* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    129    199     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085    55.23445    88.48018
    3     1 S   H    _H1_     3     1.02111    56.85839  -114.86741
    4     1 S   H    _H2_     4     1.02117   106.62715   -13.09423
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   CT   _C15    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09365   108.36295   -56.30949
   35    33 S   HC   _H4_    38     1.09556   108.74634    59.32886
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C6_    39     1.50552   110.45042   179.97202
   40    39 S   CMA  _C7_    40     1.35912   125.56428  -118.72860
   41    40 S   OM   _O15    41     1.26434   125.96986     0.01978
   42    39 S   OS   _O23    44     1.39002   112.72309    59.24426
   43    40 S   OH   _O19    42     1.40623   112.86918   179.60189
   44    43 S   HO   _H37    43     0.97324   105.27881  -180.00000
   45    42 S   CT   _C12    45     1.42866   112.26026    61.93463
   46    45 S   HC   _H28    46     1.09495   106.23481   -37.08680
   47    45 S   CM   _C5_    47     1.49513   108.06445    80.00715
   48    47 S   HC   _H26    48     1.08636   118.05941   -42.40449
   49    47 S   CM   _C4_    49     1.33872   123.04806   137.67707
   50    49 S   HC   _H25    50     1.08687   118.45089  -178.32019
   51    49 S   CT   _C11    51     1.50091   123.50379     2.05928
   52    51 S   HC   _H27    52     1.09750   108.47476  -119.01707
   53    51 S   CT   _C13    53     1.54021   114.68931     6.36981
   54    53 S   HC   _H29    54     1.09817   111.63362    89.96095
   55    51 S   CO4  _C8_    63     1.50142   104.69107   126.42172
   56    55 S   O    _O16    64     1.23005   120.97779   -64.80064
   57    45 S   CT   _C14    55     1.53373   108.52518  -156.79814
   58    57 S   HC   _H30    56     1.09791   110.15341   -39.86088
   59    53 S   C    _C9_    59     1.50352   107.82461  -153.80912
   60    59 S   O    _O17    60     1.22220   125.03700    90.26494
   61    55 S   CT   _C16    65     1.51808   116.12889   115.18701
   62    61 S   HC   _H33    66     1.09566   108.01591   -59.98608
   63    61 S   HC   _H34    67     1.09554   107.99015    56.80085
   64    57 S   OH   _O22    57     1.43166   106.95136    75.75708
   65    64 S   HO   _H40    58     0.96813   106.17587   180.00000
   66    59 S   OH   _O20    61     1.35588   110.69990   -89.64941
   67    66 S   HO   _H38    62     0.98134   111.92447   179.86583
   68    61 S   CT   _C17    68     1.52596   112.51654   178.40750
   69    68 S   HC   _H35    69     1.09559   109.72084    60.01625
   70    68 S   HC   _H36    70     1.09593   109.72299   -59.38317
   71    68 S   C    _C10    71     1.51058   111.91317  -179.69804
   72    71 S   O    _O18    72     1.22266   125.50794    -1.11206
   73    71 S   OH   _O21    73     1.35922   111.36529   178.85482
   74    73 S   HO   _H39    74     0.98186   114.87880  -179.96044
  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   6   5   4   3
   8   4   3   2   1   1   9   5   3  10   1   1  13   7  10   4
  10   4  15   7  12   7  10   4   6   3   4   2   8   5   4   1
   1   1   1   6   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    42    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    43    44    42    45    46    47    57  
   41    43    44    42    45  
   43    44    42  
   45    46    47    48    49    53    57    58    64    43  
   44  
    0  
   46    47    48    49    50    51    53    54    57    58    64    65    59  
   47    48    49    53    57    58    64  
   48    49    50    51    52    53    57    58    64    55  
   49    50    51    57  
   50    51    52    53    54    57    59    55    56    61  
   51    52    53    55  
   52    53    54    57    58    64    59    60    66    55    56    61    62    63    68  
   53    54    57    59    55    56    61  
   54    57    58    64    65    59    60    66    67    55    56    61  
   57    58    64    59    60    66    55  
   56    61    62    63    68    69    70    71    57    59  
   61    62    63    68  
   58    64    65    59    60    66  
   64    65    59  
   60    66    67    64  
   66    67  
   62    63    68    69    70    71    72    73  
   63    68    69    70    71  
   68    69    70    71  
   65  
    0  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   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   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.450000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   440.000  1.360
   40    41   745.000  1.250
   40    43   510.000  1.338
   43    44   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    57   268.000  1.529
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   317.000  1.522
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   317.000  1.522
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   59    60   570.000  1.229
   59    66   450.000  1.364
   66    67   553.000  0.945
   55    56   570.000  1.229
   55    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.522
   71    72   570.000  1.229
   71    73   450.000  1.364
   73    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    43    80.00000  121.38400
   39    42    45    90.00000  111.18400
   40    43    44    70.00000  107.45700
   43    40    41   115.00000  116.36000
   42    39    40    80.00000  120.01400
   42    45    46    35.00000  109.50000
   42    45    47    85.00000  110.90400
   42    45    57    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    49    70.00000  124.00000
   45    57    53    58.35000  112.70000
   45    57    58    37.50000  110.70000
   45    57    64    50.00000  109.50000
   47    45    46    35.00000  109.50000
   47    49    50    35.00000  120.00000
