* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    118    170     338
    1     0 S   NP   _N1_     1    28.60476    94.35962   -23.74290
    2     1 S   H    _HN1     2     1.02959    85.76827    20.79422
    3     1 S   H    _H1_     3     1.02834    24.09957   173.08869
    4     1 S   H    _H2_     4     1.02779   105.24302   -87.06631
    5     1 S   CT   _CA1     5     1.50121   130.68885   134.17437
    6     5 S   HC   _HA1     6     1.09577   105.21722    75.03825
    7     5 S   CO3  _C1_     7     1.53773   112.41426   -45.14085
    8     7 S   O2Z  _O11     8     1.26357   114.99934   -43.46047
    9     7 S   O2Z  _O12     9     1.26240   114.91589   135.69823
   10     5 S   CT   _CB1    10     1.53091   107.42283  -167.07639
   11    10 S   HC   HB11    11     1.09826   109.27636   -50.97340
   12    10 S   HC   HB12    12     1.09817   110.43779    65.56118
   13    10 S   CT   _CG1    13     1.53013   112.69712  -172.08220
   14    13 S   HC   HG11    14     1.09595   110.46433   -64.86119
   15    13 S   HC   HG12    15     1.09658   109.94804    54.36195
   16    13 S   C    _CD1    16     1.51825   112.32381   174.67388
   17    16 S   O    _OE1    17     1.22719   123.25354    -0.68870
   18    16 S   N    _N2_    18     1.38634   111.64433   179.63738
   19    18 S   H    _HN2    19     1.01572   118.99545     1.37643
   20    18 S   CT1  _CA2    20     1.46221   123.43503   179.11089
   21    20 S   HC   _HA2    21     1.09738   109.45095    -1.83909
   22    20 S   C    _C2_    22     1.53526   108.25310  -117.38189
   23    22 S   O    _O2_    23     1.23025   122.23980  -143.83076
   24    20 S   CT   _CB2    32     1.53522   111.63958   120.20887
   25    24 S   HC   HB21    33     1.09500   109.52774    55.90234
   26    24 S   HC   HB22    34     1.09363   109.62859   174.80544
   27    22 S   N    _N3_    24     1.38508   113.46988    43.34448
   28    27 S   H    _HN3    25     1.01498   118.97720    -0.52451
   29    24 S   S    _SG2    35     1.82936   111.34510   -64.62825
   30    27 S   CT   _CA3    26     1.45465   123.56801   175.31324
   31    30 S   HC   HA31    27     1.09516   109.43255    20.84161
   32    30 S   HC   HA32    28     1.09507   107.07839   137.86685
   33    29 S   CT   _C11    36     1.86984   102.11824  -172.30364
   34    30 S   CO3  _C3_    29     1.52916   112.94392  -102.77277
   35    34 S   O2Z  _O31    30     1.26418   115.32759   -46.45107
   36    34 S   O2Z  _O32    31     1.26345   115.03295   134.43595
   37    33 S   CM   _C4_    37     1.49869   107.95870    72.08872
   38    37 S   HC   _H17    38     1.09078   116.02353   -73.99140
   39    33 S   CT   _C16    53     1.55157   111.67726   -51.10491
   40    39 S   HC   _H31    54     1.09477   110.09772   -49.76234
   41    39 S   HC   _H32    55     1.09778   110.29179    66.34829
   42    37 S   CMA  _C7_    39     1.34645   126.54953   108.82996
   43    42 S   OM   _O14    40     1.26150   127.62648   176.74376
   44    39 S   CM   _C9_    56     1.51240   113.77640  -174.88898
   45    44 S   HC   _H18    57     1.09009   113.99204   -67.86629
   46    42 S   CM   _C5_    41     1.48768   118.71145    -2.39670
   47    44 S   CM   _C10    58     1.34683   128.35374   112.92695
   48    46 S   CM   _C6_    42     1.35481   121.81339     7.86028
   49    46 S   CT   _C12    49     1.52559   118.01917  -171.14954
   50    49 S   HC   _H19    50     1.09554   110.59388   -74.38412
   51    49 S   HC   _H20    51     1.09294   113.44396   164.43180
   52    49 S   HC   _H21    52     1.09665   111.21011    46.95029
   53    47 S   CT   _C14    59     1.50627   120.24857   179.65508
   54    53 S   HC   _H25    60     1.09500   110.23401   119.80554
   55    53 S   HC   _H26    61     1.09497   110.23424  -120.38418
   56    53 S   HC   _H27    62     1.09511   112.46372    -0.27625
   57    47 S   CT   _C15    63     1.50250   125.59320    -0.84580
   58    57 S   HC   _H28    64     1.09512   110.02210   119.85801
   59    57 S   HC   _H29    65     1.09528   109.98745  -120.94333
   60    57 S   HC   _H30    66     1.09128   113.83365    -0.68927
   61    33 S   CO4  _C8_    43     1.53501   104.20164  -168.70147
   62    61 S   O    _O15    44     1.23504   120.73151    69.66296
   63    48 S   CT   _C13    45     1.50708   125.55070   174.96865
   64    63 S   HC   _H22    46     1.09447   110.19572    98.91984
   65    63 S   HC   _H23    47     1.09298   113.07439   -23.11593
   66    63 S   HC   _H24    48     1.09572   111.16828  -140.95172
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  15   2   1   1  12   5  11   5   4   9   3  11   3  11   8  10
   5   2   1   1   7   3   2   1   3   2   1   1   5   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    61    62    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    61    62    63    39    40    41    44    45    47  
   35    36  
   36  
    0  
   38    42    43    46    48    61    62    49    39    40    41    44  
   42    43    46    61    39  
   40    41    44    45    47    53    57    42    48    61    62  
   41    44    45    47    61  
   44    45    47    61  
   43    46    48    61    63    49    50    51    52  
   46    48    49  
   45    47    53    54    55    56    57    58    59    60    61  
   47    53    57  
   48    61    62    63    64    65    66    49    50    51    52  
