* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    211     384
    1     0 S   NP   _N1_     1    28.12914    97.00040   -22.05322
    2     1 S   H    _HN1     2     1.02953    74.44144   -16.58340
    3     1 S   H    _H1_     3     1.02834    37.48122   133.33075
    4     1 S   H    _H2_     4     1.02776   101.76254  -122.56061
    5     1 S   CT   _CA1     5     1.50143   141.05803    86.80533
    6     5 S   HC   _HA1     6     1.09577   105.20498    87.54298
    7     5 S   CO3  _C1_     7     1.53797   112.13839   -32.59945
    8     7 S   O2Z  _O11     8     1.26371   115.00330   -48.30725
    9     7 S   O2Z  _O12     9     1.26217   114.92745   130.48161
   10     5 S   CT   _CB1    10     1.53079   107.37486  -154.64241
   11    10 S   HC   HB11    11     1.09833   109.40716   -50.27248
   12    10 S   HC   HB12    12     1.09811   110.44382    66.29947
   13    10 S   CT   _CG1    13     1.53015   112.61216  -171.25855
   14    13 S   HC   HG11    14     1.09567   110.45901   -64.50449
   15    13 S   HC   HG12    15     1.09651   109.89067    54.71614
   16    13 S   C    _CD1    16     1.51841   112.14321   175.35105
   17    16 S   O    _OE1    17     1.22783   123.21023     6.86936
   18    16 S   N    _N2_    18     1.38550   111.92916  -173.61844
   19    18 S   H    _HN2    19     1.01658   118.99814     3.82439
   20    18 S   CT1  _CA2    20     1.45821   122.68050   178.84276
   21    20 S   HC   _HA2    21     1.09740   108.69866    27.29176
   22    20 S   C    _C2_    22     1.52935   107.17332   -89.81995
   23    22 S   O    _O2_    23     1.22968   123.06831   -27.19902
   24    20 S   CT   _CB2    32     1.53347   112.51746   150.28455
   25    24 S   HC   HB21    33     1.09367   109.72160    58.44554
   26    24 S   HC   HB22    34     1.09408   109.39739   176.74695
   27    22 S   N    _N3_    24     1.38494   112.52252   155.54835
   28    27 S   H    _HN3    25     1.01647   120.37224    -1.99968
   29    24 S   S    _SG2    35     1.83060   110.76880   -63.74220
   30    27 S   CT   _CA3    26     1.45350   122.50565   178.55382
   31    30 S   HC   HA31    27     1.09565   107.78630   -56.70010
   32    30 S   HC   HA32    28     1.09563   107.63937    59.64396
   33    29 S   CT   _C21    36     1.92721   102.14022   164.41572
   34    30 S   CO3  _C3_    29     1.52897   114.29130  -178.53687
   35    34 S   O2Z  _O31    30     1.26344   116.05195     1.20138
   36    34 S   O2Z  _O32    31     1.26439   114.41923  -178.82430
   37    33 S   CA   _C12    37     1.56038   112.47042   -55.50900
   38    33 S   CO4  _C16    54     1.54881    99.93239    66.51938
   39    38 S   O    _O21    55     1.23196   122.48570   -85.39015
   40    33 S   CT   _C20    67     1.54545   107.05074  -176.66951
   41    40 S   HC   _H34    68     1.09857   108.88675    51.76397
   42    37 S   CA   _C11    38     1.41934   124.75568   -37.99654
   43    38 S   CA   _C9_    56     1.48802   119.31787    88.54379
   44    40 S   CO3  _C19    69     1.54373   115.06237   170.36149
   45    44 S   O2Z  _O20    70     1.26477   114.49226  -103.62296
   46    44 S   O2Z  _O24    71     1.26218   116.19703    76.60802
   47    42 S   CA   _C7_    39     1.41054   121.81128   175.64396
   48    47 S   HA   _H31    40     1.08921   120.14963  -178.22524
   49    42 S   CO4  _C18    51     1.47850   124.19269    -7.67059
   50    49 S   O    _O23    52     1.22573   121.83894   148.27422
   51    49 S   HC   _H33    53     1.09855   117.58003   -32.45604
   52    43 S   CA   _C5_    57     1.40420   118.25137  -177.37811
   53    52 S   HA   _H29    58     1.08748   121.14459    -2.35999
   54    47 S   CA   _C13    41     1.39286   121.20651     3.89154
   55    52 S   CA   _C4_    59     1.39421   120.53163   177.19746
   56    55 S   HA   _H28    60     1.08626   120.01471  -179.93744
   57    54 S   CA   _C8_    42     1.38970   118.35525     0.41212
   58    57 S   HA   _H32    43     1.08765   119.46421   178.16794
   59    54 S   CT   _C22    47     1.49796   120.72108  -178.80663
   60    59 S   HC   _H35    48     1.09435   109.97580    86.67009
   61    59 S   HC   _H36    49     1.09513   111.07029  -152.89524
   62    59 S   HC   _H37    50     1.09513   110.89185   -33.83515
   63    55 S   CA   _C6_    61     1.39061   119.91759    -0.23821
   64    63 S   HA   _H30    62     1.08669   119.74013  -179.87333
   65    37 S   CA   _C15    44     1.41859   120.41933   144.84000
   66    63 S   CA   _C14    63     1.39487   119.85367     0.39614
   67    65 S   OH   _O26    45     1.37295   120.16526     6.19562
   68    67 S   HO   _H39    46     0.97152   109.71116   175.74099
   69    43 S   CA   _C10    64     1.39796   122.01141     0.08156
