* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    28.22760    96.44209   -23.03283
    2     1 S   H    _HN1     2     1.02958    71.59721    10.56081
    3     1 S   H    _H1_     3     1.02835    38.66507   166.11462
    4     1 S   H    _H2_     4     1.02776   105.21077   -94.10548
    5     1 S   CT   _CA1     5     1.50129   138.84388   110.76851
    6     5 S   HC   _HA1     6     1.09575   105.21815    92.50685
    7     5 S   CO3  _C1_     7     1.53786   112.37182   -27.69429
    8     7 S   O2Z  _O11     8     1.26366   114.99524   -43.68126
    9     7 S   O2Z  _O12     9     1.26235   114.93337   135.43205
   10     5 S   CT   _CB1    10     1.53097   107.42398  -149.57078
   11    10 S   HC   HB11    11     1.09828   109.33893   -50.44723
   12    10 S   HC   HB12    12     1.09816   110.42232    66.10980
   13    10 S   CT   _CG1    13     1.53019   112.67267  -171.51582
   14    13 S   HC   HG11    14     1.09594   110.49582   -64.35388
   15    13 S   HC   HG12    15     1.09656   109.91586    54.85046
   16    13 S   C    _CD1    16     1.51842   112.31607   175.22894
   17    16 S   O    _OE1    17     1.22748   123.29011     0.53632
   18    16 S   N    _N2_    18     1.38564   111.70968  -179.50742
   19    18 S   H    _HN2    19     1.01560   119.00637     4.64190
   20    18 S   CT1  _CA2    20     1.45855   122.89187   177.83309
   21    20 S   HC   _HA2    21     1.09720   108.96700    23.27440
   22    20 S   C    _C2_    22     1.52889   106.85376   -93.86936
   23    22 S   O    _O2_    23     1.22992   122.96247   -28.48335
   24    20 S   CT   _CB2    32     1.53172   112.21291   146.45202
   25    24 S   HC   HB21    33     1.09605   110.24261    54.52965
   26    24 S   HC   HB22    34     1.09494   110.04112   173.52610
   27    22 S   N    _N3_    24     1.38476   112.64943   154.28127
   28    27 S   H    _HN3    25     1.01664   120.40324    -2.02449
   29    24 S   S    _SG2    35     1.82632   111.09717   -66.16961
   30    27 S   CT   _CA3    26     1.45358   122.40731   178.60338
   31    30 S   HC   HA31    27     1.09570   107.66951   -58.22426
   32    30 S   HC   HA32    28     1.09565   107.72595    58.07700
   33    29 S   CT   _C23    36     1.81641    99.62432   173.00630
   34    33 S   HC   _H3_    37     1.09633   109.98391   -51.84447
   35    30 S   CO3  _C3_    29     1.52876   114.39359   179.87805
   36    35 S   O2Z  _O31    30     1.26320   116.08058    -2.61928
   37    35 S   O2Z  _O32    31     1.26444   114.39549   177.41676
   38    33 S   CM   _C18    38     1.48626   112.35214    69.94127
   39    38 S   HC   _H34    39     1.09199   114.04987   -88.02349
   40    33 S   CO4  _C22    70     1.50476   108.97481  -168.76374
   41    40 S   O    _O26    71     1.22860   121.89072    91.50423
   42    38 S   CMA  _C19    40     1.35341   128.14853    96.88531
   43    42 S   OM   _O23    41     1.26501   123.57681   173.34348
   44    42 S   CA   _C9_    42     1.53471   114.24118    -5.75694
   45    44 S   CA   _C6_    43     1.44041   123.75443  -157.99217
   46    45 S   CA   _C7_    44     1.48816   122.48979     5.49005
   47    45 S   CA   _C13    65     1.42801   119.92151  -177.42230
   48    46 S   CA   _C12    45     1.41613   121.46922   -97.44201
   49    47 S   CA   _C5_    66     1.39735   120.17249     1.62883
   50    49 S   HA   _H31    67     1.08781   120.30218   179.21019
   51    47 S   CT   _C25    74     1.51008   122.17855  -177.70356
   52    51 S   HC   _H39    75     1.09317   110.82156   -65.50305
   53    51 S   HC   _H40    76     1.09452   110.64589    56.50145
   54    51 S   HC   _H41    77     1.09569   111.48449   175.20666
   55    48 S   CA   _C4_    46     1.40387   119.50319  -178.41403
   56    55 S   HA   _H30    47     1.08852   119.02190   179.34419
   57    48 S   CT   _C24    61     1.50713   122.19861     0.35166
   58    57 S   HC   _H36    62     1.09363   110.31464   -79.64701
   59    57 S   HC   _H37    63     1.09401   111.53195    42.00343
