* LIGAND DATABASE FILE (OPLS2005)
*
001      68    72    127    215     375
    1     0 S   NP   _N1_     1    28.19844    97.18546   -22.33474
    2     1 S   H    _HN1     2     1.02957    73.61198   -11.16881
    3     1 S   H    _H1_     3     1.02835    37.56433   140.92185
    4     1 S   H    _H2_     4     1.02776   103.13889  -116.72003
    5     1 S   CT   _CA1     5     1.50126   140.02391    91.21635
    6     5 S   HC   _HA1     6     1.09574   105.22082    88.99474
    7     5 S   CO3  _C1_     7     1.53790   112.36857   -31.20856
    8     7 S   O2Z  _O11     8     1.26365   114.99882   -43.88243
    9     7 S   O2Z  _O12     9     1.26236   114.93308   135.24218
   10     5 S   CT   _CB1    10     1.53098   107.42362  -153.08770
   11    10 S   HC   HB11    11     1.09826   109.34516   -50.50078
   12    10 S   HC   HB12    12     1.09816   110.42127    66.05977
   13    10 S   CT   _CG1    13     1.53014   112.66263  -171.57247
   14    13 S   HC   HG11    14     1.09595   110.48393   -64.14454
   15    13 S   HC   HG12    15     1.09656   109.92464    55.05219
   16    13 S   C    _CD1    16     1.51838   112.33021   175.43202
   17    16 S   O    _OE1    17     1.22748   123.28837    -0.04846
   18    16 S   N    _N2_    18     1.38551   111.68531   179.95154
   19    18 S   H    _HN2    19     1.01554   119.03940     4.57106
   20    18 S   CT1  _CA2    20     1.45863   122.93038   178.12278
   21    20 S   HC   _HA2    21     1.09721   108.94259    23.79507
   22    20 S   C    _C2_    22     1.52913   106.87018   -93.33496
   23    22 S   O    _O2_    23     1.23000   122.98448   -27.82409
   24    20 S   CT   _CB2    32     1.53168   112.19791   146.96586
   25    24 S   HC   HB21    33     1.09601   110.18649    55.08577
   26    24 S   HC   HB22    34     1.09463   109.96247   174.00534
   27    22 S   N    _N3_    24     1.38492   112.66913   154.86175
   28    27 S   H    _HN3    25     1.01667   120.37337    -1.74226
   29    24 S   S    _SG2    35     1.82580   111.15625   -65.65751
   30    27 S   CT   _CA3    26     1.45356   122.37559   178.63958
   31    30 S   HC   HA31    27     1.09572   107.64417   -58.62834
   32    30 S   HC   HA32    28     1.09568   107.73702    57.65420
   33    29 S   CT   _C23    36     1.84885    99.54218   170.70185
   34    33 S   HC   _H3_    37     1.10006   104.50436   -57.98774
   35    30 S   CO3  _C3_    29     1.52869   114.44473   179.48149
   36    35 S   O2Z  _O31    30     1.26316   116.10432    -2.59947
   37    35 S   O2Z  _O32    31     1.26452   114.38873   177.44189
   38    33 S   CM   _C21    38     1.50914   109.29859  -169.79554
   39    38 S   HC   _H32    39     1.08623   120.06316    21.48625
   40    38 S   CM   _C20    40     1.33915   121.09884  -161.00753
   41    40 S   HC   _H31    41     1.08452   120.53476  -178.37057
   42    40 S   CA   _C18    42     1.46867   120.54767    -0.46855
   43    42 S   CA   _C11    43     1.39765   118.60383  -164.23680
   44    43 S   HA   _H30    44     1.08942   119.45730     0.44587
   45    42 S   CA   _C19    65     1.41661   121.25475    16.39817
   46    43 S   CA   _C14    45     1.39833   121.02750   179.97202
   47    33 S   CT   _C22    66     1.57201   115.82352    60.36797
   48    47 S   OM   _O21    67     1.32751   110.95637    52.82902
   49    47 S   HC   _H33    68     1.09927   103.02235   -77.00575
   50    46 S   CA   _C9_    46     1.40126   120.36773  -179.37787
   51    50 S   HA   _H28    47     1.08837   120.54338     0.08847
   52    46 S   CR3  _C17    63     1.41449   119.80123     0.69154
   53    50 S   CA   _C7_    48     1.39390   120.93004  -179.94405
   54    53 S   HA   _H26    49     1.08794   118.76318  -179.94766
   55    56 S   CR3  _C16    64     1.41621   119.30304    -0.06256
   56    53 S   CA   _C12    50     1.39808   120.55713     0.16432
   57    56 S   CA   _C5_    51     1.40272   120.99962   179.85463
   58    57 S   HA   _H24    52     1.08797   120.60744     0.12033
   59    57 S   CA   _C4_    53     1.39270   120.58994  -179.82196
