* LIGAND DATABASE FILE (OPLS2005)
*
001      68    67    118    171     343
    1     0 S   NP   _N1_     1    28.16734    94.15548   -23.03783
    2     1 S   H    _HN1     2     1.02958    88.84088    -3.77636
    3     1 S   H    _H1_     3     1.02832    24.56158   134.49777
    4     1 S   H    _H2_     4     1.02769    99.23794  -112.24256
    5     1 S   CT   _CA1     5     1.50189   134.08230   113.86345
    6     5 S   HC   _HA1     6     1.09560   105.17821    68.25001
    7     5 S   CO3  _C1_     7     1.53830   112.41868   -51.93834
    8     7 S   O2Z  _O11     8     1.26382   114.94616   -37.43230
    9     7 S   O2Z  _O12     9     1.26224   115.03066   141.54607
   10     5 S   CT   _CB1    10     1.53084   107.40032  -173.59348
   11    10 S   HC   HB11    11     1.09825   109.50031   -47.01304
   12    10 S   HC   HB12    12     1.09813   110.31721    69.59687
   13    10 S   CT   _CG1    13     1.53019   112.72333  -167.96442
   14    13 S   HC   HG11    14     1.09526   110.59400   -62.52394
   15    13 S   HC   HG12    15     1.09651   109.92237    56.60594
   16    13 S   C    _CD1    16     1.51857   112.23468   176.81851
   17    16 S   O    _OE1    17     1.22759   123.26251    -2.29115
   18    16 S   N    _N2_    18     1.38533   111.77679   177.82399
   19    18 S   H    _HN2    19     1.01572   119.05090     4.38740
   20    18 S   CT1  _CA2    20     1.45882   122.91295   178.26810
   21    20 S   HC   _HA2    21     1.09737   108.90150    22.72971
   22    20 S   C    _C2_    22     1.52919   107.15621   -94.25105
   23    22 S   O    _O2_    23     1.22970   123.09724   -25.08076
   24    20 S   CT   _CB2    32     1.53203   112.19079   145.70079
   25    24 S   HC   HB21    33     1.09595   110.19010    55.42751
   26    24 S   HC   HB22    34     1.09469   110.28317   174.54490
   27    22 S   N    _N3_    24     1.38502   112.52465   157.58146
   28    27 S   H    _HN3    25     1.01657   120.33616    -2.31748
   29    24 S   S    _SG2    35     1.82404   110.92204   -65.11872
   30    27 S   CT   _CA3    26     1.45356   122.52200   178.54896
   31    30 S   HC   HA31    27     1.09568   107.88787   -54.05463
   32    30 S   HC   HA32    28     1.09560   107.55224    62.30180
   33    29 S   CT   _C14    36     1.85404    99.43529   175.95668
   34    33 S   HC   _H4_    37     1.09784   107.32533   -38.01521
   35    30 S   CO3  _C3_    29     1.52895   114.28898  -176.00884
   36    35 S   O2Z  _O31    30     1.26338   116.04409    -0.13122
   37    35 S   O2Z  _O32    31     1.26432   114.41822   179.81025
   38    33 S   C    _C15    38     1.53128   106.25813    80.39682
   39    38 S   O    _O34    39     1.22957   123.66768    64.60856
   40    33 S   CT   _C13    43     1.55380   110.02657  -158.60497
   41    40 S   OM   _O35    44     1.32417   109.51481   174.44021
   42    40 S   HC   _H3_    45     1.09972   107.22356   -53.41419
   43    38 S   N    _N4_    40     1.37714   113.64074  -114.40666
   44    43 S   H    _H18    41     1.01388   122.65457    -2.17322
   45    43 S   H    _H19    42     1.01364   120.21766   179.71954
   46    40 S   CO4  _C12    46     1.54523   110.06000    62.32141
   47    46 S   O    _O33    47     1.23375   122.53902    41.36493
   48    46 S   CT   _C11    48     1.52490   115.90272  -138.69234
   49    48 S   HC   _H16    49     1.09653   107.55354    52.30392
   50    48 S   HC   _H17    50     1.09574   108.30211   -64.78902
   51    48 S   CT   _C10    51     1.52757   112.22629   173.01430
   52    51 S   HC   _H14    52     1.09439   109.76344   -49.42606
   53    51 S   HC   _H15    53     1.09702   109.82864    66.50345
   54    51 S   CM   _C9_    54     1.50147   111.03500  -173.35961
   55    54 S   HC   _H13    55     1.08862   115.60046   -69.89811
   56    54 S   CM   _C8_    56     1.34280   126.89339   109.00678
   57    56 S   HC   _H12    57     1.08882   117.39769  -178.70170
   58    56 S   CT   _C7_    58     1.50143   127.01605     0.89241
   59    58 S   HC   _H10    59     1.09491   111.55440    27.23784
   60    58 S   HC   _H11    60     1.09683   108.42728   142.62564
   61    58 S   CM   _C6_    61     1.50079   111.57251   -97.70260
   62    61 S   HC   _H9_    62     1.08732   116.90692   -68.47242
   63    61 S   CM   _C5_    63     1.34141   123.53793   112.16515
   64    63 S   HC   _H8_    64     1.08674   119.48249    -0.81060
   65    63 S   CT   _C4_    65     1.49213   124.04366   179.59749
   66    65 S   HC   _H5_    66     1.09400   109.92426  -120.24168
   67    65 S   HC   _H6_    67     1.09450   112.25560     0.17017
   68    65 S   HC   _H7_    68     1.09414   109.92233   120.59412
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1   8   4   9   4   3   2   1   1   8   4   8
   5   4   7   4   3   7   3   7   4   7   4   3   7   3   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    40    41    42    46    47    48  
