* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    126    205     373
    1     0 S   NP   _N1_     1    31.68103    99.83573   -19.92536
    2     1 S   H    _HN1     2     1.03469   166.70542  -111.80702
    3     1 S   H    _H1_     3     1.02711    59.58808  -125.92723
    4     1 S   H    _H2_     4     1.02836    80.87239   117.29282
    5     1 S   CT   _CA1     5     1.50523    72.96179     2.89124
    6     5 S   HC   _HA1     6     1.09505   104.30047   133.28539
    7     5 S   CO3  _C1_     7     1.54447   111.99878    17.43755
    8     7 S   O2Z  _O11     8     1.26129   116.60253  -139.43789
    9     7 S   O2Z  _O12     9     1.26637   114.19950    40.16603
   10     5 S   CT   _CB1    10     1.53192   106.88710  -110.04654
   11    10 S   HC   HB11    11     1.09612   109.77780   -35.15449
   12    10 S   HC   HB12    12     1.09802   109.90920    80.27510
   13    10 S   CT   _CG1    13     1.53395   112.90148  -158.11418
   14    13 S   HC   HG11    14     1.09571   110.56894  -103.82421
   15    13 S   HC   HG12    15     1.09582   111.99914    15.46902
   16    13 S   C    _CD1    16     1.51497   110.22995   136.22020
   17    16 S   O    _OE1    17     1.22827   122.04998   101.48476
   18    16 S   N    _N2_    18     1.38373   112.55950   -76.36833
   19    18 S   H    _HN2    19     1.02006   119.14900    -4.23110
   20    18 S   CT1  _CA2    20     1.45915   123.15136   174.80129
   21    20 S   HC   _HA2    21     1.09670   108.64073    32.84533
   22    20 S   C    _C2_    22     1.53169   108.56634   -84.05605
   23    22 S   O    _O2_    23     1.23122   121.15838   149.89092
   24    20 S   CT   _CB2    32     1.53272   112.04553   156.39287
   25    24 S   HC   HB21    33     1.09082   109.48076    62.22228
   26    24 S   HC   HB22    34     1.09560   109.91289   179.82868
   27    22 S   N    _N3_    24     1.38419   114.30004   -37.76623
   28    27 S   H    _HN3    25     1.01703   119.20652     1.59078
   29    24 S   S    _SG2    35     1.82481   111.37873   -60.14817
   30    27 S   CT   _CA3    26     1.45242   123.18321  -177.10971
   31    30 S   HC   HA31    27     1.09564   108.21884   -44.89870
   32    30 S   HC   HA32    28     1.09551   107.19132    71.42306
   33    29 S   CT   _C21    36     1.87184   101.82382   152.45714
   34    30 S   CO3  _C3_    29     1.52984   114.54717  -167.21997
   35    34 S   O2Z  _O31    30     1.26377   116.40736     0.56924
   36    34 S   O2Z  _O32    31     1.26477   114.34321  -179.67016
   37    33 S   CA   _C12    37     1.56158   109.58184    55.12876
   38    33 S   CO4  _C17    54     1.54918   107.61562   175.52158
   39    38 S   O    _O23    55     1.22742   125.85952    -3.22495
   40    33 S   CM   _C18    67     1.53156   112.42510   -76.48570
   41    37 S   CA   _C11    38     1.42235   122.94648    75.54687
   42    38 S   CA   _C9_    56     1.48134   115.97124   177.49837
   43    40 S   CMA  _C20    68     1.52288   124.83507    -2.76145
   44    43 S   OM   _O20    69     1.26273   121.20105   100.46485
   45    43 S   OM   _O21    70     1.26267   120.17154   -81.12494
   46    41 S   CA   _C7_    39     1.40970   121.63834   176.00987
   47    46 S   HA   _H31    40     1.08905   120.20488  -178.95995
   48    41 S   CO4  _C19    51     1.48198   123.94552    -5.96289
   49    48 S   O    _O24    52     1.22603   122.12731   153.55900
   50    48 S   HC   _H33    53     1.09711   117.88256   -27.63403
   51    42 S   CA   _C5_    57     1.39784   119.82207   146.25535
   52    51 S   HA   _H29    58     1.08671   121.05402     0.93167
   53    46 S   CA   _C13    41     1.39314   121.19690     2.48120
   54    51 S   CA   _C4_    59     1.39341   119.49043  -178.03816
   55    54 S   HA   _H28    60     1.08636   119.97782   179.50425
   56    53 S   CA   _C8_    42     1.39036   118.45421    -0.50435
   57    56 S   HA   _H32    43     1.08786   119.39061   179.70326
   58    53 S   CT   _C22    47     1.49821   120.72081  -178.75573
   59    58 S   HC   _H34    48     1.09434   109.99131    87.86234
   60    58 S   HC   _H35    49     1.09513   110.99571  -151.67083
   61    58 S   HC   _H36    50     1.09512   110.92710   -32.64063
   62    54 S   CA   _C6_    61     1.39504   120.07520    -0.32746
   63    62 S   HA   _H30    62     1.08687   119.59901  -179.94405
   64    37 S   CA   _C15    44     1.41686   121.80226  -104.81072
   65    62 S   CA   _C14    63     1.39663   120.13906    -0.45241
   66    64 S   OH   _O26    45     1.36989   120.52317     4.28345
   67    66 S   HO   _H38    46     0.97117   110.25429   179.91607
   68    42 S   CA   _C10    64     1.39792   119.11381   -32.74136
   69    65 S   OH   _O25    71     1.36837   116.35017  -179.17078