   60    59 S   HA   _H23    54     1.08627   119.99556   179.96044
   61    59 S   CA   _C6_    55     1.39263   120.01320     0.05595
   62    61 S   HA   _H25    56     1.08795   118.83627   179.87489
   63    61 S   CA   _C13    57     1.40294   120.57531    -0.08623
   64    63 S   CA   _C8_    58     1.39512   121.15909   179.78420
   65    64 S   HA   _H27    59     1.08800   120.72743    -0.22117
   66    64 S   CA   _C10    60     1.39684   120.62773   179.95577
   67    66 S   HA   _H29    61     1.08755   116.91738   179.36665
   68    66 S   CA   _C15    62     1.41242   122.18650    -0.23739
  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
  11   7   2   1   1   9   4   8   3  11  10   4  10  10   5   2
   1   8   4  10   7   3  11   8   6   3   5   3   5   2   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    68    45    47    48    49  
   38    39    40    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    45    47    48    49  
   40    41    42    47  
   41    42    43    44    46    68    45    47  
   42    43    45  
   43    44    46    50    66    68    52    45    47    48    49  
   44    46    50    51    53    68    52    55    45    47  
   46    50    52    45  
   47    48    49    46    52    55    64    66    67    68  
   50    51    53    54    56    63    66    68    52    55  
   48    49    52    66    68  
   49    68  
   68  
   51    53    54    56    57    68    52    55  
   53    54    56    52  
   55    53    56    57    61    63    64    66    67    68  
   54    56    57    58    59    63    55  
   56    57    55  
   56    57    58    59    61    62    63    64    65    66    68  
   57    58    59    60    61    63    64    68  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65    66  
   63    64  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   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  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    45   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    50   469.000  1.400
   46    52   490.000  1.398
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   469.000  1.400
   56    55   490.000  1.398
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    55   490.000  1.398
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    52   490.000  1.398
   68    45   469.000  1.400
   52    55   490.000  1.398
   45    47   317.000  1.510
   47    48   570.000  1.307
   47    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    70.00000  112.17500
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    45    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    44    35.00000  120.00000
   42    43    46    63.00000  120.00000
   42    45    68    63.00000  120.00000
   42    45    47    70.00000  120.00000
   43    46    50    63.00000  120.00000
   43    46    52    70.00000  112.88000
   46    43    44    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    53    63.00000  120.00000
   46    52    68    60.00000  130.80000
   46    52    55    60.00000  130.80000
   50    53    54    35.00000  120.00000
   50    53    56    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    56    57    63.00000  120.00000
   53    56    55    70.00000  112.88000
   56    53    54    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    55    63    60.00000  130.80000
   56    55    52    60.00000  130.80000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    55    70.00000  112.88000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    55    52    60.00000  130.80000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    52    70.00000  112.88000
   66    68    45    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    52    55    60.00000  130.80000
   68    45    47    70.00000  120.00000
   52    46    50    70.00000  112.88000
   55    56    57    70.00000  112.88000
   55    63    64    70.00000  112.88000
   45    42    43    63.00000  120.00000
   45    68    52    70.00000  112.88000
   45    47    48    85.00000  111.85700
