* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    116    173     339
    1     0 S   NP   _N1_     1    27.99763    96.88654   -23.07575
    2     1 S   H    _HN1     2     1.02836    36.13075   158.14643
    3     1 S   H    _H1_     3     1.02778   106.21661  -103.56756
    4     1 S   H    _H2_     4     1.02960    73.66646     1.27457
    5     1 S   CT   _CA1     5     1.50128   136.87941   103.88869
    6     5 S   HC   _HA1     6     1.09576   105.21910    89.96802
    7     5 S   CO3  _C1_     7     1.53789   112.36064   -30.22631
    8     7 S   O2Z  _O11     8     1.26366   114.99750   -44.11055
    9     7 S   O2Z  _O12     9     1.26237   114.93251   134.99622
   10     5 S   CT   _CB1    10     1.53098   107.42390  -152.12477
   11    10 S   HC   HB11    11     1.09827   109.33533   -50.57074
   12    10 S   HC   HB12    12     1.09817   110.42878    65.98626
   13    10 S   CT   _CG1    13     1.53015   112.66299  -171.64454
   14    13 S   HC   HG11    14     1.09595   110.48731   -64.28693
   15    13 S   HC   HG12    15     1.09657   109.92078    54.91181
   16    13 S   C    _CD1    16     1.51840   112.32209   175.28196
   17    16 S   O    _OE1    17     1.22748   123.28804     0.18557
   18    16 S   N    _N2_    18     1.38564   111.69562  -179.87489
   19    18 S   H    _HN2    19     1.01563   118.99146     4.76214
   20    18 S   CT1  _CA2    20     1.45821   122.90929   177.70271
   21    20 S   HC   _HA2    21     1.09746   108.99786    21.86285
   22    20 S   C    _C2_    22     1.52875   107.07807   -95.03669
   23    22 S   O    _O2_    23     1.22979   123.01606   -26.41692
   24    20 S   CT   _CB2    32     1.53109   112.21518   144.98712
   25    24 S   HC   HB21    33     1.09638   110.68600    53.21931
   26    24 S   HC   HB22    34     1.09439   109.82574   171.58417
   27    22 S   N    _N3_    24     1.38525   112.58308   156.25416
   28    27 S   H    _HN3    25     1.01706   120.36762    -1.54510
   29    24 S   S    _SG2    35     1.82292   110.87368   -67.50478
   30    27 S   CT   _CA3    26     1.45354   122.37904   178.70427
   31    30 S   HC   HA31    27     1.09570   107.69040   -57.86914
   32    30 S   HC   HA32    28     1.09566   107.68949    58.41533
   33    29 S   CM   _C13    36     1.74381   100.13263  -172.98916
   34    30 S   CO3  _C3_    29     1.52869   114.44247  -179.73756
   35    34 S   O2Z  _O31    30     1.26315   116.10186    -0.96388
   36    34 S   O2Z  _O32    31     1.26449   114.38705   179.03025
   37    33 S   CM   _C14    37     1.34360   118.29701  -105.35637
   38    37 S   HC   _H15    38     1.08569   122.28393    -0.57743
   39    37 S   HC   _H16    39     1.08538   121.14076  -179.98022
   40    33 S   CT   _C12    40     1.52594   120.59110    73.89966
   41    40 S   HC   _H13    41     1.09773   107.62957  -174.74581
   42    40 S   HC   _H14    42     1.09733   107.37724   -62.76880
   43    40 S   CT   _C7_    43     1.57184   118.42783    62.39296
   44    43 S   C    _C8_    44     1.53941   110.22471    49.42150
   45    44 S   O    _O35    45     1.23126   120.51305    24.09167
   46    43 S   CT   _C5_    56     1.58768   111.36422   169.50525
   47    46 S   HC   _H6_    57     1.09939   107.99966   170.32679
   48    44 S   NM   _N4_    46     1.33037   116.38999  -163.24690
   49    46 S   CT   _C4_    58     1.53925   113.93359   -71.77800
   50    49 S   HC   _H3_    59     1.09377   111.99561    61.23776
   51    49 S   HC   _H4_    60     1.09367   111.87772   -60.68937
   52    49 S   HC   _H5_    61     1.09614   110.41445  -179.14866
   53    46 S   CT   _C6_    62     1.53810   114.13335    52.57818
   54    53 S   HC   _H7_    63     1.09432   111.87750   -64.70932
   55    53 S   HC   _H8_    64     1.09622   110.29004   176.06150
   56    53 S   HC   _H9_    65     1.09265   112.02093    57.47980
   57    48 S   C    _C9_    47     1.33257   121.56095    34.40674
   58    57 S   O    _O33    48     1.23449   121.32382   175.20919
   59    57 S   N    _N5_    49     1.40922   118.58252    -5.50025
