* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    135    216     407
    1     0 S   NP   _N1_     1    29.76865    92.35076   -19.51657
    2     1 S   H    _HN1     2     1.02909    10.51666   139.99375
    3     1 S   H    _H1_     3     1.02741    98.00985   -21.33116
    4     1 S   H    _H2_     4     1.03208   114.34504    92.80574
    5     1 S   CT   _CA1     5     1.50347   112.35346  -139.57034
    6     5 S   HC   _HA1     6     1.09680   104.66476    50.91910
    7     5 S   CO3  _C1_     7     1.54393   110.88983   -65.37268
    8     7 S   O2Z  _O11     8     1.26079   116.59467  -112.69609
    9     7 S   O2Z  _O12     9     1.26550   113.79832    65.98172
   10     5 S   CT   _CB1    10     1.53090   107.24700   167.07753
   11    10 S   HC   HB11    11     1.09844   110.05087   -43.26205
   12    10 S   HC   HB12    12     1.09764   110.43880    73.24447
   13    10 S   CT   _CG1    13     1.53039   112.07366  -163.70637
   14    13 S   HC   HG11    14     1.09509   111.65249   -57.34564
   15    13 S   HC   HG12    15     1.09618   110.55149    61.58773
   16    13 S   C    _CD1    16     1.51312   110.09305  -178.99167
   17    16 S   O    _OE1    17     1.22834   121.67888   -91.77655
   18    16 S   N    _N2_    18     1.38431   112.86027    86.61044
   19    18 S   H    _HN2    19     1.01616   119.08280     3.71499
   20    18 S   CT1  _CA2    20     1.46192   123.29257  -177.96510
   21    20 S   HC   _HA2    21     1.09738   109.18941     2.73430
   22    20 S   C    _C2_    22     1.53458   109.25443  -113.09139
   23    22 S   O    _O2_    23     1.23093   122.15609  -148.95669
   24    20 S   CT   _CB2    32     1.53415   111.55569   124.26171
   25    24 S   HC   HB21    33     1.09597   109.98328    59.98015
   26    24 S   HC   HB22    34     1.09492   110.07869   178.97875
   27    22 S   N    _N3_    24     1.38304   113.89447    38.62546
   28    27 S   H    _HN3    25     1.01603   119.67048    -3.82561
   29    24 S   S    _SG2    35     1.82639   111.58593   -60.58173
   30    27 S   CT   _CA3    26     1.45309   122.95505   176.82029
   31    30 S   HC   HA31    27     1.09558   107.57808   -62.20710
   32    30 S   HC   HA32    28     1.09564   107.85592    54.14742
   33    29 S   CT   _C10    36     1.84444    99.44789   178.51694
   34    33 S   HC   _H3_    37     1.09581   105.59058   -38.13568
   35    30 S   CO3  _C3_    29     1.52901   114.27192   176.12546
   36    35 S   O2Z  _O31    30     1.26336   116.09072     0.20367
   37    35 S   O2Z  _O32    31     1.26442   114.39126  -179.77015
   38    33 S   CA   _C9_    38     1.51815   111.81099    80.57289
   39    33 S   CM   _C11    51     1.51293   107.91973  -154.86596
   40    39 S   HC   _H9_    52     1.09116   115.80865   -50.14734
   41    38 S   CA   _C4_    39     1.40536   119.43056  -118.29631
   42    41 S   HA   _H6_    40     1.08784   120.24641    -0.12511
   43    39 S   CMA  _C12    53     1.35484   126.62852   127.75485
   44    43 S   OM   _O33    54     1.26657   125.81141     4.15732
   45    41 S   CA   _C5_    41     1.39684   120.93557   179.95154
   46    45 S   HA   _H7_    42     1.08611   119.31381  -179.93744
   47    43 S   OS   _O34    55     1.41528   109.46793  -177.24835
   48    45 S   CA   _C6_    43     1.39255   119.70272     0.14402
   49    47 S   CT   _C13    56     1.44632   119.55022   137.39180
   50    48 S   CA   _C7_    44     1.39174   120.12680     0.12195
   51    48 S   OH   _O40    49     1.36720   120.47348  -179.95577
   52    51 S   HO   _H19    50     0.97200   108.65977    -0.30519
   53    49 S   CT   _C14    57     1.54073   113.89255   -48.65502
   54    53 S   HC   _H10    58     1.09926   110.17885   176.75798
   55    53 S   HC   _H11    59     1.09558   111.79960    61.18888
   56    49 S   CO3  _C19    74     1.55749   109.09166    81.31705
   57    56 S   O2Z  _O38    75     1.26668   115.84615    46.77629
   58    56 S   O2Z  _O37    76     1.26568   115.71423  -135.07461
   59    38 S   CA   _C8_    45     1.40581   122.01088    62.07650
   60    59 S   HA   _H8_    46     1.08721   119.91494     0.01978
   61    50 S   OH   _O39    47     1.36774   119.29258   179.87180
   62    61 S   HO   _H18    48     0.97207   108.64231  -179.43837
   63    53 S   CT   _C15    60     1.52832   112.66481   -61.83078
   64    63 S   HC   _H4_    61     1.09447   111.03191    63.77018
   65    63 S   CT   _C16    62     1.52642   110.65203   -58.68243
   66    65 S   HC   _H12    63     1.09720   108.86336   177.73531
   67    65 S   HC   _H13    64     1.09779   109.43644   -66.73273
   68    63 S   OH   _O36    72     1.42657   109.54582  -178.05017