   45    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   49    47    48    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.43200  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.21200  1.0 1.0
   38    33    47    45   0.16900 -1.0 2.0
   38    33    47    45  -1.15100  1.0 3.0
   38    33    47    48   0.61850  1.0 1.0
   38    33    47    48  -0.22750 -1.0 2.0
   38    33    47    48   0.15300  1.0 3.0
   38    33    47    49   0.15000  1.0 3.0
   38    40    42    43   0.15800  1.0 1.0
   38    40    42    43   1.85350 -1.0 2.0
   38    40    42    43  -0.48700  1.0 3.0
   38    40   -42    45   0.15800  1.0 1.0
   38    40   -42    45   1.85350 -1.0 2.0
   38    40   -42    45  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    45    68   3.62500 -1.0 2.0
   40    42    45    47   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    45   0.56550  1.0 3.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    46    52   3.62500 -1.0 2.0
   42    45   -47    33   0.04150 -1.0 2.0
   42    45    47    48   0.64500  1.0 1.0
   42    45    47    48   0.14800 -1.0 2.0
   42    45    47    48   0.20650  1.0 3.0
   42    45    47    49   0.00000  1.0 1.0
   43    42    45    68   3.62500 -1.0 2.0
   43    42    45    47   3.62500 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46    50    53   3.62500 -1.0 2.0
   43    46   -52    68   3.62500 -1.0 2.0
   43    46    52    55   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   44    43    46    52   3.62500 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    56   3.62500 -1.0 2.0
   46    52   -55    56   3.62500 -1.0 2.0
   46    52    55    63   3.62500 -1.0 2.0
   50    46    52    68   3.62500 -1.0 2.0
   50    46    52    55   3.62500 -1.0 2.0
   50    53    56    57   3.62500 -1.0 2.0
   50    53   -56    55   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    56   3.62500 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    55    63   3.62500 -1.0 2.0
   53    56    55    52   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    55   3.62500 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    55    63   3.62500 -1.0 2.0
   57    56    55    52   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    55   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63   -55    56   3.62500 -1.0 2.0
   61    63    55    52   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    55   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    55    56   3.62500 -1.0 2.0
   64    63    55    52   3.62500 -1.0 2.0
   64    66   -68    52   3.62500 -1.0 2.0
   64    66    68    45   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    52    46   3.62500 -1.0 2.0
   66    68    52    55   3.62500 -1.0 2.0
   66    68    45    42   3.62500 -1.0 2.0
   66    68    45    47   3.62500 -1.0 2.0
   67    66    68    52   3.62500 -1.0 2.0
   67    66    68    45   3.62500 -1.0 2.0
   68    52    55    56   3.62500 -1.0 2.0
   68    52   -55    63   3.62500 -1.0 2.0
   68    45    47    33   0.04150 -1.0 2.0
   68    45    47    48   0.64500  1.0 1.0
   68    45    47    48   0.14800 -1.0 2.0
   68    45    47    48   0.20650  1.0 3.0
   68    45    47    49   0.00000  1.0 1.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46   -50    53   3.62500 -1.0 2.0
   52    68   -45    42   3.62500 -1.0 2.0
   52    68    45    47   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56   -57    59   3.62500 -1.0 2.0
   55    63    64    65   3.62500 -1.0 2.0
   55    63   -64    66   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    46   3.62500 -1.0 2.0
   45    68   -52    46   3.62500 -1.0 2.0
   45    68    52    55   3.62500 -1.0 2.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   50    52    46    43   4.00000 -1.0 2.0
   53    51    50    46   1.10000 -1.0 2.0
   56    54    53    50   1.10000 -1.0 2.0
   57    55    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    55    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   52    45    68    66   4.00000 -1.0 2.0
   68    55    52    46   4.00000 -1.0 2.0
   63    52    55    56   4.00000 -1.0 2.0
   68    47    45    42   4.00000 -1.0 2.0
END
