* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    202     382
    1     0 S   NP   _N1_     1    30.88364    91.67174   -16.61656
    2     1 S   H    _HN1     2     1.03107   130.67019   123.38034
    3     1 S   H    _H1_     3     1.02742    29.03238    80.38821
    4     1 S   H    _H2_     4     1.03253   108.85539   -11.32717
    5     1 S   CT   _CA1     5     1.49867    85.00724  -122.96721
    6     5 S   HC   _HA1     6     1.09560   105.43638    51.35322
    7     5 S   CO3  _C1_     7     1.53815   112.38659   -69.14962
    8     7 S   O2Z  _O11     8     1.26359   115.32037   -52.44001
    9     7 S   O2Z  _O12     9     1.26283   114.84604   126.94278
   10     5 S   CT   _CB1    10     1.52820   107.03472   169.22749
   11    10 S   HC   HB11    11     1.09842   109.62832   -51.74410
   12    10 S   HC   HB12    12     1.09670   109.82240    64.18286
   13    10 S   CT   _CG1    13     1.53050   113.38284  -173.16270
   14    13 S   HC   HG11    14     1.09551   111.53397   -59.40365
   15    13 S   HC   HG12    15     1.09554   110.70223    60.38131
   16    13 S   C    _CD1    16     1.51427   109.48425  -179.78330
   17    16 S   O    _OE1    17     1.22761   121.98219  -104.20010
   18    16 S   N    _N2_    18     1.38473   112.42155    73.86918
   19    18 S   H    _HN2    19     1.01588   118.99045     6.58830
   20    18 S   CT1  _CA2    20     1.46068   123.51317  -171.11392
   21    20 S   HC   _HA2    21     1.09711   109.50977    -7.15541
   22    20 S   C    _C2_    22     1.53274   108.54548  -123.40445
   23    22 S   O    _O2_    23     1.23019   122.21289  -144.20618
   24    20 S   CT   _CB2    32     1.53525   110.79513   114.51105
   25    24 S   HC   HB21    33     1.09578   109.62649    58.06714
   26    24 S   HC   HB22    34     1.09516   110.51598   177.05762
   27    22 S   N    _N3_    24     1.38496   113.41674    43.01027
   28    27 S   H    _HN3    25     1.01526   118.97200    -0.32203
   29    24 S   S    _SG2    35     1.82847   111.79643   -62.71098
   30    27 S   CT   _CA3    26     1.45430   123.26729   175.52582
   31    30 S   HC   HA31    27     1.09539   108.99803    28.53074
   32    30 S   HC   HA32    28     1.09491   107.16679   145.46762
   33    29 S   CT   _C14    36     1.83043    99.70988   169.98828
   34    33 S   HC   _H4_    37     1.09725   108.46553     0.43069
   35    30 S   CO3  _C3_    29     1.52934   113.34376   -94.80390
   36    35 S   O2Z  _O31    30     1.26384   115.50737   -42.93900
   37    35 S   O2Z  _O32    31     1.26374   114.92234   138.05431
   38    33 S   CO4  _C15    38     1.51362   107.12566   114.27380
   39    38 S   O    _O35    39     1.23161   121.63507   -79.21534
   40    38 S   CM   _C16    40     1.48162   119.39707    98.19944
   41    40 S   HC   _H10    41     1.08364   114.85077  -173.63016
   42    40 S   CM   _C17    42     1.34380   122.23335     5.68706
   43    42 S   CT   _C11    43     1.52259   122.84937     1.88242
   44    42 S   OS   _O36    69     1.38646   124.45345  -178.87639
   45    43 S   CO4  _C12    44     1.52661   108.03656  -115.72075
   46    45 S   O    _O34    45     1.21698   127.06965    63.58148
   47    43 S   OS   _O33    55     1.46312   107.76055   132.30668
   48    33 S   CT   _C13    60     1.54017   115.56996  -120.52997
   49    48 S   HC   _H3_    61     1.10384   106.14471   167.94538
   50    44 S   CT   _C18    70     1.42186   118.45514     1.96344
   51    50 S   HC   _H11    71     1.09406   107.85322   179.00260
   52    50 S   HC   _H12    72     1.09478   111.01313    61.03742
   53    50 S   HC   _H13    73     1.09470   110.96984   -63.07712
   54    45 S   CA   _C8_    46     1.45605   108.07526  -114.63302
   55    48 S   CO4  _C19    62     1.53140   111.46890    55.96354
   56    55 S   O    _O37    63     1.22265   125.91043  -122.56160
   57    54 S   CA   _C7_    47     1.40144   130.63945  -179.01623
   58    57 S   OM   _O39    48     1.27655   125.11737     0.52526
   59    55 S   OS   _O38    64     1.36801   109.33755    58.54614
   60    57 S   CA   _C6_    49     1.41672   112.42224   179.72024
   61    60 S   HA   _H8_    50     1.09288   118.31807  -179.64392
   62    59 S   CT   _C20    65     1.43105   115.33874  -178.62755
   63    62 S   HC   _H14    66     1.09321   108.06354  -175.74264
   64    62 S   HC   _H15    67     1.09385   109.89931    65.83728
   65    62 S   HC   _H16    68     1.09422   110.64092   -56.90986