   69    68 S   HO   _H17    73     0.97448   107.19626   -53.99306
   70    65 S   CT   _C17    65     1.52573   111.96610    55.16177
   71    70 S   HC   _H5_    66     1.09597   109.47135  -172.58995
   72    49 S   CT   _C18    67     1.55390   106.06435  -167.80974
   73    72 S   HC   _H14    68     1.09836   109.65696   -50.15681
   74    72 S   HC   _H15    69     1.09837   109.54611  -167.90512
   75    70 S   OH   _O35    70     1.42529   109.72066    70.56918
   76    75 S   HO   _H16    71     0.97177   107.74206    58.28635
  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
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  12   7
  16   6   3   1  16   7   6   7   2   1   3   1   1   1  10   6
  11   6   5   2   1   6   5   4   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    59    60    61    39    40    43  
   40    43    44    47    49    41    59  
   43    44    47  
   42    45    46    48    50    59    60    51  
   45    46    48    59  
   44    47    49    53    72    56  
   47    49  
   46    48    50    59    61    51    52  
   48    50    51  
   49    53    54    55    63    70    72    73    74    56    57    58  
   50    59    60    61    62    51    52  
   53    54    55    63    64    65    70    71    72    73    74    75    68    56    57    58  
   59    60    61    62    51    52  
   52    59    61  
    0  
   54    55    63    64    65    66    67    70    72    73    74    68    69    56    57    58  
   55    63    64    65    72    68    56  
   63    64    65    72    68    56  
   57    58    63    70    72    73    74  
   58    72  
   72  
   60    61    62  
   61  
   62  
    0  
   64    65    66    67    70    71    72    75    68    69  
   65    66    67    70    68    69  
   66    67    70    71    72    73    74    75    76    68    69  
   67    70    71    72    75    68  
   70    71    72    75    68  
   69    70  
    0  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74    75    76  
   74    75  
   75  
   76  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    59   469.000  1.400
   50    61   450.000  1.364
   59    60   367.000  1.080
   61    62   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    53   268.000  1.529
   49    72   268.000  1.529
   49    56   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   553.000  0.945
   68    69   553.000  0.945
   56    57   656.000  1.250
   56    58   656.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    50    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    59    63.00000  120.00000
   48    50    61    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    59    60    35.00000  120.00000
   50    61    62    35.00000  113.00000
   59    38    41    63.00000  120.00000
   61    50    59    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    53    50.00000  109.50000
   47    49    72    50.00000  109.50000
   47    49    56    85.00000  109.63000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    63    58.35000  112.70000
   49    72    70    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   49    56    57    70.00000  117.00000
   49    56    58    70.00000  117.00000
   53    63    64    37.50000  110.70000
   53    63    65    58.35000  112.70000
   53    63    68    50.00000  109.50000
   55    53    54    33.00000  107.80000
   63    53    54    37.50000  110.70000
   63    53    55    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    70    58.35000  112.70000
   63    68    69    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    58.35000  112.70000
   65    70    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    55.00000  108.50000
   72    49    53    58.35000  112.70000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    50.00000  109.50000
   68    63    64    35.00000  109.50000
   68    63    65    50.00000  109.50000
   56    49    53    70.00000  109.69300
   56    49    72    70.00000  109.69300
   58    56    57    80.00000  126.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    50   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    50   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    59   3.62500 -1.0 2.0
   45    48    50    61   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -59    38   3.62500 -1.0 2.0
   48    50    59    60   3.62500 -1.0 2.0
   48    50    61    62   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    50    61    62   0.84100 -1.0 2.0
   61    50    59    38   3.62500 -1.0 2.0
   61    50    59    60   3.62500 -1.0 2.0
   51    48    50    59   3.62500 -1.0 2.0
   51    48    50    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53  -0.46850  1.0 1.0
