* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    109    163     324
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02032   105.27275     1.70479
    3     1 S   H    _H1_     3     1.02108    46.70635   103.23606
    4     1 S   H    _H2_     4     1.02081    65.90718  -102.29721
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT2  _C13    36     1.85393    97.17070   159.98702
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.52735   104.39806   -79.99724
   38    37 S   HC   _H19    38     1.09042   114.98776   -25.68052
   39    33 S   C    _C8_    53     1.53734   109.52859   166.58857
   40    39 S   O    _O13    54     1.22678   124.02537   112.21037
   41    33 S   CT2  _C12    57     1.55271   110.78161    44.90386
   42    41 S   HC   _H27    58     1.09649   111.70024   -88.46883
   43    37 S   CM   _C4_    39     1.34103   126.97228   154.28301
   44    43 S   HC   _H18    40     1.08248   122.40583   179.56031
   45    39 S   OH   _O15    55     1.35783   114.31718   -71.46398
   46    45 S   HO   _H29    56     0.98126   114.34031  -176.34120
   47    41 S   C    _C7_    59     1.51929   115.78292    35.65633
   48    47 S   O    _O34    60     1.22299   125.46405    23.98468
   49    41 S   OH   _O16    63     1.43256   110.38450   153.91573
   50    49 S   HO   _H30    64     0.96834   106.17741   -65.13157
   51    43 S   CO4  _C6_    41     1.49502   120.79200    -0.00000
   52    51 S   O    _O33    42     1.22888   121.57989   -90.96120
   53    47 S   OH   _O14    61     1.35650   111.23589  -157.03935
   54    53 S   HO   _H28    62     0.98057   111.91792  -178.96146
   55    51 S   CT   _C11    43     1.52604   116.04498    90.03918
   56    55 S   HC   _H26    44     1.09693   108.20835   -60.09322
   57    55 S   CT   _C9_    45     1.52739   110.87276  -177.86834
   58    57 S   HC   _H20    46     1.09454   110.80176   -61.86373
   59    57 S   HC   _H21    47     1.09648   111.48813   178.32065
   60    57 S   HC   _H22    48     1.09450   110.78483    58.04659
   61    55 S   CT   _C10    49     1.52501   109.78006    59.38709
   62    61 S   HC   _H23    50     1.09435   110.88210    61.40799
   63    61 S   HC   _H24    51     1.09564   111.18915   -59.14408
   64    61 S   HC   _H25    52     1.09584   111.09698  -178.68374
  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
  16   2   1   1  13   5   8   3   9   5   7   3   1   1   5   3
   2   1  11   4   1   1   9   8   7   3   2   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    45    41    42    47    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    51    39    40    45    46    41    42    47    48    53    49    50  
   35    36  
   36  
    0  
   38    43    44    51    52    55    39    40    45    41    42    47    49  
   43    44    51    39    41  
   40    45    46    41    42    47    49    43  
   45    46    41  
   42    47    48    53    54    49    50    43    45  
   47    48    53    49    50  
   44    51    52    55    56    57    61  
   51    52    55  
   46  
    0  
   48    53    54    49    50  
   53    54    49  
   50    53  
    0  
   52    55    56    57    58    59    60    61    62    63    64  
   55    56    57    61  
   54  
    0  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62    63    64  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   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   0.167500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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    39   317.000  1.522
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    43   549.000  1.340
   43    44   340.000  1.080
   43    51   320.000  1.462
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   570.000  1.229
   39    45   450.000  1.364
   45    46   553.000  0.945
   41    42   340.000  1.090
   41    47   317.000  1.522
   41    49   320.000  1.410
   47    48   570.000  1.229
   47    53   450.000  1.364
   53    54   553.000  0.945
   49    50   553.000  0.945
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    39    70.00000  112.33000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    80.00000  120.40000
   33    39    45    70.00000  108.00000
   33    41    42    37.50000  110.70000
   33    41    47    63.00000  111.10000
   33    41    49    50.00000  109.50000
   37    43    44    35.00000  120.00000
   37    43    51    65.00000  118.96000
   43    37    38    35.00000  120.00000
   43    51    52    80.00000  123.72100
   43    51    55    65.00000  118.62400