   60    43 S   C    _C10    50     1.52571   108.56785   -72.79187
   61    60 S   O    _O34    51     1.23195   122.35369   -38.73440
   62    59 S   CT   _C11    52     1.45860   117.55069   171.29586
   63    62 S   HC   _H10    53     1.09404   110.60479   -34.76250
   64    62 S   HC   _H11    54     1.09379   111.13346  -155.99013
   65    62 S   HC   _H12    55     1.09452   108.10894    84.42871
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  10   2   1   1   6   2   1  13   5   4  18  11   4  13   9   5
   8   3   2   1   4   2   1   1   8   3   6   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    60    46  
   35    36  
   36  
    0  
   38    39    40    41    42    43  
   39    40  
   40  
   41    42    43    44    45    48    59    60    61    46    47    49    53  
   42    43    44    60    46  
   43    44    60    46  
   44    45    48    57    59    60    61    62    46    47    49    50    51    52    53    54    55    56  
   45    48    57    58    59    60    61    46    47    49    53  
   48    57    60    46  
   47    49    50    51    52    53    54    55    56    48    59    60    61  
   49    50    51    52    53    54    55    56    60  
   57    58    59    60    62  
   50    51    52    53    54    55    56    60  
   51    52    53  
   52    53  
   53  
   54    55    56    60  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65  
   59    60    62  
   60    61    62    63    64    65  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.750000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.4200   0.1700  -0.745000   1.9310   1.7100   0.005000000   0.000000000
   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   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.758000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.294700   1.8100   1.6000   0.054801302  -1.445846770
   60   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660  -0.130300   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   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   240.000  1.763
   33    37   549.000  1.340
   33    40   317.000  1.510
   37    38   340.000  1.080
   37    39   340.000  1.080
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   317.000  1.522
   43    60   317.000  1.522
   43    46   268.000  1.529
   44    45   570.000  1.229
   44    48   495.000  1.346
   48    57   495.000  1.346
   57    58   570.000  1.229
   57    59   490.000  1.335
   59    60   490.000  1.335
   59    62   337.000  1.449
   60    61   570.000  1.229
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    40    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    35.00000  120.00000
   33    40    41    35.00000  109.50000
   33    40    42    35.00000  109.50000
   33    40    43    70.00000  112.02700
   39    37    38    35.00000  117.00000
   40    33    37    70.00000  124.00000
   40    43    44    63.00000  111.10000
   40    43    60    63.00000  111.10000
   40    43    46    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    44    45    80.00000  120.40000
   43    44    48    80.00000  112.12000
   43    60    59    70.00000  116.60000
   43    60    61    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    49    58.35000  112.70000
   43    46    53    58.35000  112.70000
   44    48    57    75.00000  117.16000
   48    44    45    85.00000  128.94100
   48    57    58    85.00000  128.94100
   48    57    59    80.00000  119.15700
   57    59    60    70.00000  121.37400
   57    59    62    50.00000  121.90000
   59    57    58    80.00000  122.90000
   59    60    61    80.00000  122.90000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   60    43    44    75.00000  103.47400
   62    59    60    50.00000  121.90000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   46    43    44    63.00000  111.10000
   46    43    60    63.00000  111.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   49    46    47    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    40   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    42   0.00000  1.0 1.0
