* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    201     381
    1     0 S   NP   _N1_     1    30.06248    97.81858   -17.75419
    2     1 S   H    _HN1     2     1.02771    66.70204   -75.18203
    3     1 S   H    _H1_     3     1.02955    79.98003    39.98985
    4     1 S   H    _H2_     4     1.02826    60.71376   156.02489
    5     1 S   CT   _CA1     5     1.50179   168.81847  -162.38212
    6     5 S   HC   _HA1     6     1.09593   105.05593    20.86289
    7     5 S   CO3  _C1_     7     1.53704   112.64058   -98.78424
    8     7 S   O2Z  _O11     8     1.26348   115.06648   -36.28850
    9     7 S   O2Z  _O12     9     1.26264   114.93288   142.61790
   10     5 S   CT   _CB1    10     1.53090   107.33578   138.47488
   11    10 S   HC   HB11    11     1.09820   108.84839   -51.79893
   12    10 S   HC   HB12    12     1.09785   110.51327    64.52658
   13    10 S   CT   _CG1    13     1.52999   112.92603  -173.03601
   14    13 S   HC   HG11    14     1.09592   110.46638   -71.35055
   15    13 S   HC   HG12    15     1.09690   109.88693    47.76195
   16    13 S   C    _CD1    16     1.51891   112.49382   167.66950
   17    16 S   O    _OE1    17     1.22715   123.40746     1.22972
   18    16 S   N    _N2_    18     1.38557   111.52647  -177.95302
   19    18 S   H    _HN2    19     1.01594   118.81636    -2.23388
   20    18 S   CT1  _CA2    20     1.46214   123.69017   175.52044
   21    20 S   HC   _HA2    21     1.09734   109.34049   -11.08955
   22    20 S   C    _C2_    22     1.53504   108.09362  -126.35876
   23    22 S   O    _O2_    23     1.23029   122.42477  -149.39217
   24    20 S   CT   _CB2    32     1.53282   111.57493   111.48729
   25    24 S   HC   HB21    33     1.09343   109.62013    53.74224
   26    24 S   HC   HB22    34     1.09506   110.51962   171.65341
   27    22 S   N    _N3_    24     1.38378   113.48399    38.12074
   28    27 S   H    _HN3    25     1.01641   119.45168    -3.39286
   29    24 S   S    _SG2    35     1.83007   111.35162   -70.04489
   30    27 S   CT   _CA3    26     1.45277   123.21219   177.19446
   31    30 S   HC   HA31    27     1.09548   107.50863   -64.90188
   32    30 S   HC   HA32    28     1.09558   107.98426    51.53547
   33    29 S   CT   _C17    36     1.87852   101.62011   142.63758
   34    30 S   CO3  _C3_    29     1.52950   114.07994   173.55363
   35    34 S   O2Z  _O31    30     1.26372   116.05163     0.08156
   36    34 S   O2Z  _O32    31     1.26432   114.41479  -179.86583
   37    33 S   CT   _C16    37     1.54542   107.19587   154.54131
   38    37 S   HC   _H9_    38     1.09781   110.57348   -51.35700
   39    37 S   HC   _H10    39     1.09649   110.66814  -168.50798
   40    33 S   OS   _O36    69     1.44164   111.52958    31.98475
   41    37 S   CO4  _C15    40     1.51521   114.21421    70.21293
   42    41 S   O    _O35    41     1.23038   121.33860  -157.12640
   43    40 S   CT   _C18    70     1.41991   117.27232    74.35354
   44    43 S   HC   _H11    71     1.09369   107.88336  -169.76649
   45    43 S   HC   _H12    72     1.09337   110.60966    72.68683
   46    43 S   HC   _H13    73     1.09290   112.00026   -50.80816
   47    41 S   CM   _C14    42     1.48110   119.32228    25.08484
   48    47 S   HC   _H8_    43     1.08495   116.85631  -179.01028
   49    47 S   CM   _C13    44     1.34011   120.05675     1.90670
   50    33 S   CT   _C11    45     1.57184   109.70850   -87.01896
   51    49 S   CO4  _C19    62     1.48102   114.71848  -179.12240
   52    51 S   O    _O37    63     1.22180   123.83395    49.39341
   53    50 S   CO4  _C12    46     1.52906   110.97358   168.88559
   54    53 S   O    _O34    47     1.21791   126.60793    67.81580
   55    50 S   OS   _O33    57     1.45176   110.18858    54.05266
   56    51 S   OS   _O38    64     1.35636   109.08381  -129.82860
   57    53 S   CA   _C8_    48     1.45450   107.89301  -112.60814
   58    56 S   CT   _C20    65     1.43011   115.75294  -179.01008
   59    58 S   HC   _H14    66     1.09328   108.03931  -167.94062
   60    58 S   HC   _H15    67     1.09266   109.48925    73.86299
   61    58 S   HC   _H16    68     1.09428   111.14446   -48.95755
   62    57 S   CA   _C7_    49     1.40036   130.79779   177.20138
   63    62 S   OM   _O39    50     1.27613   125.14061    -0.84233
   64    62 S   CA   _C6_    51     1.41712   112.33162   179.08507
   65    64 S   HA   _H6_    52     1.09286   118.25972  -179.55765
   66    64 S   CA   _C5_    53     1.41828   124.18228     0.35332
   67    66 S   CA   _C10    54     1.39427   119.58055    -1.07938
   68    67 S   HA   _H7_    55     1.08449   121.37729  -178.64261