   70    69 S   HO   _H37    72     0.97459   108.61669   177.29470
   71    68 S   CO4  _C16    65     1.48080   118.87689    -4.77212
   72    71 S   O    _O22    66     1.22432   121.21347  -172.14667
  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  10   5   4   3
  18   2   1   1  18  12   4  10  10  10   5   2   1  12   4   4
   1   1   8   4   8   6   3   8   3   4   2   1   1   6   3   2
   5   1   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    64    38    39    42    71    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    56    64    66    48    38    39    42    51    68    71    72    40    43    44    45  
   35    36  
   36  
    0  
   41    46    47    53    56    57    64    66    67    48    49    50    38    39    42    71    40    43  
   39    42    51    52    54    65    68    71    40    43    41    64  
   42    51    68    40  
   43    44    45    41    42    64    65    68    71    72  
   46    47    53    56    64    66    58    48    49    50  
   51    52    54    55    62    65    68    71    72    69  
   44    45    68    71    72  
   45    71  
   71  
   47    53    56    57    64    58    59    60    61    48    49    50  
   53    56    58    48  
   49    50    53    64  
   50  
    0  
   52    54    55    62    63    65    68    71  
   54    55    62    68  
   56    57    64    66    58    59    60    61  
   55    62    63    65    68    69  
   62    63    65  
   57    64    66    67    58    59    60    61  
   64    66    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    65    68    71    69    70  
   65    68    69  
   66    67  
   68    71    72    69    70  
   67  
    0  
   71    72    69    70  
   70    71  
    0  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   317.000  1.510
   37    41   469.000  1.400
   37    64   469.000  1.400
   41    46   469.000  1.400
   41    48   310.000  1.470
   46    47   367.000  1.080
   46    53   469.000  1.400
   53    56   469.000  1.400
   53    58   317.000  1.510
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    51   469.000  1.400
   42    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    69   450.000  1.364
   68    71   310.000  1.470
   71    72   570.000  1.229
   71    40   320.000  1.462
   40    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    37    41    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    71    65.00000  116.34900
   33    40    43    70.00000  124.00000
   37    41    46    63.00000  120.00000
   37    41    48    60.00000  119.52600
   37    64    56    63.00000  120.00000
   37    64    66    70.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    53    63.00000  120.00000
   41    48    49    75.00000  123.78400
   41    48    50    35.00000  115.00000
   46    53    56    63.00000  120.00000
   46    53    58    70.00000  120.00000
   53    46    47    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   56    64    66    70.00000  120.00000
   64    37    41    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    66    67    35.00000  113.00000
   58    53    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    41    46    60.00000  119.52600
   50    48    49    35.00000  123.00000
   38    33    37    70.00000  110.93000
   38    42    51    60.00000  119.52600
   38    42    68    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    51    52    35.00000  120.00000
   42    51    54    63.00000  120.00000
   42    68    65    63.00000  120.00000
   42    68    71    60.00000  119.52600
   51    54    55    35.00000  120.00000
   51    54    62    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    65    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    69    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    71    60.00000  119.52600
   65    69    70    35.00000  113.00000
   68    42    51    63.00000  120.00000
   68    71    72    75.00000  123.78400
   68    71    40    65.00000  117.02400
   71    40    43    60.00000  125.92000
   40    33    37    70.00000  112.99600
   40    33    38    70.00000  109.06800
   40    71    72    80.00000  123.72100
   40    43    44    65.00000  137.10300
   40    43    45    65.00000  137.10300
   45    43    44    65.00000  121.00000
   69    65    68    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    71   0.09700  1.0 1.0
   29    33    40    71   0.15600 -1.0 2.0
   29    33    40    71  -0.50800  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    41    48   3.62500 -1.0 2.0
   33    37    64    56   3.62500 -1.0 2.0
   33    37    64    66   3.62500 -1.0 2.0
   33    38    42    51   2.26350  1.0 1.0
   33    38    42    51   0.76750 -1.0 2.0
   33    38    42    51   0.22500  1.0 3.0
   33    38    42    68   2.26350  1.0 1.0