   29    33    40    43   0.09700  1.0 1.0
   29    33    40    43   0.15600 -1.0 2.0
   29    33    40    43  -0.50800  1.0 3.0
   33    40    43    44  -0.98800  1.0 1.0
   33    40    43    44   0.48800 -1.0 2.0
   33    40    43    44   0.76800  1.0 3.0
   33    40    43    60  -0.98800  1.0 1.0
   33    40    43    60   0.48800 -1.0 2.0
   33    40    43    60   0.76800  1.0 3.0
   33    40    43    46   0.34400  1.0 1.0
   33    40    43    46   0.09450 -1.0 2.0
   33    40    43    46   0.11100  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    42   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   40    33    37    38   7.00000 -1.0 2.0
   40    33    37    39   7.00000 -1.0 2.0
   40    43    44    45   0.30150 -1.0 2.0
   40    43    44    48   0.00000  1.0 1.0
   40    43    60    59   1.39750  1.0 1.0
   40    43    60    59  -0.07950 -1.0 2.0
   40    43    60    59  -0.18750  1.0 3.0
   40    43    60    61   0.30150 -1.0 2.0
   40    43    46    47   0.15000  1.0 3.0
   40    43    46    49   0.56750  1.0 1.0
   40    43    46    49  -0.07550 -1.0 2.0
   40    43    46    49   0.20000  1.0 3.0
   40    43    46    53   0.56750  1.0 1.0
   40    43    46    53  -0.07550 -1.0 2.0
   40    43    46    53   0.20000  1.0 3.0
   41    40    43    44  -0.11250  1.0 3.0
   41    40    43    60  -0.11250  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   42    40    43    44  -0.11250  1.0 3.0
   42    40    43    60  -0.11250  1.0 3.0
   42    40    43    46   0.15000  1.0 3.0
   43    44    48    57   2.45000 -1.0 2.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    52   0.15000  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    53    56   0.15000  1.0 3.0
   44    43    60    59   0.00000  1.0 1.0
   44    43    60    61   0.30150 -1.0 2.0
   44    43    46    47  -0.11250  1.0 3.0
   44    43    46    49  -0.95700  1.0 1.0
   44    43    46    49  -0.18200 -1.0 2.0
   44    43    46    49   0.29450  1.0 3.0
   44    43    46    53  -0.95700  1.0 1.0
   44    43    46    53  -0.18200 -1.0 2.0
   44    43    46    53   0.29450  1.0 3.0
   44    48    57    58   2.45000 -1.0 2.0
   44    48   -57    59   2.45000 -1.0 2.0
   45    44    48    57   2.45000 -1.0 2.0
   48    57    59    60   2.45000 -1.0 2.0
   48    57    59    62   2.45000 -1.0 2.0
   57    59   -60    43   2.45000 -1.0 2.0
   57    59    60    61   2.22250 -1.0 2.0
   57    59    62    63   0.00000  1.0 1.0
   57    59    62    64   0.00000  1.0 1.0
   57    59    62    65   0.00000  1.0 1.0
   58    57    59    60   2.22250 -1.0 2.0
   58    57    59    62   3.04450 -1.0 2.0
   60    43    44    45   0.30150 -1.0 2.0
   60    43   -44    48   0.00000  1.0 1.0
   60    43    46    47  -0.11250  1.0 3.0
   60    43    46    49  -0.95700  1.0 1.0
   60    43    46    49  -0.18200 -1.0 2.0
   60    43    46    49   0.29450  1.0 3.0
   60    43    46    53  -0.95700  1.0 1.0
   60    43    46    53  -0.18200 -1.0 2.0
   60    43    46    53   0.29450  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    65   0.00000  1.0 1.0
   62    59    60    43   1.49850  1.0 1.0
   62    59    60    43   1.53950 -1.0 2.0
   62    59    60    61   3.04450 -1.0 2.0
   46    43    44    45   0.30150 -1.0 2.0
   46    43    44    48   0.00000  1.0 1.0
   46    43    60    59   1.39750  1.0 1.0
   46    43    60    59  -0.07950 -1.0 2.0
   46    43    60    59  -0.18750  1.0 3.0
   46    43    60    61   0.30150 -1.0 2.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   49    46    53    54   0.15000  1.0 3.0
   49    46    53    55   0.15000  1.0 3.0
   49    46    53    56   0.15000  1.0 3.0
   53    46    49    50   0.15000  1.0 3.0
   53    46    49    51   0.15000  1.0 3.0
   53    46    49    52   0.15000  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
   29    40    33    37  15.00000 -1.0 2.0
   38    39    37    33  15.00000 -1.0 2.0
   43    48    44    45  10.50000 -1.0 2.0
   48    59    57    58  10.50000 -1.0 2.0
   62    57    59    60   1.00000 -1.0 2.0
   43    59    60    61  10.50000 -1.0 2.0
END