   60    57 S   HC   _H38    64     1.09563   111.06975   160.59421
   61    49 S   CA   _C14    68     1.38572   120.38169    -2.60384
   62    55 S   CA   _C8_    48     1.39988   121.00451    -1.17803
   63    44 S   CA   _C11    69     1.41837   118.93705    23.32184
   64    61 S   OH   _O27    72     1.36959   115.74694  -177.84133
   65    64 S   HO   _H42    73     0.97360   108.96390  -176.76650
   66    62 S   CA   _C10    49     1.39652   120.33966     0.72847
   67    46 S   CA   _C15    50     1.41593   119.88297    83.44075
   68    66 S   CO4  _C21    53     1.48237   119.35981   179.75853
   69    68 S   O    _O25    54     1.22541   121.92434  -179.09951
   70    67 S   OH   _O28    51     1.37566   116.78867    -0.18767
   71    70 S   HO   _H43    52     0.97293   109.36597  -176.65924
   72    68 S   CM   _C17    55     1.47597   118.24221     0.82424
   73    72 S   HC   _H33    56     1.08453   117.19053   179.32973
   74    72 S   CM   _C16    57     1.33252   121.94518    -0.79672
   75    74 S   HC   _H32    58     1.08431   121.02897  -179.86438
   76    62 S   CO4  _C20    59     1.47808   118.59714  -179.39834
   77    76 S   O    _O24    60     1.22500   121.95776    -0.55813
  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  10  16  17  11  11
   9   4   4   2   1   1  12   4   5   2   1   1   3  10   2   1
   1  10   6   7   3   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    61    63    40    41  
   38    39    42    63    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    63    40    41  
   42    43    44    40  
   41    64    42    44    45    49    61    63  
   44    61    63  
   43    44    45    46    47    61    63  
   44    45    63  
   45    46    48    67    47    49    61    63    64    51  
   46    48    55    66    67    70    57    47    49    50    61    63    51    52    53    54  
   48    55    56    62    66    67    70    71    68    57    58    59    60    47    49    63    51  
   49    50    61    63    64    51    52    53    54    48    67  
   55    56    62    66    67    70    76    57    58    59    60  
   50    61    63    64    65    51    52    53    54  
   61    63    64    51  
   52    53    54    61  
   53    54  
   54  
    0  
   56    62    66    67    68    74    76    77    57    58    59    60  
   62    66    76    57  
   58    59    60    62    67  
   59    60  
   60  
    0  
   63    64    65  
   66    67    70    68    69    72    74    75    76    77  
   64    65  
   65  
    0  
   67    70    71    68    69    72    73    74    76    77  
   70    71    68    69    72    76  
   69    72    73    74    75    76    70  
   72    73    74  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    63   469.000  1.400
   45    46   375.000  1.464
   45    47   469.000  1.400
   46    48   469.000  1.400
   46    67   469.000  1.400
   48    55   469.000  1.400
   48    57   317.000  1.510
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    66   469.000  1.400
   62    76   310.000  1.470
   66    67   469.000  1.400
   66    68   310.000  1.470
   67    70   450.000  1.364
   70    71   553.000  0.945
   68    69   570.000  1.229
   68    72   320.000  1.462
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   320.000  1.462
   76    77   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    49   469.000  1.400
   47    51   317.000  1.510
   49    50   367.000  1.080
   49    61   469.000  1.400
   61    63   469.000  1.400
   61    64   450.000  1.364
   63    40   310.000  1.470
   40    41   570.000  1.229
   64    65   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    63    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    63    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    60.00000  122.76000
   44    45    47    63.00000  120.00000
   44    63    61    63.00000  120.00000
   44    63    40    60.00000  119.52600
   45    46    48    60.00000  122.76000
   45    46    67    60.00000  122.76000
   45    47    49    63.00000  120.00000