   70    66 S   OH   _O25    72     1.36949   115.81669   179.41987
   71    70 S   HO   _H38    73     0.97393   108.82519   179.00751
   72    69 S   CO4  _C17    65     1.48026   119.70782     4.60632
   73    72 S   O    _O22    66     1.22864   120.30190  -166.47852
  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
  19   2   1   1  19  13   4  11   6  10  10   5   2   1  12   4
   4   1   1   8   4   8   6   3   8   3   4   2   1   1   6   3
   2   5   1   1   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    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    42    65    38    39    43    72    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    47    57    65    67    49    38    39    43    52    69    72    73    40    41    44    45    46  
   35    36  
   36  
    0  
   42    47    48    54    57    58    65    67    68    49    50    51    38    39    43    72    40    41    44  
   39    43    52    53    55    66    69    72    40    41    44    42    65  
   43    52    69    40  
   41    44    45    46    42    43    65    66    69    72    73  
   44    45    46    69    72    73  
   47    48    54    57    65    67    59    49    50    51  
   52    53    55    56    63    66    69    72    73    70  
   45    46    69    72    73  
   46    72  
   72  
   48    54    57    58    65    59    60    61    62    49    50    51  
   54    57    59    49  
   50    51    54    65  
   51  
    0  
   53    55    56    63    64    66    69    72  
   55    56    63    69  
   57    58    65    67    59    60    61    62  
   56    63    64    66    69    70  
   63    64    66  
   58    65    67    68    59    60    61    62  
   65    67    59  
   60    61    62    65  
   61    62  
   62  
    0  
   64    66    69    72    70    71  
   66    69    70  
   67    68  
   69    72    73    70    71  
   68  
    0  
   72    73    70    71  
   71    72  
    0  
   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   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    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    42   469.000  1.400
   37    65   469.000  1.400
   42    47   469.000  1.400
   42    49   310.000  1.470
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    59   317.000  1.510
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    52   469.000  1.400
   43    69   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   469.000  1.400
   66    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
   70    71   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    42    70.00000  120.00000
   33    37    65    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   37    42    47    63.00000  120.00000
   37    42    49    60.00000  119.52600
   37    65    57    63.00000  120.00000
   37    65    67    70.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    49    50    75.00000  123.78400
   42    49    51    35.00000  115.00000
   47    54    57    63.00000  120.00000
   47    54    59    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    65    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   57    65    67    70.00000  120.00000
   65    37    42    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    67    68    35.00000  113.00000
   59    54    57    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    42    47    60.00000  119.52600
   51    49    50    35.00000  123.00000
   38    33    37    70.00000  110.93000
   38    43    52    60.00000  119.52600
   38    43    69    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    52    53    35.00000  120.00000
   43    52    55    63.00000  120.00000
   43    69    66    63.00000  120.00000
   43    69    72    60.00000  119.52600
   52    55    56    35.00000  120.00000
   52    55    63    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    66    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    66    70    70.00000  120.00000
   66    63    64    35.00000  120.00000
   66    69    72    60.00000  119.52600
   66    70    71    35.00000  113.00000
   69    43    52    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    44    70.00000  107.85200
   40    33    37    70.00000  112.17500
   40    33    38    63.00000  111.10000
   40    72    73    80.00000  120.40000
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   70    66    69    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    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    65  -0.16000  1.0 1.0
   29    33    37    65  -0.03200 -1.0 2.0
   29    33    37    65   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    47   3.62500 -1.0 2.0
   33    37    42    49   3.62500 -1.0 2.0
   33    37    65    57   3.62500 -1.0 2.0
   33    37    65    67   3.62500 -1.0 2.0