   38    39    43    40    41    42    46  
   36    37  
   37  
    0  
   39    43    44    45    40    41    42    46  
   43    44    45    40  
   41    42    46    47    48    49    50    51    43  
   42    46    47    48  
   46    47    48  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    54  
   48    49    50    51  
   49    50    51    52    53    54    55    56  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58  
   53    54    55    56  
   54    55    56  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61    62    63    64    65  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   44   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   45   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   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    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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    45   434.000  1.010
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   340.000  1.080
   56    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    46    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    45    35.00000  119.80000
   43    38    39    80.00000  122.90000
   45    43    44    35.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    46    47    80.00000  120.40000
   40    46    48    70.00000  116.00000
   42    40    41    45.00000  125.66300
   46    40    41    90.00000  108.74100
   46    40    42    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    63.00000  111.10000
   48    46    47    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    70.00000  112.02700
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    35.00000  117.00000
   51    54    56    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    58    70.00000  124.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    70.00000  110.12100
   58    56    57    35.00000  117.00000
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   65    63    64    35.00000  117.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    45   2.45000 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    48   0.60050  1.0 1.0
   33    40    46    48   0.05600 -1.0 2.0
   33    40    46    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46  -0.11250  1.0 3.0
   38    33    40    41  -0.09450  1.0 1.0
   38    33    40    41  -1.12950 -1.0 2.0
   38    33    40    41   0.54000  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    46   0.11950  1.0 1.0
   38    33    40    46   0.20300 -1.0 2.0
   38    33    40    46  -0.70800  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    45   2.45000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    46    48    49   0.00000  1.0 1.0
   40    46    48    50   0.00000  1.0 1.0
   40    46    48    51   0.60050  1.0 1.0
   40    46    48    51   0.05600 -1.0 2.0
   40    46    48    51   0.26150  1.0 3.0
   41    40    46    47   0.30150 -1.0 2.0
   41    40    46    48   0.55300  1.0 1.0
   41    40    46    48   1.25850 -1.0 2.0
   41    40    46    48  -0.23600  1.0 3.0
   42    40    46    47   0.00000  1.0 1.0
   42    40    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 3.0
   46    48    51    53  -0.11250  1.0 3.0
   46    48    51    54  -0.98800  1.0 1.0
   46    48    51    54   0.48800 -1.0 2.0
   46    48    51    54   0.76800  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    54    55   0.00000  1.0 1.0
   48    51    54    56   0.09850  1.0 1.0
   48    51    54    56   0.15250 -1.0 2.0
   48    51    54    56  -0.50650  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    56    57   7.00000 -1.0 2.0
   51    54    56    58   7.00000 -1.0 2.0
   52    51    54    55   0.33100  1.0 3.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.33100  1.0 3.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    58    59   0.00000  1.0 1.0
   54    56    58    60   0.00000  1.0 1.0
   54    56    58    61  -0.28300  1.0 1.0
   54    56    58    61   0.26700 -1.0 2.0
   54    56    58    61  -0.63300  1.0 3.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    58   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63  -0.28300  1.0 1.0
   56    58    61    63   0.26700 -1.0 2.0
   56    58    61    63  -0.63300  1.0 3.0
   57    56    58    59   0.33100  1.0 3.0
   57    56    58    60   0.33100  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61    63    65   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.33100  1.0 3.0
   64    63    65    68   0.33100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   45    38    43    44   1.00000 -1.0 2.0
   40    48    46    47  10.50000 -1.0 2.0
   51    55    54    56  15.00000 -1.0 2.0
   58    57    56    54  15.00000 -1.0 2.0
   58    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
END
