* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    132    197     389
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036    92.62395    35.93081
    3     1 S   H    _H1_     3     1.02117    33.11693   157.10586
    4     1 S   H    _H2_     4     1.02080    87.75471   -72.68700
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   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   CM   _C5_    36     1.74034    99.28898  -178.14945
   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   _C4_    37     1.34846   119.37468  -120.05712
   38    33 S   CT   _C16    64     1.50185   119.08736    61.74453
   39    38 S   HC   _H35    65     1.09617   110.00634  -151.79099
   40    38 S   HC   _H36    66     1.09710   111.24091   -33.12876
   41    37 S   CT   _C10    38     1.54344   121.62446     1.83077
   42    38 S   CO4  _C6_    67     1.52385   112.07831    86.85834
   43    42 S   O    _O14    68     1.23080   123.12592    -0.11014
   44    41 S   CT   _C7_    39     1.55249   110.99038   158.64345
   45    44 S   HC   _H18    40     1.09675   108.90194   -68.94542
   46    44 S   HC   _H19    41     1.09591   109.30576   174.60740
   47    41 S   CT   _C13    56     1.54301   109.62954   -79.45986
   48    47 S   HC   _H26    57     1.08438   108.92178  -179.98022
   49    47 S   HC   _H27    58     1.08285   108.98688    60.07304
   50    47 S   HC   _H28    59     1.08289   108.99166   -60.01670
   51    41 S   CT   _C14    60     1.54956   112.03064    39.90822
   52    51 S   HC   _H29    61     1.08003   108.39508   180.00000
   53    51 S   HC   _H30    62     1.07956   108.45479    59.99020
   54    51 S   HC   _H31    63     1.08013   108.43667   -60.05330
   55    42 S   CT   _C12    69     1.50627   115.97093  -178.07095
   56    55 S   HC   _H23    70     1.09324   109.52596    90.03865
   57    55 S   HC   _H24    71     1.09413   109.70782  -150.42583
   58    55 S   HC   _H25    72     1.09206   109.65287   -31.05403
   59    44 S   CT   _C9_    42     1.53022   115.23992    51.68976
   60    59 S   HC   _H22    43     1.09461   109.11749  -148.39536
   61    59 S   CT   _C8_    44     1.52585   114.07695   -25.65241
   62    61 S   HC   _H20    45     1.10091   108.04979    92.72882
   63    61 S   HC   _H21    46     1.09989   108.41683  -151.47639
   64    59 S   OH   _O15    54     1.42682   109.09981    96.55243
   65    64 S   HO   _H37    55     0.97060   106.74165  -179.98022
   66    37 S   CT   _C11    47     1.53194   120.65772  -176.95573
   67    66 S   CT   _C15    48     1.53519   111.70644   -85.33410
   68    67 S   HC   _H32    49     1.08432   109.17721   180.00000
   69    67 S   HC   _H33    50     1.08448   109.10068    60.00509
   70    67 S   HC   _H34    51     1.08387   109.13980   -59.97545
   71    66 S   OH   _O16    52     1.43791   110.15109    34.02456
   72    71 S   HO   _H38    53     0.96823   106.15339   179.98022
  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
  15   2   1   1  27  10   4   3  18   5   4  18   7   6   9   3
   2   1   5   2   1   1   3   2   1   1   9   6  11   5   4   2
   1   6   5   3   2   1   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    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    66    38    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    61    66    67    71    47    51    38    39    40    42    43    55  
   35    36  
   36  
    0  
   41    44    45    46    59    61    62    63    66    67    68    69    70    71    72    47    48    49    50    51    52    53    54    38    39    40    42  
   39    40    42    43    55    56    57    58    41    66  
   40    42    43    55  
   42    43    55  
   44    45    46    59    60    61    66    67    71    64    47    48    49    50    51    52    53    54  
   43    55    56    57    58  
   55    56    57    58  
   45    46    59    60    61    62    63    66    64    65    47    48    49    50    51    52    53    54  
   46    59    60    61    64    47    51  
   59    60    61    64    47    51  
   48    49    50    51    52    53    54    59    66  
   49    50    51  
   50    51  
   51  
   52    53    54    59    66  
   53    54  
   54  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    66    67    71    64    65  
   61    62    63    66    64    65  
   62    63    66    67    68    69    70    71    72    64    65  
   63    66    67    71    64  
   66    67    71    64  
   65    66  
    0  
