* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    122    190     358
    1     0 S   NP   _N1_     1    29.14793    97.37083   -24.09961
    2     1 S   H    _HN1     2     1.02957    65.06281     9.84343
    3     1 S   H    _H1_     3     1.02833    42.31721  -178.23608
    4     1 S   H    _H2_     4     1.02778   115.69881   -89.46571
    5     1 S   CT   _CA1     5     1.50175   130.46119   105.99056
    6     5 S   HC   _HA1     6     1.09581   105.12868   103.34234
    7     5 S   CO3  _C1_     7     1.53732   112.45552   -16.64785
    8     7 S   O2Z  _O11     8     1.26362   114.96879   -40.68109
    9     7 S   O2Z  _O12     9     1.26236   114.90790   138.18985
   10     5 S   CT   _CB1    10     1.53072   107.38085  -138.85004
   11    10 S   HC   HB11    11     1.09833   109.07313   -50.64210
   12    10 S   HC   HB12    12     1.09813   110.48925    65.82150
   13    10 S   CT   _CG1    13     1.53067   112.84700  -171.75331
   14    13 S   HC   HG11    14     1.09583   110.54912   -68.95828
   15    13 S   HC   HG12    15     1.09671   109.84838    50.29563
   16    13 S   C    _CD1    16     1.51882   112.18467   170.46863
   17    16 S   O    _OE1    17     1.22744   123.18062     5.10561
   18    16 S   N    _N2_    18     1.38687   111.78703  -174.30109
   19    18 S   H    _HN2    19     1.01578   119.03616     0.13848
   20    18 S   CT1  _CA2    20     1.46209   123.32220   176.86706
   21    20 S   HC   _HA2    21     1.09754   109.14672     5.30149
   22    20 S   C    _C2_    22     1.53791   109.75018  -110.02872
   23    22 S   O    _O2_    23     1.23134   121.93252  -154.86085
   24    20 S   CT   _CB2    32     1.53453   111.46670   127.07929
   25    24 S   HC   HB21    33     1.09581   110.22183    53.46216
   26    24 S   HC   HB22    34     1.09408   109.75992   172.71692
   27    22 S   N    _N3_    24     1.38380   114.18338    32.69293
   28    27 S   H    _HN3    25     1.01436   119.03423    -0.53119
   29    24 S   S    _SG2    35     1.82776   111.37810   -67.83363
   30    27 S   CT   _CA3    26     1.45422   123.40154   175.30610
   31    30 S   HC   HA31    27     1.09490   109.19054    28.55902
   32    30 S   HC   HA32    28     1.09498   107.21293   145.48082
   33    29 S   CT   _C16    36     1.85116   100.33986   171.83117
   34    33 S   HC   _H5_    37     1.09566   107.16980   -57.29022
   35    30 S   CO3  _C3_    29     1.52857   112.88263   -94.80295
   36    35 S   O2Z  _O31    30     1.26407   115.22146   -52.14486
   37    35 S   O2Z  _O32    31     1.26331   115.07537   128.65632
   38    33 S   CM   _C11    38     1.52755   110.21277    62.35749
   39    38 S   CT   _C12    39     1.51506   113.82127    76.28127
   40    39 S   HC   _H10    40     1.09270   113.01607  -179.37255
   41    39 S   HC   _H11    41     1.09737   108.99878   -62.38459
   42    38 S   CM   _C10    53     1.34659   119.47895  -106.63121
   43    42 S   HC   _H9_    54     1.08490   118.68975     0.11703
   44    39 S   CT1  _C13    42     1.53077   109.59254    59.16987
   45    44 S   HC   _H4_    43     1.09856   108.65488    68.66892
   46    42 S   CD   _C9_    55     1.48409   125.12979   177.67948
   47    46 S   HC   _H8_    56     1.09922   115.57881    -4.68839
   48    44 S   NE   _N6_    44     1.45416   110.65943   -49.89669
   49    48 S   H    _H12    45     1.01816   117.80557  -166.02260
   50    44 S   CO3  _C17    50     1.53992   114.51892  -171.98127
   51    50 S   O2Z  _O40    51     1.26390   116.46463     0.96611
   52    50 S   O2Z  _O39    52     1.26689   114.90092  -177.39271
   53    46 S   NI   _N5_    57     1.28584   129.27908   177.17707
   54    33 S   CM   _C14    46     1.51696   108.17625  -175.06636
   55    53 S   CT1  _C7_    58     1.46651   120.84340    -3.20644
   56    55 S   HC   _H3_    59     1.09774   110.43291   -45.83609
   57    54 S   CMA  _C15    47     1.53988   121.32470    80.81381
   58    57 S   OM   _O37    48     1.26478   120.66694  -166.77764
   59    57 S   OM   _O38    49     1.26386   121.58223    14.00244
   60    55 S   C5A  _C5_    60     1.48866   113.22655    78.04149
   61    55 S   CO3  _C8_    68     1.54401   106.40100  -163.03067
   62    61 S   O2Z  _O36    69     1.26500   116.36949   -59.68974
   63    61 S   O2Z  _O35    70     1.26621   114.57438   120.33765
   64    60 S   C5BD _C4_    61     1.37621   134.90813    10.11552
   65    64 S   HA   _H6_    62     1.07959   127.47373     0.81685
   66    64 S   C5BB _C6_    63     1.40029   103.34899  -178.30962
   67    66 S   N5A  _N4_    64     1.33104   113.56221    -0.60328
   68    66 S   OH   _O34    66     1.34102   128.63461   178.61506
   69    68 S   HO   _H7_    67     0.97428   109.71294    -5.65246
   70    60 S   OA   _O33    65     1.36764   115.86484  -168.40606
  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   8   5   4   3
  15   6   2   1   1  14  13   6   5   7   3   8   6   6   2   8
   3   3   1   1   8   3  10   6   2   1   1   9   4   1   1   6
   4   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    58    59    42    43    46  
   38    39    48    54    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    44    54  
   46    47    53  
   45    48    49    54    57    50    51    52  
   48    49    54    50    51    52  
   47    53    55    56    60    61  
   53    55  
   49    54    57    58    59    50    51    52  
   54    57    50  
   51    52    54  
   52  
    0  
   55    56    60    64    70    61    62    63  
   57    58    59  
   56    60    64    65    66    67    70    61    62    63  
   60    64    70    61    62    63  
   58    59  
   59  
    0  
   64    65    66    67    70    68    61    62    63  
   62    63    64    70  
   63  
