.26375   116.06284    -1.02029
   36    34 S   O2Z  _O32    31     1.26428   114.41846   179.03958
   37    33 S   CA   _C16    37     1.56045   110.10530    55.16712
   38    33 S   CO4  _C20    56     1.54094   108.21679   177.57610
   39    38 S   O    _O21    57     1.22816   124.18436  -121.02209
   40    33 S   CT   _C22    69     1.55191   107.77456   -71.38376
   41    40 S   HC   _H35    70     1.09920   110.62485  -177.61124
   42    40 S   HC   _H36    71     1.09578   111.65252    63.24409
   43    37 S   CA   _C8_    38     1.40976   118.06463  -119.96078
   44    43 S   HA   _H31    39     1.08550   122.04958    -1.00288
   45    38 S   CA   _C14    58     1.48396   117.75909    61.82526
   46    43 S   CA   _C11    40     1.38665   121.97880   178.52448
   47    46 S   HA   _H34    41     1.08663   119.11587  -179.78060
   48    45 S   CA   _C7_    59     1.40008   118.88532  -154.30402
   49    48 S   HA   _H30    60     1.08708   121.07951    -0.20367
   50    46 S   CA   _C18    42     1.38792   119.82165    -0.01978
   51    48 S   CA   _C5_    61     1.39338   119.85955   179.02542
   52    51 S   HA   _H28    62     1.08637   120.02975  -179.62361
   53    50 S   CA   _C13    43     1.41569   121.97750     0.34943
   54    50 S   OH   _O24    54     1.37329   117.56058  -179.75853
   55    54 S   HO   _H38    55     0.97166   109.44557     0.12820
   56    51 S   CA   _C10    63     1.39333   120.00061     0.17804
   57    56 S   HA   _H33    64     1.08710   119.63064  -179.88131
   58    37 S   CA   _C12    44     1.44936   123.81974    59.11545
   59    56 S   CA   _C19    65     1.39630   120.12517     0.31714
   60    58 S   CA   _C6_    45     1.42205   123.82901     1.93795
   61    60 S   HA   _H29    46     1.08569   121.30346     1.29679
   62    45 S   CA   _C15    66     1.39989   120.55158    25.55583
   63    59 S   OH   _O25    72     1.36740   115.91408   179.52317
   64    63 S   HO   _H39    73     0.97404   109.60509   178.25135
   65    60 S   CA   _C4_    47     1.39551   123.55585  -179.47735
   66    65 S   HA   _H27    48     1.08613   119.96551  -179.97202
   67    62 S   CO4  _C21    67     1.48309   119.02978     2.28113
   68    67 S   O    _O22    68     1.22736   120.79638   179.81869
   69    65 S   CA   _C9_    49     1.37904   119.73380    -0.15066
   70    69 S   HA   _H32    50     1.08579   119.54579   180.00000
   71    53 S   CA   _C17    51     1.42575   122.96356   179.92598
   72    71 S   OH   _O23    52     1.37465   120.15945     0.31714
   73    72 S   HO   _H37    53     0.97166   109.36790  -179.90935
  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  11   5   4   3
  17   2   1   1  18  13   4   9   4   3   8   4  10   7   3   8
   4   8   6   3  11   3   1   6   3   7   5   6   3   4   2   1
   5   3   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    58    38    39    45    67    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    46    53    58    60    38    39    45    48    62    67    68    40    41    42  
   35    36  
   36  
    0  
   43    44    46    47    50    53    58    60    61    65    71    38    39    45    67    40    41    42  
   39    45    48    49    51    59    62    67    40    41    42    43    58  
   45    48    62    40  
   41    42    43    45    58    59    62    67    68  
   42    62    67    68  
   62    67    68  
   44    46    47    50    53    58    60    54  
   46    47    50    58  
   48    49    51    52    56    59    62    67    68    63  
   47    50    53    58    71    54    55  
   50    53    54  
   49    51    52    56    57    59    62    67  
   51    52    56    62  
   53    58    60    69    71    72    54    55  
   52    56    57    59    62    63  
   56    57    59  
   58    60    61    65    69    70    71    72    73    54    55  
   55    58    71  
    0  
   57    59    62    67    63    64  
   59    62    63  
   60    61    65    66    69    71    72  
   62    67    68    63    64  
   61    65    66    69    70    71  