   67    68    69    70    71    72  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   72  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    38   317.000  1.510
   37    41   317.000  1.510
   37    66   317.000  1.510
   41    44   268.000  1.529
   41    47   268.000  1.529
   41    51   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   268.000  1.529
   66    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   64    65   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    38    65.00000  117.37300
   33    37    41    70.00000  124.00000
   33    37    66    70.00000  124.00000
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    42    70.00000  109.06800
   37    41    44    70.00000  112.02700
   37    41    47    70.00000  112.02700
   37    41    51    70.00000  112.02700
   37    66    61    70.00000  112.02700
   37    66    67    70.00000  112.02700
   37    66    71    90.00000  110.39200
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    59    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    37.50000  110.70000
   41    51    53    37.50000  110.70000
   41    51    54    37.50000  110.70000
   44    59    60    37.50000  110.70000
   44    59    61    58.35000  112.70000
   44    59    64    50.00000  109.50000
   46    44    45    33.00000  107.80000
   59    44    45    37.50000  110.70000
   59    44    46    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    64    65    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    66    67    58.35000  112.70000
   61    66    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   66    37    41    65.00000  117.92700
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    59    61    50.00000  109.50000
   47    41    44    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    44    58.35000  112.70000
   51    41    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   38    33    37    70.00000  124.00000
   38    42    43    80.00000  120.40000
   38    42    55    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    55    56    35.00000  109.50000
   42    55    57    35.00000  109.50000
   42    55    58    35.00000  109.50000
   55    42    43    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    38   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    41   7.00000 -1.0 2.0
   29    33    37    66   7.00000 -1.0 2.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   33    37    41    44   0.09850  1.0 1.0
   33    37    41    44   0.15250 -1.0 2.0
   33    37    41    44  -0.50650  1.0 3.0
   33    37    41    47   0.09850  1.0 1.0
   33    37    41    47   0.15250 -1.0 2.0
   33    37    41    47  -0.50650  1.0 3.0
   33    37    41    51   0.09850  1.0 1.0
   33    37    41    51   0.15250 -1.0 2.0
   33    37    41    51  -0.50650  1.0 3.0
   33    37    66    61   0.09850  1.0 1.0
   33    37    66    61   0.15250 -1.0 2.0
   33    37    66    61  -0.50650  1.0 3.0
   33    37    66    67   0.09850  1.0 1.0
   33    37    66    67   0.15250 -1.0 2.0
   33    37    66    67  -0.50650  1.0 3.0
   33    37    66    71   0.67800  1.0 1.0
   33    37    66    71   0.47050 -1.0 2.0
   33    37    66    71  -0.62500  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    55   0.65300  1.0 1.0
   33    38    42    55  -0.03850 -1.0 2.0
   33    38    42    55   0.33900  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    40   0.00000  1.0 1.0
   37    33    38    42  -0.51250  1.0 1.0
   37    33    38    42  -0.88800 -1.0 2.0
   37    33    38    42   0.08850  1.0 3.0
   37    41    44    45   0.15000  1.0 3.0
   37    41    44    46   0.15000  1.0 3.0
   37    41    44    59   0.34400  1.0 1.0
   37    41    44    59   0.09450 -1.0 2.0
   37    41    44    59   0.11100  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    50   0.15000  1.0 3.0
   37    41    51    52   0.15000  1.0 3.0
   37    41    51    53   0.15000  1.0 3.0
   37    41    51    54   0.15000  1.0 3.0
   37    66    67    68   0.15000  1.0 3.0
   37    66    67    69   0.15000  1.0 3.0
   37    66    67    70   0.15000  1.0 3.0
   37    66    71    72  -0.07800  1.0 1.0
   37    66    71    72  -0.21500 -1.0 2.0
   37    66    71    72  -0.03150  1.0 3.0
   41    37    66    61   0.46850  1.0 1.0
   41    37    66    61   0.08550 -1.0 2.0
   41    37    66    61   0.09800  1.0 3.0
   41    37    66    67   0.46850  1.0 1.0
   41    37    66    67   0.08550 -1.0 2.0
   41    37    66    67   0.09800  1.0 3.0
