* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    116    190     343
    1     0 S   NP   _N1_     1    28.10168    95.97737   -23.54090
    2     1 S   H    _HN1     2     1.02955    84.01830   -23.59872
    3     1 S   H    _H1_     3     1.02838    25.06575   133.77209
    4     1 S   H    _H2_     4     1.02779   107.30124  -130.94198
    5     1 S   CT   _CA1     5     1.50191   129.91858    88.11435
    6     5 S   HC   _HA1     6     1.09573   105.18127    78.40264
    7     5 S   CO3  _C1_     7     1.53777   111.99942   -41.73867
    8     7 S   O2Z  _O11     8     1.26377   115.00660   -49.57192
    9     7 S   O2Z  _O12     9     1.26192   114.91066   128.97159
   10     5 S   CT   _CB1    10     1.53048   107.34681  -163.76793
   11    10 S   HC   HB11    11     1.09844   109.39226   -49.10539
   12    10 S   HC   HB12    12     1.09810   110.44521    67.40927
   13    10 S   CT   _CG1    13     1.53100   112.74588  -170.01731
   14    13 S   HC   HG11    14     1.09574   110.70048   -64.80813
   15    13 S   HC   HG12    15     1.09649   109.80966    54.49375
   16    13 S   C    _CD1    16     1.51874   111.77759   174.98882
   17    16 S   O    _OE1    17     1.22830   123.07094    10.27594
   18    16 S   N    _N2_    18     1.38544   112.19575  -170.03899
   19    18 S   H    _HN2    19     1.01634   119.39923     2.53049
   20    18 S   CT1  _CA2    20     1.45841   122.40396   178.21293
   21    20 S   HC   _HA2    21     1.09744   108.62340    30.81565
   22    20 S   C    _C2_    22     1.53009   107.12426   -86.29108
   23    22 S   O    _O2_    23     1.22981   123.10379   -27.36644
   24    20 S   CT   _CB2    32     1.53281   112.70560   153.94336
   25    24 S   HC   HB21    33     1.09516   109.65030    57.03377
   26    24 S   HC   HB22    34     1.09390   109.48511   175.80129
   27    22 S   N    _N3_    24     1.38519   112.61256   155.24775
   28    27 S   H    _HN3    25     1.01664   120.40293    -1.95204
   29    24 S   S    _SG2    35     1.82595   111.07989   -63.46223
   30    27 S   CT   _CA3    26     1.45353   122.35419   178.57152
   31    30 S   HC   HA31    27     1.09569   107.66236   -58.77647
   32    30 S   HC   HA32    28     1.09568   107.73131    57.52773
   33    29 S   CT   _C9_    36     1.86297   102.13954  -171.62192
   34    30 S   CO3  _C3_    29     1.52856   114.40648   179.39348
   35    34 S   O2Z  _O31    30     1.26312   116.07043    -0.72253
   36    34 S   O2Z  _O32    31     1.26442   114.39868   179.30283
   37    33 S   C5A  _C6_    37     1.51264   109.72679    70.57101
   38    33 S   CT   _C10    57     1.55008   113.17090  -164.03152
   39    38 S   HC   _H3_    58     1.10353   106.52570   178.19409
   40    37 S   C5BC _C5_    38     1.38425   129.29789  -111.89666
   41    38 S   CO3  _C17    59     1.54595   122.80601   -61.69741
   42    41 S   O2Z  _O40    60     1.26117   116.68479    17.92625
   43    41 S   O2Z  _O39    61     1.26624   114.64474  -161.10871
   44    40 S   C5BC _C4_    39     1.41538   108.28307  -179.74666
   45    44 S   HA   _H4_    40     1.08202   126.98520   179.87646
   46    40 S   CO4  _C15    47     1.43684   121.44987     0.86071
   47    46 S   O    _O35    48     1.22179   124.74185  -178.77715
   48    44 S   C5A  _C7_    41     1.37800   106.95957    -0.80770
   49    46 S   CO4  _C14    49     1.50676   115.85737     1.55834
   50    49 S   O    _O36    50     1.22070   118.68891   167.29494
   51    37 S   NA   _N4_    42     1.37642   124.00473    66.91138
   52    51 S   H    _H5_    43     1.01308   125.04135    -0.00000
   53    48 S   CO3  _C8_    44     1.48126   126.93526  -179.67494
   54    53 S   O2Z  _O34    45     1.26828   116.27900   178.42778
   55    53 S   O2Z  _O33    46     1.26846   116.92080    -1.60096
   56    33 S   CD   _C13    51     1.53920   108.30405   -49.39871
   57    56 S   NI   _N5_    52     1.29626   125.33586   -78.79757
   58    57 S   CM   _C12    53     1.37176   117.48210    -0.10468
   59    58 S   CT   _C11    54     1.50585   121.35758   -28.08201
   60    59 S   HC   _H6_    55     1.09822   108.63136   131.80144
   61    59 S   HC   _H7_    56     1.09773   108.80598  -112.67786
   62    58 S   CMA  _C16    62     1.53070   118.76256   152.54588
   63    62 S   OM   _O38    63     1.26381   121.01117   141.85749
   64    62 S   OM   _O37    64     1.26433   120.82303   -38.40245
  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
  20   2   1   1  16  14   8  11   7   2   1  10   4   7   3   5
   4   2   5   1   2   1   1   4   7   6   5   2   1   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    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    49    56    57    59    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    48    51    52    46    49    50    56    57    58    59    60    61    38    39    41    42    43  