   33    38    43    52   2.26350  1.0 1.0
   33    38    43    52   0.76750 -1.0 2.0
   33    38    43    52   0.22500  1.0 3.0
   33    38    43    69   2.26350  1.0 1.0
   33    38    43    69   0.76750 -1.0 2.0
   33    38    43    69   0.22500  1.0 3.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    43   0.65300  1.0 1.0
   37    33    38    43  -0.03850 -1.0 2.0
   37    33    38    43   0.33900  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    44  -2.95950  1.0 1.0
   37    33    40    44   0.02300  1.0 3.0
   37    42    47    48   3.62500 -1.0 2.0
   37    42    47    54   3.62500 -1.0 2.0
   37    42    49    50   1.05000 -1.0 2.0
   37    42    49    51   0.56600 -1.0 2.0
   37    65    67    68   0.84100 -1.0 2.0
   42    37    65    57   3.62500 -1.0 2.0
   42    37    65    67   3.62500 -1.0 2.0
   42    47   -54    57   3.62500 -1.0 2.0
   42    47    54    59   3.62500 -1.0 2.0
   47    42    49    50   1.05000 -1.0 2.0
   47    42    49    51   0.56600 -1.0 2.0
   47    54    57    58   3.62500 -1.0 2.0
   47    54    57    65   3.62500 -1.0 2.0
   47    54    59    60   0.00000  1.0 1.0
   47    54    59    61   0.00000  1.0 1.0
   47    54    59    62   0.00000  1.0 1.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    59   3.62500 -1.0 2.0
   54    57   -65    37   3.62500 -1.0 2.0
   54    57    65    67   3.62500 -1.0 2.0
   57    54    59    60   0.00000  1.0 1.0
   57    54    59    61   0.00000  1.0 1.0
   57    54    59    62   0.00000  1.0 1.0
   57    65    67    68   0.84100 -1.0 2.0
   58    57    65    37   3.62500 -1.0 2.0
   58    57    65    67   3.62500 -1.0 2.0
   65    37   -42    47   3.62500 -1.0 2.0
   65    37    42    49   3.62500 -1.0 2.0
   59    54    57    58   3.62500 -1.0 2.0
   59    54    57    65   3.62500 -1.0 2.0
   49    42    47    48   3.62500 -1.0 2.0
   49    42    47    54   3.62500 -1.0 2.0
   38    33    37    42   0.04300 -1.0 2.0
   38    33    37    65   0.04300 -1.0 2.0
   38    33    40    72   0.11950  1.0 1.0
   38    33    40    72   0.20300 -1.0 2.0
   38    33    40    72  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44  -0.30950  1.0 1.0
   38    33    40    44   1.11150 -1.0 2.0
   38    33    40    44   0.40350  1.0 3.0
   38    43    52    53   3.62500 -1.0 2.0
   38    43    52    55   3.62500 -1.0 2.0
   38    43    69    66   3.62500 -1.0 2.0
   38    43   -69    72   3.62500 -1.0 2.0
   39    38    43    52   1.05000 -1.0 2.0
   39    38    43    69   1.05000 -1.0 2.0
   43    52    55    56   3.62500 -1.0 2.0
   43    52    55    63   3.62500 -1.0 2.0
   43    69    72    73   1.05000 -1.0 2.0
   43    69    72    40   2.26350  1.0 1.0
   43    69    72    40   0.76750 -1.0 2.0
   43    69    72    40   0.22500  1.0 3.0
   52    43    69    66   3.62500 -1.0 2.0
   52    43    69    72   3.62500 -1.0 2.0
   52    55    63    64   3.62500 -1.0 2.0
   52    55   -63    66   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    63   3.62500 -1.0 2.0
   55    63    66    69   3.62500 -1.0 2.0
   55    63    66    70   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    66   3.62500 -1.0 2.0
   63    66   -69    43   3.62500 -1.0 2.0
   63    66    69    72   3.62500 -1.0 2.0
   63    66    70    71   0.84100 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    69    72    73   1.05000 -1.0 2.0
   66    69    72    40   2.26350  1.0 1.0
   66    69    72    40   0.76750 -1.0 2.0
   66    69    72    40   0.22500  1.0 3.0
   69    43    52    53   3.62500 -1.0 2.0
   69    43   -52    55   3.62500 -1.0 2.0
   69    66    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    44   0.65300  1.0 1.0
   69    72    40    44  -0.03850 -1.0 2.0
   69    72    40    44   0.33900  1.0 3.0
   72    40    44    45   0.30150 -1.0 2.0
   72    40    44    46   0.30150 -1.0 2.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    44   0.30150 -1.0 2.0
   40    33    37    42   0.04150 -1.0 2.0
   40    33    37    65   0.04150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   70    66    69    43   3.62500 -1.0 2.0
   70    66    69    72   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
   42    65    37    33   4.00000 -1.0 2.0
   47    49    42    37   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    59    54    47   4.00000 -1.0 2.0
   65    58    57    54   1.10000 -1.0 2.0
   57    67    65    37   4.00000 -1.0 2.0
   42    51    49    50  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   52    69    43    38   4.00000 -1.0 2.0
   55    53    52    43   1.10000 -1.0 2.0
   63    56    55    52   1.10000 -1.0 2.0
   66    64    63    55   1.10000 -1.0 2.0
   69    70    66    63   4.00000 -1.0 2.0
   66    72    69    43   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