   69    66 S   CT   _C4_    58     1.49989   119.94911  -178.33611
   70    69 S   HC   _H3_    59     1.09430   109.97939    84.80214
   71    69 S   HC   _H4_    60     1.09513   111.01277  -154.77074
   72    69 S   HC   _H5_    61     1.09502   110.80513   -35.75435
   73    57 S   CA   _C9_    56     1.38693   104.39771    -3.68291
  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  12   6   5   9   6   3   4   2   1   1   8   3
  10  10   8   2   8   4   6   4   8   3   2   1   1   7   4   9
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    50    53    55    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    49    50    53    54    57    73    55    51    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    50    53    55    40    43  
   39    41    42    47    50    40  
   41    42    47    50    40  
   43    44    45    46    41    49    50    53    55  
   42    47    48    49    50    51  
   47    48    49  
   44    45    46    50  
   45    46  
   46  
    0  
   48    49    50    53    55    51    52    56  
   49    50    51  
   50    53    54    57    73    55    51    52    56    58  
   53    54    57    62    67    73    55    51    52    56  
   52    56    58    59    60    61    53    55  
   56    58  
   54    57    62    63    64    67    73    55  
   57    62    73    55  
   57    62    66    67    68    73  
   58    59    60    61  
   62    63    64    65    66    67    68    73  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    73    69  
   64    65    66    73  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   268.000  1.529
   33    50   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   320.000  1.462
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    51   320.000  1.462
   50    53   317.000  1.522
   50    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    62   469.000  1.400
   57    73   469.000  1.400
   62    63   450.000  1.364
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    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    55   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    50    49    70.00000  112.02700
   33    50    53    63.00000  111.10000
   33    50    55    50.00000  109.50000
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    40.00000  117.72500
   41    47    49    65.00000  118.96000
   47    41    42    80.00000  123.72100
   47    49    50    70.00000  124.00000
   47    49    51    65.00000  118.96000
   49    47    48    35.00000  120.00000
   49    50    53    70.00000  109.06800
   49    50    55    85.00000  110.90400
   49    51    52    80.00000  123.72100
   49    51    56    90.00000  111.29400
   50    33    37    58.35000  112.70000
   50    53    54    80.00000  120.40000
   50    53    57    65.00000  115.47100
   50    55    73    75.00000  111.00000
   53    57    62    60.00000  119.52600
   53    57    73    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    62    63    70.00000  120.00000
   57    62    64    63.00000  120.00000
   57    73    67    63.00000  120.00000
   57    73    55    70.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    70.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    70.00000  120.00000
   66    64    65    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    55    70.00000  120.00000
   73    57    62    63.00000  120.00000
   73    67    68    35.00000  120.00000
   55    50    53    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
   51    49    50    65.00000  116.34900
   51    56    58    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    50    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    55   0.56750  1.0 1.0
   29    33    50    55  -0.07550 -1.0 2.0
   29    33    50    55   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.65300  1.0 1.0
   33    37    41    47  -0.03850 -1.0 2.0
   33    37    41    47   0.33900  1.0 3.0
   33    50    53    54   0.30150 -1.0 2.0
   33    50    53    57   0.05850 -1.0 2.0
   33    50    53    57   0.17250  1.0 3.0
   33    50    55    73  -0.32850  1.0 1.0
   33    50    55    73  -0.35800 -1.0 2.0
   33    50    55    73   0.33950  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    50    49   0.34400  1.0 1.0
   37    33    50    49   0.09450 -1.0 2.0
   37    33    50    49   0.11100  1.0 3.0
   37    33    50    53  -0.95700  1.0 1.0
   37    33    50    53  -0.18200 -1.0 2.0
   37    33    50    53   0.29450  1.0 3.0
   37    33    50    55   0.62750  1.0 1.0
   37    33    50    55  -0.30950 -1.0 2.0
   37    33    50    55   0.27300  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41    47    48   0.04550  1.0 1.0