   45    47    51    70.00000  120.00000
   46    48    55    63.00000  120.00000
   46    48    57    70.00000  120.00000
   46    67    66    63.00000  120.00000
   46    67    70    70.00000  120.00000
   48    55    56    35.00000  120.00000
   48    55    62    63.00000  120.00000
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    60    35.00000  109.50000
   55    62    66    63.00000  120.00000
   55    62    76    60.00000  119.52600
   62    55    56    35.00000  120.00000
   62    66    67    63.00000  120.00000
   62    66    68    60.00000  119.52600
   62    76    74    65.00000  117.02400
   62    76    77    75.00000  123.78400
   66    67    70    70.00000  120.00000
   66    68    69    75.00000  123.78400
   66    68    72    65.00000  117.02400
   67    46    48    63.00000  120.00000
   67    70    71    35.00000  113.00000
   68    66    67    60.00000  119.52600
   68    72    73    40.00000  117.72500
   68    72    74    65.00000  118.96000
   72    68    69    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    76    65.00000  118.96000
   74    72    73    35.00000  120.00000
   74    76    77    80.00000  123.72100
   76    62    66    60.00000  119.52600
   76    74    75    40.00000  117.72500
   57    48    55    70.00000  120.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    45    46    60.00000  122.76000
   47    49    50    35.00000  120.00000
   47    49    61    63.00000  120.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   49    61    63    63.00000  120.00000
   49    61    64    70.00000  120.00000
   61    49    50    35.00000  120.00000
   61    63    40    60.00000  119.52600
   61    64    65    35.00000  113.00000
   63    44    45    63.00000  120.00000
   63    40    41    75.00000  123.78400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   64    61    63    70.00000  120.00000
   51    47    49    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    63   0.65300  1.0 1.0
   29    33    40    63  -0.03850 -1.0 2.0
   29    33    40    63   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    63   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    63   0.65300  1.0 1.0
   38    33    40    63  -0.03850 -1.0 2.0
   38    33    40    63   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    63   0.15800  1.0 1.0
   38    42   -44    63   1.85350 -1.0 2.0
   38    42   -44    63  -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    63    61   3.62500 -1.0 2.0
   42    44    63    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    63  -0.01750  1.0 1.0
   43    42    44    63  -0.32000 -1.0 2.0
   43    42    44    63   0.00600  1.0 3.0
   44    45    46    48  -0.19450  1.0 1.0
   44    45    46    48   0.63300 -1.0 2.0
   44    45    46    48   0.07450  1.0 3.0
   44    45    46    67  -0.19450  1.0 1.0
   44    45    46    67   0.63300 -1.0 2.0
   44    45    46    67   0.07450  1.0 3.0
   44    45    47    49   3.62500 -1.0 2.0
   44    45    47    51   3.62500 -1.0 2.0
   44    63   -40    33   2.26350  1.0 1.0
   44    63   -40    33   0.76750 -1.0 2.0
   44    63   -40    33   0.22500  1.0 3.0
   44    63    40    41   1.05000 -1.0 2.0
   45    44    63    61   3.62500 -1.0 2.0
   45    44    63    40   3.62500 -1.0 2.0
   45    46    48    55   3.62500 -1.0 2.0
   45    46    48    57   3.62500 -1.0 2.0
   45    46    67    66   3.62500 -1.0 2.0
   45    46    67    70   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47   -49    61   3.62500 -1.0 2.0
   45    47    51    52   0.00000  1.0 1.0
   45    47    51    53   0.00000  1.0 1.0
   45    47    51    54   0.00000  1.0 1.0
   46    45    47    49   3.62500 -1.0 2.0
   46    45    47    51   3.62500 -1.0 2.0
   46    48    55    56   3.62500 -1.0 2.0
   46    48    55    62   3.62500 -1.0 2.0
   46    48    57    58   0.00000  1.0 1.0
   46    48    57    59   0.00000  1.0 1.0
   46    48    57    60   0.00000  1.0 1.0
   46    67    70    71   0.84100 -1.0 2.0
   48    46    67    66   3.62500 -1.0 2.0