   65    66    69  
   67    68    63    64  
   64    67  
    0  
   66    69    70    71    72  
   69    70    71  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.522
   33    40   268.000  1.529
   37    43   469.000  1.400
   37    58   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    53   469.000  1.400
   50    54   450.000  1.364
   53    58   469.000  1.400
   53    71   469.000  1.400
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   54    55   553.000  0.945
   38    39   570.000  1.229
   38    45   310.000  1.470
   45    48   469.000  1.400
   45    62   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    62   469.000  1.400
   59    63   450.000  1.364
   62    67   310.000  1.470
   67    68   570.000  1.229
   67    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    45    65.00000  115.47100
   33    40    67    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    35.00000  120.00000
   37    43    46    63.00000  120.00000
   37    58    53    63.00000  120.00000
   37    58    60    63.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    50    53    63.00000  120.00000
   46    50    54    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    53    71    63.00000  120.00000
   50    54    55    35.00000  113.00000
   53    58    60    63.00000  120.00000
   53    71    69    63.00000  120.00000
   53    71    72    70.00000  120.00000
   58    37    43    63.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    65    63.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    71    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    53    58    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   54    50    53    70.00000  120.00000
   38    33    37    70.00000  110.93000
   38    45    48    60.00000  119.52600
   38    45    62    60.00000  119.52600
   45    38    39    75.00000  123.78400
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    62    59    63.00000  120.00000
   45    62    67    60.00000  119.52600
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    59    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    59    62    63.00000  120.00000
   56    59    63    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    62    67    60.00000  119.52600
   59    63    64    35.00000  113.00000
   62    45    48    63.00000  120.00000
   62    67    68    75.00000  123.78400
   62    67    40    65.00000  115.47100
   67    40    41    35.00000  109.50000
   67    40    42    35.00000  109.50000
   40    33    37    70.00000  112.17500
   40    33    38    63.00000  111.10000
   40    67    68    80.00000  120.40000
   42    40    41    33.00000  107.80000
   63    59    62    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    45   0.65300  1.0 1.0
   29    33    38    45  -0.03850 -1.0 2.0
   29    33    38    45   0.33900  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   3.62500 -1.0 2.0
   33    37    43    46   3.62500 -1.0 2.0
   33    37    58    53   3.62500 -1.0 2.0
   33    37    58    60   3.62500 -1.0 2.0
   33    38    45    48   2.26350  1.0 1.0
   33    38    45    48   0.76750 -1.0 2.0
   33    38    45    48   0.22500  1.0 3.0
   33    38    45    62   2.26350  1.0 1.0
   33    38    45    62   0.76750 -1.0 2.0
   33    38    45    62   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    45   0.65300  1.0 1.0
   37    33    38    45  -0.03850 -1.0 2.0
   37    33    38    45   0.33900  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    42   0.43200  1.0 3.0
   37    43    46    47   3.62500 -1.0 2.0
   37    43    46    50   3.62500 -1.0 2.0
   37    58    60    61   3.62500 -1.0 2.0
   37    58    60    65   3.62500 -1.0 2.0
   43    37    58    53   3.62500 -1.0 2.0
   43    37    58    60   3.62500 -1.0 2.0
   43    46   -50    53   3.62500 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   46    50    53    58   3.62500 -1.0 2.0
   46    50    53    71   3.62500 -1.0 2.0