    0  
   65    66    67    70    68    69  
   66    67    70    68  
   67    70    68    69  
   70    68    69  
   69    70  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.077500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0700   0.233000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.455000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.184000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.608000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.413000   1.8650   1.6500   0.001000000  -0.511443539
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.9000   0.1400  -0.122000   1.6450   1.4500   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    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    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    57   465.000  1.376
   57    58   745.000  1.250
   57    59   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   320.000  1.464
   46    47   370.000  1.093
   46    53   500.000  1.261
   53    55   315.000  1.431
   55    56   340.000  1.090
   55    60   295.000  1.489
   55    61   317.000  1.522
   60    64   546.000  1.367
   60    70   340.000  1.360
   64    65   367.000  1.080
   64    66   469.000  1.421
   66    67   410.000  1.320
   66    68   450.000  1.364
   67    70   462.000  1.399
   68    69   553.000  0.945
   61    62   656.000  1.250
   61    63   656.000  1.250
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    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    57    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  120.31500
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    57    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    57    58    65.00000  137.10300
   54    57    59    65.00000  137.10300
   59    57    58    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  113.81000
   42    46    53    70.00000  121.86000
   46    42    43    40.00000  114.85300
   46    53    55    75.00000  114.96100
   53    46    47    45.00000  120.55300
   53    55    56    45.00000  110.38000
   53    55    60    80.00000  110.73400
   53    55    61    80.00000  108.92000
   55    60    64    50.00000  131.81400
   55    60    70    80.00000  116.10000
   55    61    62    70.00000  117.00000
   55    61    63    70.00000  117.00000
   60    55    56    45.00000  110.47400
   60    64    65    35.00000  126.90000
   60    64    66    70.00000  103.80000
   60    70    67    70.00000  108.90000
   64    66    67    70.00000  111.90000
   64    66    68    75.00000  125.92000
   66    64    65    35.00000  128.20000
   66    67    70    70.00000  105.30000
   66    68    69    35.00000  113.00000
   70    60    64    70.00000  110.60000
   68    66    67    90.00000  117.04000
   61    55    56    35.00000  109.50000
   61    55    60    70.00000  110.34000
   63    61    62    80.00000  126.00000
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    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    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    57   0.42700  1.0 1.0
   29    33    54    57  -0.70350 -1.0 2.0
   29    33    54    57  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   7.00000 -1.0 2.0
   33    54    57    59   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    57   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    57  -0.28300  1.0 1.0
   38    33    54    57   0.26700 -1.0 2.0
   38    33    54    57  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09650  1.0 1.0
   38    42    46    53   0.48950 -1.0 2.0
   38    42    46    53   0.49400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    57  -0.54700  1.0 1.0
   44    48    54    57   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    57    58   7.00000 -1.0 2.0
   48    54    57    59   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    57   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   6.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   1.00600 -1.0 2.0
   46    53    55    56  -0.15000  1.0 3.0
   46    53    55    60  -0.12500  1.0 1.0
   46    53    55    60  -0.12500 -1.0 2.0
   46    53    55    60   0.25000  1.0 3.0
   46    53    55    61  -0.12500  1.0 1.0
   46    53    55    61  -0.12500 -1.0 2.0
   46    53    55    61   0.25000  1.0 3.0
   47    46    53    55  -0.02700  1.0 1.0
   47    46    53    55   5.27600 -1.0 2.0
   53    55    60    64   0.04300 -1.0 2.0
   53    55    60    70   0.04300 -1.0 2.0
   53    55    61    62   0.30150 -1.0 2.0
   53    55    61    63   0.30150 -1.0 2.0
   55    60    64    65   3.62500 -1.0 2.0
   55    60    64    66   3.62500 -1.0 2.0
   55    60    70    67   3.62500 -1.0 2.0
   56    55    60    64   0.00000  1.0 1.0
   56    55    60    70   0.00000  1.0 1.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.00000  1.0 1.0
   60    55    61    62   0.30150 -1.0 2.0
   60    55    61    63   0.30150 -1.0 2.0
   60    64   -66    67   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   64    60   -70    67   3.62500 -1.0 2.0
   64    66   -67    70   3.62500 -1.0 2.0
   64    66    68    69   0.84100 -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    67   -70    60   3.62500 -1.0 2.0
   67    66    68    69   0.49400 -1.0 2.0
   70    60    64    65   3.62500 -1.0 2.0
   70    60   -64    66   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   61    55    60    64   0.04300 -1.0 2.0
   61    55    60    70   0.04300 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    57   1.10000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   64    70    60    55   4.00000 -1.0 2.0
   66    65    64    60   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   62    55    61    63  10.50000 -1.0 2.0
END