   33    38    42    68   0.76750 -1.0 2.0
   33    38    42    68   0.22500  1.0 3.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.65300  1.0 1.0
   37    33    38    42  -0.03850 -1.0 2.0
   37    33    38    42   0.33900  1.0 3.0
   37    33    40    71   0.09700  1.0 1.0
   37    33    40    71   0.15600 -1.0 2.0
   37    33    40    71  -0.50800  1.0 3.0
   37    33    40    43   1.44450  1.0 1.0
   37    33    40    43   0.06600 -1.0 2.0
   37    33    40    43   0.29250  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41    46    53   3.62500 -1.0 2.0
   37    41    48    49   1.05000 -1.0 2.0
   37    41    48    50   0.56600 -1.0 2.0
   37    64    66    67   0.84100 -1.0 2.0
   41    37    64    56   3.62500 -1.0 2.0
   41    37    64    66   3.62500 -1.0 2.0
   41    46   -53    56   3.62500 -1.0 2.0
   41    46    53    58   3.62500 -1.0 2.0
   46    41    48    49   1.05000 -1.0 2.0
   46    41    48    50   0.56600 -1.0 2.0
   46    53    56    57   3.62500 -1.0 2.0
   46    53    56    64   3.62500 -1.0 2.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    60   0.00000  1.0 1.0
   46    53    58    61   0.00000  1.0 1.0
   47    46    53    56   3.62500 -1.0 2.0
   47    46    53    58   3.62500 -1.0 2.0
   53    56   -64    37   3.62500 -1.0 2.0
   53    56    64    66   3.62500 -1.0 2.0
   56    53    58    59   0.00000  1.0 1.0
   56    53    58    60   0.00000  1.0 1.0
   56    53    58    61   0.00000  1.0 1.0
   56    64    66    67   0.84100 -1.0 2.0
   57    56    64    37   3.62500 -1.0 2.0
   57    56    64    66   3.62500 -1.0 2.0
   64    37   -41    46   3.62500 -1.0 2.0
   64    37    41    48   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    64   3.62500 -1.0 2.0
   48    41    46    47   3.62500 -1.0 2.0
   48    41    46    53   3.62500 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33    37    64   0.04300 -1.0 2.0
   38    33    40    71   0.09700  1.0 1.0
   38    33    40    71   0.15600 -1.0 2.0
   38    33    40    71  -0.50800  1.0 3.0
   38    33    40    43  -0.51250  1.0 1.0
   38    33    40    43  -0.88800 -1.0 2.0
   38    33    40    43   0.08850  1.0 3.0
   38    42    51    52   3.62500 -1.0 2.0
   38    42    51    54   3.62500 -1.0 2.0
   38    42    68    65   3.62500 -1.0 2.0
   38    42   -68    71   3.62500 -1.0 2.0
   39    38    42    51   1.05000 -1.0 2.0
   39    38    42    68   1.05000 -1.0 2.0
   42    51    54    55   3.62500 -1.0 2.0
   42    51    54    62   3.62500 -1.0 2.0
   42    68    71    72   1.05000 -1.0 2.0
   42    68    71    40  -0.11500  1.0 1.0
   42    68    71    40   1.10450 -1.0 2.0
   42    68    71    40  -0.48050  1.0 3.0
   51    42    68    65   3.62500 -1.0 2.0
   51    42    68    71   3.62500 -1.0 2.0
   51    54    62    63   3.62500 -1.0 2.0
   51    54   -62    65   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    62   3.62500 -1.0 2.0
   54    62    65    68   3.62500 -1.0 2.0
   54    62    65    69   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    65   -68    42   3.62500 -1.0 2.0
   62    65    68    71   3.62500 -1.0 2.0
   62    65    69    70   0.84100 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    68    71    72   1.05000 -1.0 2.0
   65    68    71    40  -0.11500  1.0 1.0
   65    68    71    40   1.10450 -1.0 2.0
   65    68    71    40  -0.48050  1.0 3.0
   68    42    51    52   3.62500 -1.0 2.0
   68    42   -51    54   3.62500 -1.0 2.0
   68    65    69    70   0.84100 -1.0 2.0
   68    71   -40    33   1.50000 -1.0 2.0
   68    71    40    43  -1.65800  1.0 1.0
   68    71    40    43   0.77650 -1.0 2.0
   71    40    43    44   7.00000 -1.0 2.0
   71    40    43    45   7.00000 -1.0 2.0
   72    71    40    33  -0.64400  1.0 1.0
   72    71    40    33   0.26850 -1.0 2.0
   72    71    40    43   1.00000 -1.0 2.0
   40    33    37    41   0.18050 -1.0 2.0
   40    33    37    64   0.18050 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   69    65    68    42   3.62500 -1.0 2.0
   69    65    68    71   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   41    64    37    33   4.00000 -1.0 2.0
   46    48    41    37   4.00000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   56    58    53    46   4.00000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   56    66    64    37   4.00000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   51    68    42    38   4.00000 -1.0 2.0
   54    52    51    42   1.10000 -1.0 2.0
   62    55    54    51   1.10000 -1.0 2.0
   65    63    62    54   1.10000 -1.0 2.0
   68    69    65    62   4.00000 -1.0 2.0
   65    71    68    42   4.00000 -1.0 2.0
   68    40    71    72  10.50000 -1.0 2.0
   33    71    40    43   1.10000 -1.0 2.0
   44    45    43    40   1.10000 -1.0 2.0
END