   43    47    49    53   0.09300 -1.0 2.0
   43    47    49    53  -0.12850  1.0 3.0
   43    47    49    72  -0.46850  1.0 1.0
   43    47    49    72   0.09300 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   43    47    49    56  -0.48150  1.0 1.0
   43    47    49    56   0.09250 -1.0 2.0
   43    47    49    56  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    55   0.23400  1.0 3.0
   47    49    53    63   0.62750  1.0 1.0
   47    49    53    63  -0.30950 -1.0 2.0
   47    49    53    63   0.27300  1.0 3.0
   47    49    72    70   0.62750  1.0 1.0
   47    49    72    70  -0.30950 -1.0 2.0
   47    49    72    70   0.27300  1.0 3.0
   47    49    72    73   0.23400  1.0 3.0
   47    49    72    74   0.23400  1.0 3.0
   47    49    56    57   0.30150 -1.0 2.0
   47    49    56    58   0.30150 -1.0 2.0
   49    53    63    64   0.15000  1.0 3.0
   49    53    63    65   0.56750  1.0 1.0
   49    53    63    65  -0.07550 -1.0 2.0
   49    53    63    65   0.20000  1.0 3.0
   49    53    63    68   0.86500  1.0 1.0
   49    53    63    68  -0.17500 -1.0 2.0
   49    53    63    68   0.20800  1.0 3.0
   53    49    72    70   0.56750  1.0 1.0
   53    49    72    70  -0.07550 -1.0 2.0
   53    49    72    70   0.20000  1.0 3.0
   53    49    72    73   0.15000  1.0 3.0
   53    49    72    74   0.15000  1.0 3.0
   53    49    56    57   0.41150 -1.0 2.0
   53    49    56    58   0.41150 -1.0 2.0
   53    63    65    66   0.15000  1.0 3.0
   53    63    65    67   0.15000  1.0 3.0
   53    63   -65    70   0.56750  1.0 1.0
   53    63   -65    70  -0.07550 -1.0 2.0
   53    63   -65    70   0.20000  1.0 3.0
   53    63    68    69  -0.11600  1.0 1.0
   53    63    68    69  -0.09450 -1.0 2.0
   53    63    68    69   0.21250  1.0 3.0
   54    53    63    64   0.15000  1.0 3.0
   54    53    63    65   0.15000  1.0 3.0
   54    53    63    68   0.23400  1.0 3.0
   55    53    63    64   0.15000  1.0 3.0
   55    53    63    65   0.15000  1.0 3.0
   55    53    63    68   0.23400  1.0 3.0
   63    65    70    71   0.15000  1.0 3.0
   63    65    70    72   0.56750  1.0 1.0
   63    65    70    72  -0.07550 -1.0 2.0
   63    65    70    72   0.20000  1.0 3.0
   63    65    70    75   0.86500  1.0 1.0
   63    65    70    75  -0.17500 -1.0 2.0
   63    65    70    75   0.20800  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    70   0.15000  1.0 3.0
   64    63    68    69   0.19450  1.0 3.0
   65    63    68    69  -0.11600  1.0 1.0
   65    63    68    69  -0.09450 -1.0 2.0
   65    63    68    69   0.21250  1.0 3.0
   65    70   -72    49   0.56750  1.0 1.0
   65    70   -72    49  -0.07550 -1.0 2.0
   65    70   -72    49   0.20000  1.0 3.0
   65    70    72    73   0.15000  1.0 3.0
   65    70    72    74   0.15000  1.0 3.0
   65    70    75    76  -0.11600  1.0 1.0
   65    70    75    76  -0.09450 -1.0 2.0
   65    70    75    76   0.21250  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    75   0.23400  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    75   0.23400  1.0 3.0
   71    70    72    49   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.19450  1.0 3.0
   72    49    53    54   0.15000  1.0 3.0
   72    49    53    55   0.15000  1.0 3.0
   72    49   -53    63   0.56750  1.0 1.0
   72    49   -53    63  -0.07550 -1.0 2.0
   72    49   -53    63   0.20000  1.0 3.0
   72    49    56    57   0.41150 -1.0 2.0
   72    49    56    58   0.41150 -1.0 2.0
   72    70    75    76  -0.11600  1.0 1.0
   72    70    75    76  -0.09450 -1.0 2.0
   72    70    75    76   0.21250  1.0 3.0
   75    70    72    49   0.86500  1.0 1.0
   75    70    72    49  -0.17500 -1.0 2.0
   75    70    72    49   0.20800  1.0 3.0
   75    70    72    73   0.23400  1.0 3.0
   75    70    72    74   0.23400  1.0 3.0
   68    63    65    66   0.23400  1.0 3.0
   68    63    65    67   0.23400  1.0 3.0
   68    63    65    70   0.86500  1.0 1.0
   68    63    65    70  -0.17500 -1.0 2.0
   68    63    65    70   0.20800  1.0 3.0
   56    49    53    54  -0.11250  1.0 3.0
   56    49    53    55  -0.11250  1.0 3.0
   56    49    53    63  -1.63150  1.0 1.0
   56    49    53    63  -0.43550 -1.0 2.0
   56    49    53    63   0.24500  1.0 3.0
   56    49    72    70  -1.63150  1.0 1.0
   56    49    72    70  -0.43550 -1.0 2.0
   56    49    72    70   0.24500  1.0 3.0
   56    49    72    73  -0.11250  1.0 3.0
   56    49    72    74  -0.11250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   59    61    50    48   4.00000 -1.0 2.0
   50    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   57    49    56    58  10.50000 -1.0 2.0
END