   48    46    67    70   3.62500 -1.0 2.0
   48    55   -62    66   3.62500 -1.0 2.0
   48    55    62    76   3.62500 -1.0 2.0
   55    48    57    58   0.00000  1.0 1.0
   55    48    57    59   0.00000  1.0 1.0
   55    48    57    60   0.00000  1.0 1.0
   55    62    66    67   3.62500 -1.0 2.0
   55    62    66    68   3.62500 -1.0 2.0
   55    62    76    74  -0.11500  1.0 1.0
   55    62    76    74   1.10450 -1.0 2.0
   55    62    76    74  -0.48050  1.0 3.0
   55    62    76    77   1.05000 -1.0 2.0
   56    55    62    66   3.62500 -1.0 2.0
   56    55    62    76   3.62500 -1.0 2.0
   62    66   -67    46   3.62500 -1.0 2.0
   62    66    67    70   3.62500 -1.0 2.0
   62    66    68    69   1.05000 -1.0 2.0
   62    66    68    72  -0.11500  1.0 1.0
   62    66    68    72   1.10450 -1.0 2.0
   62    66    68    72  -0.48050  1.0 3.0
   66    62    76    74  -0.11500  1.0 1.0
   66    62    76    74   1.10450 -1.0 2.0
   66    62    76    74  -0.48050  1.0 3.0
   66    62    76    77   1.05000 -1.0 2.0
   66    67    70    71   0.84100 -1.0 2.0
   66    68    72    73   1.64500 -1.0 2.0
   66    68   -72    74  -1.65800  1.0 1.0
   66    68   -72    74   0.77650 -1.0 2.0
   67    46   -48    55   3.62500 -1.0 2.0
   67    46    48    57   3.62500 -1.0 2.0
   67    66    68    69   1.05000 -1.0 2.0
   67    66    68    72  -0.11500  1.0 1.0
   67    66    68    72   1.10450 -1.0 2.0
   67    66    68    72  -0.48050  1.0 3.0
   68    66    67    46   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    72    74    75   7.00000 -1.0 2.0
   68    72    74    76   7.00000 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   1.00000 -1.0 2.0
   72    74   -76    62  -1.65800  1.0 1.0
   72    74   -76    62   0.77650 -1.0 2.0
   72    74    76    77   1.00000 -1.0 2.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   75    74    76    62   1.64500 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   76    62    66    67   3.62500 -1.0 2.0
   76    62   -66    68   3.62500 -1.0 2.0
   57    48    55    56   3.62500 -1.0 2.0
   57    48    55    62   3.62500 -1.0 2.0
   47    45    46    48  -0.19450  1.0 1.0
   47    45    46    48   0.63300 -1.0 2.0
   47    45    46    48   0.07450  1.0 3.0
   47    45    46    67  -0.19450  1.0 1.0
   47    45    46    67   0.63300 -1.0 2.0
   47    45    46    67   0.07450  1.0 3.0
   47    49    61    63   3.62500 -1.0 2.0
   47    49    61    64   3.62500 -1.0 2.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    53   0.00000  1.0 1.0
   49    47    51    54   0.00000  1.0 1.0
   49    61   -63    44   3.62500 -1.0 2.0
   49    61    63    40   3.62500 -1.0 2.0
   49    61    64    65   0.84100 -1.0 2.0
   50    49    61    63   3.62500 -1.0 2.0
   50    49    61    64   3.62500 -1.0 2.0
   61    63    40    33   2.26350  1.0 1.0
   61    63    40    33   0.76750 -1.0 2.0
   61    63    40    33   0.22500  1.0 3.0
   61    63    40    41   1.05000 -1.0 2.0
   63    44    45    46   3.62500 -1.0 2.0
   63    44   -45    47   3.62500 -1.0 2.0
   63    61    64    65   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
   64    61    63    44   3.62500 -1.0 2.0
   64    61    63    40   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   51    47    49    61   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    63    44    42   4.00000 -1.0 2.0
   46    47    45    44   4.00000 -1.0 2.0
   48    67    46    45   4.00000 -1.0 2.0
   55    57    48    46   4.00000 -1.0 2.0
   62    56    55    48   1.10000 -1.0 2.0
   66    76    62    55   4.00000 -1.0 2.0
   67    68    66    62   4.00000 -1.0 2.0
   66    70    67    46   4.00000 -1.0 2.0
   66    72    68    69  10.50000 -1.0 2.0
   68    73    72    74   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   62    74    76    77  10.50000 -1.0 2.0
   49    51    47    45   4.00000 -1.0 2.0
   61    50    49    47   1.10000 -1.0 2.0
   63    64    61    49   4.00000 -1.0 2.0
   61    40    63    44   4.00000 -1.0 2.0
   33    63    40    41  10.50000 -1.0 2.0
END