   53    54    55    56    57    58    59    60  
   61    62    63    64    65    66    49    50    51    52  
   50    51    52    61    63  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    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   0.167500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    61   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    48   549.000  1.340
   46    49   317.000  1.510
   48    61   320.000  1.462
   48    63   317.000  1.510
   61    62   570.000  1.229
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    53   317.000  1.510
   47    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    61    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    61    48    65.00000  118.62400
   33    61    62    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.02700
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    48    70.00000  117.34000
   42    46    49    70.00000  124.00000
   46    42    43    65.00000  137.10300
   46    48    61    65.00000  118.96000
   46    48    63    70.00000  124.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   48    61    62    80.00000  123.72100
   48    63    64    35.00000  109.50000
   48    63    65    35.00000  109.50000
   48    63    66    35.00000  109.50000
   61    33    37    70.00000  109.06800
   63    48    61    65.00000  116.34900
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   49    46    48    70.00000  124.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    61    63.00000  111.10000
   39    44    45    35.00000  117.00000
   39    44    47    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    53    70.00000  124.00000
   44    47    57    70.00000  124.00000
   47    44    45    35.00000  120.00000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   47    57    58    35.00000  109.50000
   47    57    59    35.00000  109.50000
   47    57    60    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    47    53    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    61    48   0.65300  1.0 1.0
   29    33    61    48  -0.03850 -1.0 2.0
   29    33    61    48   0.33900  1.0 3.0
   29    33    61    62   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    47   0.09850  1.0 1.0
   33    39    44    47   0.15250 -1.0 2.0
   33    39    44    47  -0.50650  1.0 3.0
   37    33    61    48   0.65300  1.0 1.0
   37    33    61    48  -0.03850 -1.0 2.0
   37    33    61    48   0.33900  1.0 3.0
   37    33    61    62   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.31000  1.0 1.0
   37    33    39    44   0.14700 -1.0 2.0
   37    33    39    44   0.07550  1.0 3.0
   37    42   -46    48   7.00000 -1.0 2.0
   37    42    46    49   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    48    61   7.00000 -1.0 2.0
   42    46    48    63   7.00000 -1.0 2.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    51   0.00000  1.0 1.0
   42    46    49    52   0.00000  1.0 1.0
   43    42    46    48   7.00000 -1.0 2.0
   43    42    46    49   7.00000 -1.0 2.0
   46    48   -61    33  -0.33500  1.0 1.0
   46    48   -61    33   1.06600 -1.0 2.0
   46    48   -61    33  -0.14000  1.0 3.0
   46    48    61    62   1.00000 -1.0 2.0
   46    48    63    64   0.00000  1.0 1.0
   46    48    63    65   0.00000  1.0 1.0
   46    48    63    66   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   48    46    49    52   0.00000  1.0 1.0
   61    33    37    38   0.00000  1.0 1.0
   61    33   -37    42  -0.51250  1.0 1.0
   61    33   -37    42  -0.88800 -1.0 2.0
   61    33   -37    42   0.08850  1.0 3.0
   61    33    39    40  -0.11250  1.0 3.0
   61    33    39    41  -0.11250  1.0 3.0
   61    33    39    44  -0.98800  1.0 1.0
   61    33    39    44   0.48800 -1.0 2.0
   61    33    39    44   0.76800  1.0 3.0
   61    48    63    64   0.15000  1.0 3.0
   61    48    63    65   0.15000  1.0 3.0
   61    48    63    66   0.15000  1.0 3.0
   63    48    61    33   0.25700  1.0 1.0
   63    48    61    33   0.66200 -1.0 2.0
   63    48    61    33   0.04450  1.0 3.0
   63    48    61    62  -0.64400  1.0 1.0
   63    48    61    62   0.26850 -1.0 2.0
   49    46    48    61   7.00000 -1.0 2.0
   49    46    48    63   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    61    48   0.65300  1.0 1.0
   39    33    61    48  -0.03850 -1.0 2.0
   39    33    61    48   0.33900  1.0 3.0
   39    33    61    62   0.30150 -1.0 2.0
   39    44    47    53   7.00000 -1.0 2.0
   39    44    47    57   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    55   0.00000  1.0 1.0
   44    47    53    56   0.00000  1.0 1.0
   44    47    57    58   0.00000  1.0 1.0
   44    47    57    59   0.00000  1.0 1.0
   44    47    57    60   0.00000  1.0 1.0
   45    44    47    53   7.00000 -1.0 2.0
   45    44    47    57   7.00000 -1.0 2.0
   53    47    57    58   0.34800  1.0 3.0
   53    47    57    59   0.34800  1.0 3.0
   53    47    57    60   0.34800  1.0 3.0
   57    47    53    54   0.34800  1.0 3.0
   57    47    53    55   0.34800  1.0 3.0
   57    47    53    56   0.34800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    49    46    48   1.10000 -1.0 2.0
   61    63    48    46   1.10000 -1.0 2.0
   33    48    61    62  10.50000 -1.0 2.0
   39    45    44    47  15.00000 -1.0 2.0
   53    57    47    44  15.00000 -1.0 2.0
END