   37    41    47    48   0.83000 -1.0 2.0
   37    41    47    48  -0.04000  1.0 3.0
   37    41   -47    49  -0.33500  1.0 1.0
   37    41   -47    49   1.06600 -1.0 2.0
   37    41   -47    49  -0.14000  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    49    50   7.00000 -1.0 2.0
   41    47    49    51   7.00000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   1.00000 -1.0 2.0
   47    49   -50    33   0.09850  1.0 1.0
   47    49   -50    33   0.15250 -1.0 2.0
   47    49   -50    33  -0.50650  1.0 3.0
   47    49    50    53  -0.51250  1.0 1.0
   47    49    50    53  -0.88800 -1.0 2.0
   47    49    50    53   0.08850  1.0 3.0
   47    49    50    55   0.39000  1.0 1.0
   47    49    50    55  -0.05800 -1.0 2.0
   47    49    50    55  -0.55150  1.0 3.0
   47    49    51    52   1.00000 -1.0 2.0
   47    49    51    56  -0.56150  1.0 1.0
   47    49    51    56   2.19150 -1.0 2.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    50    53    54   0.30150 -1.0 2.0
   49    50    53    57   0.65300  1.0 1.0
   49    50    53    57  -0.03850 -1.0 2.0
   49    50    53    57   0.33900  1.0 3.0
   49    50    55    73  -0.25600  1.0 1.0
   49    50    55    73  -0.40050 -1.0 2.0
   49    50    55    73   0.34700  1.0 3.0
   49    51    56    58   2.00000 -1.0 2.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    41  -0.95700  1.0 1.0
   50    33   -37    41  -0.18200 -1.0 2.0
   50    33   -37    41   0.29450  1.0 3.0
   50    33    40    43   0.06250  1.0 1.0
   50    33    40    43  -0.01100 -1.0 2.0
   50    33    40    43   0.28050  1.0 3.0
   50    49    51    52  -0.64400  1.0 1.0
   50    49    51    52   0.26850 -1.0 2.0
   50    49    51    56  -0.15000  1.0 1.0
   50    49    51    56   0.89550 -1.0 2.0
   50    49    51    56  -0.06900  1.0 3.0
   50    53    57    62   2.26350  1.0 1.0
   50    53    57    62   0.76750 -1.0 2.0
   50    53    57    62   0.22500  1.0 3.0
   50    53   -57    73   2.26350  1.0 1.0
   50    53   -57    73   0.76750 -1.0 2.0
   50    53   -57    73   0.22500  1.0 3.0
   53    50   -55    73  -0.25600  1.0 1.0
   53    50   -55    73  -0.40050 -1.0 2.0
   53    50   -55    73   0.34700  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    64   3.62500 -1.0 2.0
   53    57    73    67   3.62500 -1.0 2.0
   53    57   -73    55   3.62500 -1.0 2.0
   54    53    57    62   1.05000 -1.0 2.0
   54    53    57    73   1.05000 -1.0 2.0
   57    62    64    65   3.62500 -1.0 2.0
   57    62    64    66   3.62500 -1.0 2.0
   57    73   -55    50   1.63200 -1.0 2.0
   62    57    73    67   3.62500 -1.0 2.0
   62    57    73    55   3.62500 -1.0 2.0
   62    64   -66    67   3.62500 -1.0 2.0
   62    64    66    69   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    73   3.62500 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    67   -73    57   3.62500 -1.0 2.0
   66    67    73    55   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    55    50   1.63200 -1.0 2.0
   68    67    73    57   3.62500 -1.0 2.0
   68    67    73    55   3.62500 -1.0 2.0
   73    57    62    63   3.62500 -1.0 2.0
   73    57   -62    64   3.62500 -1.0 2.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50   -53    57   0.65300  1.0 1.0
   55    50   -53    57  -0.03850 -1.0 2.0
   55    50   -53    57   0.33900  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   51    49    50    33   0.09700  1.0 1.0
   51    49    50    33   0.15600 -1.0 2.0
   51    49    50    33  -0.50800  1.0 3.0
   51    49    50    53   0.09700  1.0 1.0
   51    49    50    53   0.15600 -1.0 2.0
   51    49    50    53  -0.50800  1.0 3.0
   51    49    50    55   0.09700  1.0 1.0
   51    49    50    55   0.15600 -1.0 2.0
   51    49    50    55  -0.50800  1.0 3.0
   51    56    58    59   0.08050  1.0 3.0
   51    56    58    60   0.08050  1.0 3.0
   51    56    58    61   0.08050  1.0 3.0
   52    51    56    58   3.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    50    49   0.61850  1.0 1.0
   40    33    50    49  -0.22750 -1.0 2.0
   40    33    50    49   0.15300  1.0 3.0
   40    33    50    53  -0.09450  1.0 1.0
   40    33    50    53  -1.12950 -1.0 2.0
   40    33    50    53   0.54000  1.0 3.0
   40    33    50    55   1.11900  1.0 1.0
   40    33    50    55  -1.16350 -1.0 2.0
   40    33    50    55  -0.34150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   41    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   62    73    57    53   4.00000 -1.0 2.0
   64    63    62    57   4.00000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    55    73    57   4.00000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
END