   51    43    44    40.00000  117.72500
   51    55    56    35.00000  109.50000
   51    55    57    63.00000  111.10000
   51    55    61    63.00000  111.10000
   55    51    52    80.00000  120.40000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   57    55    56    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    70.00000  115.00700
   39    45    46    35.00000  113.00000
   45    39    40   100.00000  123.32000
   41    33    37    70.00000  112.02700
   41    33    39    63.00000  111.10000
   41    47    48    80.00000  120.40000
   41    47    53    70.00000  108.00000
   41    49    50    55.00000  108.50000
   47    41    42    35.00000  109.50000
   47    53    54    35.00000  113.00000
   53    47    48   100.00000  123.32000
   49    41    42    35.00000  109.50000
   49    41    47    95.00000  109.52300
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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    45   0.40000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    51   7.00000 -1.0 2.0
   33    39    45    46   1.50000  1.0 1.0
   33    39    45    46   2.45000 -1.0 2.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    53   0.50000  1.0 1.0
   33    41    47    53   0.27300 -1.0 2.0
   33    41    47    53   0.22500  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    45   0.40000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    47  -0.98800  1.0 1.0
   37    33    41    47   0.48800 -1.0 2.0
   37    33    41    47   0.76800  1.0 3.0
   37    33    41    49   1.05650  1.0 1.0
   37    33    41    49   0.15600 -1.0 2.0
   37    33    41    49   0.53150  1.0 3.0
   37    43    51    52   1.00000 -1.0 2.0
   37    43    51    55  -0.33500  1.0 1.0
   37    43    51    55   1.06600 -1.0 2.0
   37    43    51    55  -0.14000  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    51   7.00000 -1.0 2.0
   43    51    55    56   0.00000  1.0 1.0
   43    51    55    57   0.65300  1.0 1.0
   43    51    55    57  -0.03850 -1.0 2.0
   43    51    55    57   0.33900  1.0 3.0
   43    51    55    61   0.65300  1.0 1.0
   43    51    55    61  -0.03850 -1.0 2.0
   43    51    55    61   0.33900  1.0 3.0
   44    43    51    52   0.00000  1.0 1.0
   44    43    51    55   0.04550  1.0 1.0
   44    43    51    55   0.83000 -1.0 2.0
   44    43    51    55  -0.04000  1.0 3.0
   51    55    57    58  -0.11250  1.0 3.0
   51    55    57    59  -0.11250  1.0 3.0
   51    55    57    60  -0.11250  1.0 3.0
   51    55    61    62  -0.11250  1.0 3.0
   51    55    61    63  -0.11250  1.0 3.0
   51    55    61    64  -0.11250  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.30150 -1.0 2.0
   52    51    55    61   0.30150 -1.0 2.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    55    57    58   0.15000  1.0 3.0
   61    55    57    59   0.15000  1.0 3.0
   61    55    57    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43  -0.51250  1.0 1.0
   39    33    37    43  -0.88800 -1.0 2.0
   39    33    37    43   0.08850  1.0 3.0
   39    33    41    42  -0.11250  1.0 3.0
   39    33    41    47   0.11950  1.0 1.0
   39    33    41    47   0.20300 -1.0 2.0
   39    33    41    47  -0.70800  1.0 3.0
   39    33    41    49  -0.09450  1.0 1.0
   39    33    41    49  -1.12950 -1.0 2.0
   39    33    41    49   0.54000  1.0 3.0
   40    39    45    46   0.92200  1.0 1.0
   40    39    45    46   3.74100 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    43   0.09850  1.0 1.0
   41    33    37    43   0.15250 -1.0 2.0
   41    33    37    43  -0.50650  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   41    33    39    45   0.50000  1.0 1.0
   41    33    39    45   0.27300 -1.0 2.0
   41    33    39    45   0.22500  1.0 3.0
   41    47    53    54   1.50000  1.0 1.0
   41    47    53    54   2.45000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    53   0.00000  1.0 1.0
   42    41    49    50   0.19450  1.0 3.0
   47    41    49    50   0.91850  1.0 1.0
   47    41    49    50   0.57950  1.0 3.0
   48    47    53    54   0.92200  1.0 1.0
   48    47    53    54   3.74100 -1.0 2.0
   49    41    47    48   0.30150 -1.0 2.0
   49    41    47    53   2.24650  1.0 1.0
   49    41    47    53   0.70300 -1.0 2.0
   49    41    47    53   0.26850  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    43  15.00000 -1.0 2.0
   51    44    43    37  15.00000 -1.0 2.0
   43    55    51    52  10.50000 -1.0 2.0
   33    45    39    40  10.50000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
END