   46    50    54    55   0.84100 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    53   -58    37   3.62500 -1.0 2.0
   50    53    58    60   3.62500 -1.0 2.0
   50    53    71    69   3.62500 -1.0 2.0
   50    53    71    72   3.62500 -1.0 2.0
   53    50    54    55   0.84100 -1.0 2.0
   53    58    60    61   3.62500 -1.0 2.0
   53    58    60    65   3.62500 -1.0 2.0
   53    71    72    73   0.84100 -1.0 2.0
   58    37    43    44   3.62500 -1.0 2.0
   58    37   -43    46   3.62500 -1.0 2.0
   58    53    71    69   3.62500 -1.0 2.0
   58    53    71    72   3.62500 -1.0 2.0
   58    60    65    66   3.62500 -1.0 2.0
   58    60   -65    69   3.62500 -1.0 2.0
   60    65    69    70   3.62500 -1.0 2.0
   60    65    69    71   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   65    69   -71    53   3.62500 -1.0 2.0
   65    69    71    72   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    53   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    53    58    37   3.62500 -1.0 2.0
   71    53   -58    60   3.62500 -1.0 2.0
   54    50    53    58   3.62500 -1.0 2.0
   54    50    53    71   3.62500 -1.0 2.0
   38    33    37    43   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    40    67   0.11950  1.0 1.0
   38    33    40    67   0.20300 -1.0 2.0
   38    33    40    67  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    45    48    49   3.62500 -1.0 2.0
   38    45    48    51   3.62500 -1.0 2.0
   38    45    62    59   3.62500 -1.0 2.0
   38    45   -62    67   3.62500 -1.0 2.0
   39    38    45    48   1.05000 -1.0 2.0
   39    38    45    62   1.05000 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    62    67    68   1.05000 -1.0 2.0
   45    62    67    40   2.26350  1.0 1.0
   45    62    67    40   0.76750 -1.0 2.0
   45    62    67    40   0.22500  1.0 3.0
   48    45    62    59   3.62500 -1.0 2.0
   48    45    62    67   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51   -56    59   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   51    56    59    62   3.62500 -1.0 2.0
   51    56    59    63   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    59   3.62500 -1.0 2.0
   56    59   -62    45   3.62500 -1.0 2.0
   56    59    62    67   3.62500 -1.0 2.0
   56    59    63    64   0.84100 -1.0 2.0
   57    56    59    62   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   59    62    67    68   1.05000 -1.0 2.0
   59    62    67    40   2.26350  1.0 1.0
   59    62    67    40   0.76750 -1.0 2.0
   59    62    67    40   0.22500  1.0 3.0
   62    45    48    49   3.62500 -1.0 2.0
   62    45   -48    51   3.62500 -1.0 2.0
   62    59    63    64   0.84100 -1.0 2.0
   62    67   -40    33   0.05850 -1.0 2.0
   62    67   -40    33   0.17250  1.0 3.0
   62    67    40    41   0.00000  1.0 1.0
   62    67    40    42   0.00000  1.0 1.0
   68    67    40    33   0.30150 -1.0 2.0
   68    67    40    41   0.00000  1.0 1.0
   68    67    40    42   0.00000  1.0 1.0
   40    33    37    43   0.04150 -1.0 2.0
   40    33    37    58   0.04150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    45   0.05850 -1.0 2.0
   40    33   -38    45   0.17250  1.0 3.0
   63    59    62    45   3.62500 -1.0 2.0
   63    59    62    67   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
   36    30    34    35  10.50000 -1.0 2.0
   43    58    37    33   4.00000 -1.0 2.0
   46    44    43    37   1.10000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   53    54    50    46   4.00000 -1.0 2.0
   58    71    53    50   4.00000 -1.0 2.0
   53    60    58    37   4.00000 -1.0 2.0
   65    61    60    58   1.10000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   71    70    69    65   1.10000 -1.0 2.0
   69    72    71    53   4.00000 -1.0 2.0
   33    45    38    39  10.50000 -1.0 2.0
   48    62    45    38   4.00000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   59    57    56    51   1.10000 -1.0 2.0
   62    63    59    56   4.00000 -1.0 2.0
   59    67    62    45   4.00000 -1.0 2.0
   62    40    67    68  10.50000 -1.0 2.0
END