   66    60 S   CA   _C5_    51     1.41772   124.13395     0.26907
   67    66 S   CA   _C10    52     1.39449   119.56774    -1.22573
   68    67 S   HA   _H9_    53     1.08474   121.39815  -178.79585
   69    66 S   CT   _C4_    56     1.49996   119.94369  -178.51470
   70    69 S   HC   _H5_    57     1.09430   109.97843    84.65321
   71    69 S   HC   _H6_    58     1.09511   111.02399  -154.91381
   72    69 S   HC   _H7_    59     1.09503   110.79703   -35.89537
   73    54 S   CA   _C9_    54     1.38656   104.61696     0.21850
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4   8   3  14  14   7  11   5   9   7
   3   3   2   1   1   8   6   2   7   4   4   9   3   3   2   1
   1   7   6   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    48    49    55    56    59  
   38    39    40    43    48    49    55  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    55    44  
   40    41    42    48  
   41    42    43    45    47    48    44    50  
   42    43    44  
   43    45    46    54    73    47    48    49    55    44    50    51    52    53  
   45    46    54    57    67    73    47    48    49    55    56    59    44    50  
   50    51    52    53    45    47    48  
   46    54    57    58    60    67    73    47    48    49    55  
   54    57    73    47    48  
   48    49    55    54    57    66    67    68    73  
   49    55    56    59    62    54    73  
   55    56    59  
   51    52    53  
   52    53  
   53  
    0  
   57    58    60    61    66    67    68    73  
   56    59    62    63    64    65  
   59    62  
   58    60    61    66    67    73    69  
   60    61    66    73  
   62    63    64    65  
   61    66    67    68    73    69    70    71    72  
   66    67    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    0  
    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   1.4250   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   59   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    47   320.000  1.410
   43    48   268.000  1.529
   45    46   570.000  1.229
   45    54   310.000  1.470
   54    57   469.000  1.400
   54    73   469.000  1.400
   57    58   450.000  1.364
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    47   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    59   214.000  1.327
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    47    85.00000  110.90400
   42    43    48    70.00000  112.02700
   42    44    50    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    54    65.00000  115.47100
   43    47    73    75.00000  111.00000
   43    48    49    37.50000  110.70000
   43    48    55    63.00000  111.10000
   45    54    57    60.00000  119.52600
   45    54    73    60.00000  119.52600
   54    45    46    75.00000  123.78400
   54    57    58    70.00000  120.00000
   54    57    60    63.00000  120.00000
   54    73    67    63.00000  120.00000
   54    73    47    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   60    57    58    70.00000  120.00000
   60    66    67    63.00000  120.00000
   60    66    69    70.00000  120.00000
   66    60    61    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    47    70.00000  120.00000
   73    54    57    63.00000  120.00000
   73    67    68    35.00000  120.00000
   47    43    45    90.00000  108.74100
   69    66    67    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    45    63.00000  111.10000
   48    43    47    50.00000  109.50000
   48    55    56    80.00000  120.40000
   48    55    59    81.00000  111.40000
   55    48    49    35.00000  109.50000
   55    59    62    83.00000  116.90000
   59    55    56    83.00000  123.40000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.01700  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    48    55    56   0.30150 -1.0 2.0
   33    48    55    59   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55  -0.11250  1.0 3.0
   38    33    48    43  -0.95700  1.0 1.0
   38    33    48    43  -0.18200 -1.0 2.0
   38    33    48    43   0.29450  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    55   0.11950  1.0 1.0
   38    33    48    55   0.20300 -1.0 2.0
   38    33    48    55  -0.70800  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    47   0.39000  1.0 1.0
   40    42    43    47  -0.05800 -1.0 2.0
   40    42    43    47  -0.55150  1.0 3.0
   40    42    43    48   0.09850  1.0 1.0