   35    36  
   36  
    0  
   40    44    45    48    51    52    53    46    47    49    56    57    59    38    39    41  
   39    41    42    43    62    40    49    51    56    57    58    59    60    61  
   41    42    43    56    58    59    60    61  
   44    45    48    51    52    53    46    47    49    50    56  
   42    43    56    58    59    60    61  
   43    59  
   59  
   45    48    51    52    53    54    55    46    47    49  
   48    51    53    46  
   47    49    50    56    57    48    51  
   49    50    56  
   51    52    53    54    55  
   50    56    57    58  
   56    57  
   52    53    54    55    56  
   53  
   54    55  
   55  
    0  
   57    58    59    62  
   58    59    60    61    62    63    64  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62  
   62  
   63    64  
   64  
    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   0.358600   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  -0.163000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   52   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   57   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   64   3.1500   0.2500  -0.773900   1.7000   1.5000   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   295.000  1.489
   33    56   270.000  1.508
   33    38   268.000  1.529
   37    40   546.000  1.367
   37    51   427.000  1.381
   40    44   469.000  1.424
   40    46   320.000  1.468
   44    45   367.000  1.080
   44    48   546.000  1.367
   48    51   427.000  1.381
   48    53   325.000  1.466
   51    52   434.000  1.010
   53    54   656.000  1.250
   53    55   656.000  1.250
   46    47   570.000  1.229
   46    49   250.000  1.523
   49    50   570.000  1.229
   49    56   275.000  1.494
   56    57   500.000  1.261
   57    58   405.000  1.380
   58    59   317.000  1.510
   58    62   465.000  1.376
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    38   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   656.000  1.250
   41    43   656.000  1.250
   62    63   745.000  1.250
   62    64   745.000  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    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    56    75.00000  114.43000
   29    33    38    75.00000  111.63000
   33    37    40    50.00000  133.50000
   33    37    51    65.00000  122.56900
   33    56    49    60.00000  116.68000
   33    56    57    65.00000  122.10100
   33    38    59    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  109.69300
   37    40    44    70.00000  107.30000
   37    40    46    60.00000  121.69000
   37    51    48    70.00000  109.80000
   37    51    52    35.00000  120.00000
   40    44    45    35.00000  127.50000
   40    44    48    70.00000  107.30000
   40    46    47    80.00000  122.10000
   40    46    49    60.00000  117.28700
   44    48    51    70.00000  107.70000
   44    48    53    55.00000  130.80000
   48    44    45    35.00000  125.70000
   48    51    52    35.00000  120.00000
   48    53    54    80.00000  120.87000
   48    53    55    80.00000  120.87000
   51    37    40    70.00000  107.70000
   53    48    51    70.00000  119.02500
   55    53    54    80.00000  126.00000
   46    40    44    50.00000  131.05000
   46    49    50    80.00000  119.30300
   46    49    56    65.00000  116.00000
   49    46    47    80.00000  119.30300
   49    56    57    60.00000  126.98800
   56    33    37    70.00000  112.40000
   56    49    50    75.00000  122.07900
   56    57    58    75.00000  115.77100
   57    58    59    65.00000  119.96000
   57    58    62    70.00000  120.83400
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    38    70.00000  112.02700
   58    62    63    65.00000  137.10300
   58    62    64    65.00000  137.10300
   59    38    39    37.50000  110.70000
   59    38    41    70.00000  109.69300
   61    59    60    33.00000  107.80000
   38    33    37    70.00000  113.44400
   38    33    56    70.00000  111.76100
   38    59    60    37.50000  110.70000
   38    59    61    37.50000  110.70000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   41    38    39    35.00000  109.50000
   43    41    42    80.00000  126.00000
   62    58    59    70.00000  124.00000
   64    62    63    65.00000  121.00000
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    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    51   0.04300 -1.0 2.0
   29    33    56    49   0.00000  1.0 1.0
   29    33    56    57   0.00000  1.0 1.0
   29    33    38    59   0.44750  1.0 1.0