   41    37    66    71   0.18000  1.0 1.0
   41    37    66    71   0.16450 -1.0 2.0
   41    37    66    71   0.04450  1.0 3.0
   41    44    59    60   0.15000  1.0 3.0
   41    44   -59    61   0.56750  1.0 1.0
   41    44   -59    61  -0.07550 -1.0 2.0
   41    44   -59    61   0.20000  1.0 3.0
   41    44    59    64   0.86500  1.0 1.0
   41    44    59    64  -0.17500 -1.0 2.0
   41    44    59    64   0.20800  1.0 3.0
   44    41    47    48   0.15000  1.0 3.0
   44    41    47    49   0.15000  1.0 3.0
   44    41    47    50   0.15000  1.0 3.0
   44    41    51    52   0.15000  1.0 3.0
   44    41    51    53   0.15000  1.0 3.0
   44    41    51    54   0.15000  1.0 3.0
   44    59    61    62   0.15000  1.0 3.0
   44    59    61    63   0.15000  1.0 3.0
   44    59    61    66   0.56750  1.0 1.0
   44    59    61    66  -0.07550 -1.0 2.0
   44    59    61    66   0.20000  1.0 3.0
   44    59    64    65  -0.11600  1.0 1.0
   44    59    64    65  -0.09450 -1.0 2.0
   44    59    64    65   0.21250  1.0 3.0
   45    44    59    60   0.15000  1.0 3.0
   45    44    59    61   0.15000  1.0 3.0
   45    44    59    64   0.23400  1.0 3.0
   46    44    59    60   0.15000  1.0 3.0
   46    44    59    61   0.15000  1.0 3.0
   46    44    59    64   0.23400  1.0 3.0
   59    61   -66    37   0.34400  1.0 1.0
   59    61   -66    37   0.09450 -1.0 2.0
   59    61   -66    37   0.11100  1.0 3.0
   59    61    66    67   0.56750  1.0 1.0
   59    61    66    67  -0.07550 -1.0 2.0
   59    61    66    67   0.20000  1.0 3.0
   59    61    66    71   0.86500  1.0 1.0
   59    61    66    71  -0.17500 -1.0 2.0
   59    61    66    71   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    59    64    65  -0.11600  1.0 1.0
   61    59    64    65  -0.09450 -1.0 2.0
   61    59    64    65   0.21250  1.0 3.0
   61    66    67    68   0.15000  1.0 3.0
   61    66    67    69   0.15000  1.0 3.0
   61    66    67    70   0.15000  1.0 3.0
   61    66    71    72  -0.11600  1.0 1.0
   61    66    71    72  -0.09450 -1.0 2.0
   61    66    71    72   0.21250  1.0 3.0
   62    61    66    37   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    71   0.23400  1.0 3.0
   63    61    66    37   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    71   0.23400  1.0 3.0
   66    37   -41    44   0.46850  1.0 1.0
   66    37   -41    44   0.08550 -1.0 2.0
   66    37   -41    44   0.09800  1.0 3.0
   66    37    41    47   0.46850  1.0 1.0
   66    37    41    47   0.08550 -1.0 2.0
   66    37    41    47   0.09800  1.0 3.0
   66    37    41    51   0.46850  1.0 1.0
   66    37    41    51   0.08550 -1.0 2.0
   66    37    41    51   0.09800  1.0 3.0
   67    66    71    72  -0.11600  1.0 1.0
   67    66    71    72  -0.09450 -1.0 2.0
   67    66    71    72   0.21250  1.0 3.0
   71    66    67    68   0.23400  1.0 3.0
   71    66    67    69   0.23400  1.0 3.0
   71    66    67    70   0.23400  1.0 3.0
   64    59    61    62   0.23400  1.0 3.0
   64    59    61    63   0.23400  1.0 3.0
   64    59    61    66   0.86500  1.0 1.0
   64    59    61    66  -0.17500 -1.0 2.0
   64    59    61    66   0.20800  1.0 3.0
   47    41    44    45   0.15000  1.0 3.0
   47    41    44    46   0.15000  1.0 3.0
   47    41    44    59   0.56750  1.0 1.0
   47    41    44    59  -0.07550 -1.0 2.0
   47    41    44    59   0.20000  1.0 3.0
   47    41    51    52   0.15000  1.0 3.0
   47    41    51    53   0.15000  1.0 3.0
   47    41    51    54   0.15000  1.0 3.0
   51    41    44    45   0.15000  1.0 3.0
   51    41    44    46   0.15000  1.0 3.0
   51    41    44    59   0.56750  1.0 1.0
   51    41    44    59  -0.07550 -1.0 2.0
   51    41    44    59   0.20000  1.0 3.0
   51    41    47    48   0.15000  1.0 3.0
   51    41    47    49   0.15000  1.0 3.0
   51    41    47    50   0.15000  1.0 3.0
   38    33    37    41   7.00000 -1.0 2.0
   38    33    37    66   7.00000 -1.0 2.0
   38    42    55    56   0.00000  1.0 1.0
   38    42    55    57   0.00000  1.0 1.0
   38    42    55    58   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    55   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    55   0.00000  1.0 1.0
   43    42    55    56   0.00000  1.0 1.0
   43    42    55    57   0.00000  1.0 1.0
   43    42    55    58   0.00000  1.0 1.0
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
   29    38    33    37   1.10000 -1.0 2.0
   41    66    37    33   1.10000 -1.0 2.0
   38    55    42    43  10.50000 -1.0 2.0
END