   40    42    43    48   0.15250 -1.0 2.0
   40    42    43    48  -0.50650  1.0 3.0
   40    42    44    50  -2.26850  1.0 1.0
   40    42    44    50   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    54   0.65300  1.0 1.0
   42    43    45    54  -0.03850 -1.0 2.0
   42    43    45    54   0.33900  1.0 3.0
   42    43    47    73  -0.25600  1.0 1.0
   42    43    47    73  -0.40050 -1.0 2.0
   42    43    47    73   0.34700  1.0 3.0
   42    43   -48    33   0.34400  1.0 1.0
   42    43   -48    33   0.09450 -1.0 2.0
   42    43   -48    33   0.11100  1.0 3.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    55  -0.98800  1.0 1.0
   42    43    48    55   0.48800 -1.0 2.0
   42    43    48    55   0.76800  1.0 3.0
   42    44    50    51   0.08050  1.0 3.0
   42    44    50    52   0.08050  1.0 3.0
   42    44    50    53   0.08050  1.0 3.0
   43    42    44    50   2.00000 -1.0 2.0
   43    45    54    57   2.26350  1.0 1.0
   43    45    54    57   0.76750 -1.0 2.0
   43    45    54    57   0.22500  1.0 3.0
   43    45   -54    73   2.26350  1.0 1.0
   43    45   -54    73   0.76750 -1.0 2.0
   43    45   -54    73   0.22500  1.0 3.0
   43    48    55    56   0.30150 -1.0 2.0
   43    48    55    59   0.36750  1.0 3.0
   45    43   -47    73  -0.25600  1.0 1.0
   45    43   -47    73  -0.40050 -1.0 2.0
   45    43   -47    73   0.34700  1.0 3.0
   45    43    48    33  -0.95700  1.0 1.0
   45    43    48    33  -0.18200 -1.0 2.0
   45    43    48    33   0.29450  1.0 3.0
   45    43    48    49  -0.11250  1.0 3.0
   45    43    48    55   0.11950  1.0 1.0
   45    43    48    55   0.20300 -1.0 2.0
   45    43    48    55  -0.70800  1.0 3.0
   45    54    57    58   3.62500 -1.0 2.0
   45    54    57    60   3.62500 -1.0 2.0
   45    54    73    67   3.62500 -1.0 2.0
   45    54   -73    47   3.62500 -1.0 2.0
   46    45    54    57   1.05000 -1.0 2.0
   46    45    54    73   1.05000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    66   3.62500 -1.0 2.0
   54    73   -47    43   1.63200 -1.0 2.0
   57    54    73    67   3.62500 -1.0 2.0
   57    54    73    47   3.62500 -1.0 2.0
   57    60   -66    67   3.62500 -1.0 2.0
   57    60    66    69   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    73   3.62500 -1.0 2.0
   60    66    69    70   0.00000  1.0 1.0
   60    66    69    71   0.00000  1.0 1.0
   60    66    69    72   0.00000  1.0 1.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   66    67   -73    54   3.62500 -1.0 2.0
   66    67    73    47   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    47    43   1.63200 -1.0 2.0
   68    67    73    54   3.62500 -1.0 2.0
   68    67    73    47   3.62500 -1.0 2.0
   73    54    57    58   3.62500 -1.0 2.0
   73    54   -57    60   3.62500 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43   -45    54   0.65300  1.0 1.0
   47    43   -45    54  -0.03850 -1.0 2.0
   47    43   -45    54   0.33900  1.0 3.0
   47    43    48    33   0.62750  1.0 1.0
   47    43    48    33  -0.30950 -1.0 2.0
   47    43    48    33   0.27300  1.0 3.0
   47    43    48    49   0.23400  1.0 3.0
   47    43    48    55  -0.09450  1.0 1.0
   47    43    48    55  -1.12950 -1.0 2.0
   47    43    48    55   0.54000  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    43    45    46   0.30150 -1.0 2.0
   48    43    45    54   0.05850 -1.0 2.0
   48    43    45    54   0.17250  1.0 3.0
   48    43    47    73  -0.32850  1.0 1.0
   48    43    47    73  -0.35800 -1.0 2.0
   48    43    47    73   0.33950  1.0 3.0
   48    55    59    62   1.63150  1.0 1.0
   48    55    59    62   2.92000 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    59   0.00000  1.0 1.0
   55    59    62    63   0.08050  1.0 3.0
   55    59    62    64   0.08050  1.0 3.0
   55    59    62    65   0.08050  1.0 3.0
   56    55    59    62   3.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  1.0 3.0
   44    42    43    48   0.09700  1.0 1.0
   44    42    43    48   0.15600 -1.0 2.0
   44    42    43    48  -0.50800  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
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    54    45    46  10.50000 -1.0 2.0
   57    73    54    45   4.00000 -1.0 2.0
   60    58    57    54   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   67    69    66    60   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    47    73    54   4.00000 -1.0 2.0
   48    59    55    56  10.50000 -1.0 2.0
END