   29    33    38    59  -0.17800 -1.0 2.0
   29    33    38    59   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    40    46   3.62500 -1.0 2.0
   33    37    51    48   3.62500 -1.0 2.0
   33    37    51    52   2.00000 -1.0 2.0
   33    56    57    58   6.00000 -1.0 2.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   37    33    56    49   0.00000  1.0 1.0
   37    33    56    57   0.00000  1.0 1.0
   37    33    38    59  -0.03700  1.0 1.0
   37    33    38    59   0.37200 -1.0 2.0
   37    33    38    59  -0.47300  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    41  -2.95950  1.0 1.0
   37    33    38    41   0.02300  1.0 3.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40   -44    48   3.62500 -1.0 2.0
   37    40    46    47   1.05000 -1.0 2.0
   37    40   -46    49   0.56600 -1.0 2.0
   40    37   -51    48   3.62500 -1.0 2.0
   40    37    51    52   2.00000 -1.0 2.0
   40    44   -48    51   3.62500 -1.0 2.0
   40    44    48    53   3.62500 -1.0 2.0
   40    46    49    50   0.03000  1.0 1.0
   40    46    49    50   0.58800 -1.0 2.0
   40    46    49    50   0.15550  1.0 3.0
   40    46    49    56   0.43900  1.0 1.0
   40    46    49    56  -0.18150 -1.0 2.0
   40    46    49    56  -0.03650  1.0 3.0
   44    40    46    47   1.05000 -1.0 2.0
   44    40    46    49   0.56600 -1.0 2.0
   44    48   -51    37   3.62500 -1.0 2.0
   44    48    51    52   2.00000 -1.0 2.0
   44    48    53    54   1.05000 -1.0 2.0
   44    48    53    55   1.05000 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   51    37   -40    44   3.62500 -1.0 2.0
   51    37    40    46   3.62500 -1.0 2.0
   51    48    53    54   1.85000 -1.0 2.0
   51    48    53    55   1.85000 -1.0 2.0
   53    48    51    37   3.62500 -1.0 2.0
   53    48    51    52   2.00000 -1.0 2.0
   46    40    44    45   3.62500 -1.0 2.0
   46    40    44    48   3.62500 -1.0 2.0
   46    49   -56    33   1.50000 -1.0 2.0
   46    49    56    57   1.50000 -1.0 2.0
   47    46    49    50   0.06100 -1.0 2.0
   47    46    49    56   0.03000  1.0 1.0
   47    46    49    56   0.58800 -1.0 2.0
   47    46    49    56   0.15550  1.0 3.0
   49    56    57    58   6.00000 -1.0 2.0
   50    49    56    33   1.00000 -1.0 2.0
   50    49    56    57   1.00000 -1.0 2.0
   56    33   -37    40   0.18050 -1.0 2.0
   56    33    37    51   0.04300 -1.0 2.0
   56    33    38    59   0.34400  1.0 1.0
   56    33    38    59   0.09450 -1.0 2.0
   56    33    38    59   0.11100  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    41  -0.98800  1.0 1.0
   56    33    38    41   0.48800 -1.0 2.0
   56    33    38    41   0.76800  1.0 3.0
   56    57   -58    59   1.00000 -1.0 2.0
   56    57    58    62   1.00000 -1.0 2.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58    59    38   0.09700  1.0 1.0
   57    58    59    38   0.15600 -1.0 2.0
   57    58    59    38  -0.50800  1.0 3.0
   57    58    62    63   7.00000 -1.0 2.0
   57    58    62    64   7.00000 -1.0 2.0
   58    59   -38    33   0.34400  1.0 1.0
   58    59   -38    33   0.09450 -1.0 2.0
   58    59   -38    33   0.11100  1.0 3.0
   58    59    38    39   0.15000  1.0 3.0
   58    59    38    41  -0.98800  1.0 1.0
   58    59    38    41   0.48800 -1.0 2.0
   58    59    38    41   0.76800  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   59    38    41    42   0.41150 -1.0 2.0
   59    38    41    43   0.41150 -1.0 2.0
   60    59    38    33   0.15000  1.0 3.0
   60    59    38    39   0.15000  1.0 3.0
   60    59    38    41  -0.11250  1.0 3.0
   61    59    38    33   0.15000  1.0 3.0
   61    59    38    39   0.15000  1.0 3.0
   61    59    38    41  -0.11250  1.0 3.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33    37    51   0.39850  1.0 1.0
   38    33    37    51   0.06450 -1.0 2.0
   38    33    37    51   0.32400  1.0 3.0
   38    33    56    49   0.00000  1.0 1.0
   38    33   -56    57   0.00000  1.0 1.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   62    58    59    60   0.00000  1.0 1.0
   62    58    59    61   0.00000  1.0 1.0
   62    58    59    38   0.09850  1.0 1.0
   62    58    59    38   0.15250 -1.0 2.0
   62    58    59    38  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   40    51    37    33   4.00000 -1.0 2.0
   44    46    40    37   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   53    51    48    44   4.00000 -1.0 2.0
   52    37    51    48   1.00000 -1.0 2.0
   54    48    53    55  10.50000 -1.0 2.0
   40    49    46    47  10.50000 -1.0 2.0
   46    56    49    50  10.50000 -1.0 2.0
   33    49    56    57  10.50000 -1.0 2.0
   57    59    58    62   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
   63    64    62    58   1.10000 -1.0 2.0
END