   47    49    51    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  109.50000
   49    51    53    70.00000  112.02700
   49    51    55    70.00000  109.06800
   51    49    50    35.00000  117.00000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    59    63.00000  111.10000
   51    55    56    80.00000  120.40000
   51    55    61    70.00000  116.00000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    64    50.00000  109.50000
   53    59    60    80.00000  120.40000
   53    59    66    70.00000  108.00000
   57    45    46    37.50000  110.70000
   57    45    47    70.00000  112.02700
   57    53    54    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    57    63.00000  111.10000
   59    66    67    35.00000  113.00000
   66    59    60   100.00000  123.32000
   55    51    52    35.00000  109.50000
   55    51    53    63.00000  111.10000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    68    63.00000  111.10000
   61    55    56    80.00000  120.40000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    63.00000  111.10000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    73    70.00000  108.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  113.00000
   73    71    72   100.00000  123.32000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    42    45   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.00000  1.0 1.0
   39    40    43    44  -0.66100  1.0 1.0
   39    40    43    44   1.20850 -1.0 2.0
   39    40    43    44  -0.36000  1.0 3.0
   39    42    45    46   0.08050  1.0 3.0
   39    42    45    47  -0.48150  1.0 1.0
   39    42    45    47   0.09250 -1.0 2.0
   39    42    45    47  -0.12850  1.0 3.0
   39    42    45    57  -0.46850  1.0 1.0
   39    42    45    57   0.09300 -1.0 2.0
   39    42    45    57  -0.12850  1.0 3.0
   40    39    42    45  -2.26850  1.0 1.0
   40    39    42    45   3.39050 -1.0 2.0
   41    40    43    44   2.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    43   7.00000 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.39000  1.0 1.0
   42    45    47    49  -0.05800 -1.0 2.0
   42    45    47    49  -0.55150  1.0 3.0
   42    45    57    53   0.62750  1.0 1.0
   42    45    57    53  -0.30950 -1.0 2.0
   42    45    57    53   0.27300  1.0 3.0
   42    45    57    58   0.23400  1.0 3.0
   42    45    57    64   3.69350  1.0 1.0
   42    45    57    64  -1.82950 -1.0 2.0
   45    47    49    50   7.00000 -1.0 2.0
   45    47    49    51   7.00000 -1.0 2.0
   45    57    64    65  -0.11600  1.0 1.0
   45    57    64    65  -0.09450 -1.0 2.0
   45    57    64    65   0.21250  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    57    53   0.15000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    64   0.23400  1.0 3.0
   47    45    57    53   0.34400  1.0 1.0
   47    45    57    53   0.09450 -1.0 2.0
   47    45    57    53   0.11100  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    64   1.05650  1.0 1.0
   47    45    57    64   0.15600 -1.0 2.0
   47    45    57    64   0.53150  1.0 3.0
   47    49    51    52   0.00000  1.0 1.0
   47    49   -51    53   0.09850  1.0 1.0
   47    49   -51    53   0.15250 -1.0 2.0
   47    49   -51    53  -0.50650  1.0 3.0
   47    49    51    55  -0.51250  1.0 1.0
   47    49    51    55  -0.88800 -1.0 2.0
   47    49    51    55   0.08850  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    57   0.34400  1.0 1.0
   49    51    53    57   0.09450 -1.0 2.0
   49    51    53    57   0.11100  1.0 3.0
   49    51    53    59  -0.98800  1.0 1.0
   49    51    53    59   0.48800 -1.0 2.0
   49    51    53    59   0.76800  1.0 3.0
   49    51    55    56   0.30150 -1.0 2.0
   49    51    55    61   0.65300  1.0 1.0
   49    51    55    61  -0.03850 -1.0 2.0
   49    51    55    61   0.33900  1.0 3.0
   50    49    51    52   0.33100  1.0 3.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   51    53   -57    45   0.56750  1.0 1.0
   51    53   -57    45  -0.07550 -1.0 2.0
   51    53   -57    45   0.20000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    64   0.86500  1.0 1.0
   51    53    57    64  -0.17500 -1.0 2.0
   51    53    57    64   0.20800  1.0 3.0
   51    53    59    60   0.30150 -1.0 2.0
   51    53    59    66   0.50000  1.0 1.0
   51    53    59    66   0.27300 -1.0 2.0
   51    53    59    66   0.22500  1.0 3.0
   51    55    61    62   0.00000  1.0 1.0
   51    55    61    63   0.00000  1.0 1.0
   51    55    61    68   0.60050  1.0 1.0
   51    55    61    68   0.05600 -1.0 2.0
   51    55    61    68   0.26150  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59  -0.11250  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    61   0.00000  1.0 1.0
   53    51    55    56   0.30150 -1.0 2.0
   53    51    55    61   0.60050  1.0 1.0
   53    51    55    61   0.05600 -1.0 2.0
   53    51    55    61   0.26150  1.0 3.0
   53    57    64    65  -0.11600  1.0 1.0
   53    57    64    65  -0.09450 -1.0 2.0
   53    57    64    65   0.21250  1.0 3.0
   53    59    66    67   1.50000  1.0 1.0
   53    59    66    67   2.45000 -1.0 2.0
   54    53    57    45   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    64   0.23400  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    66   0.00000  1.0 1.0
   57    45    47    48   0.00000  1.0 1.0
   57    45   -47    49   0.09850  1.0 1.0
   57    45   -47    49   0.15250 -1.0 2.0
   57    45   -47    49  -0.50650  1.0 3.0
   57    53    59    60   0.30150 -1.0 2.0
   57    53    59    66   0.50000  1.0 1.0
   57    53    59    66   0.27300 -1.0 2.0
   57    53    59    66   0.22500  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   59    53    57    45  -0.95700  1.0 1.0
   59    53    57    45  -0.18200 -1.0 2.0
   59    53    57    45   0.29450  1.0 3.0
   59    53    57    58  -0.11250  1.0 3.0
   59    53    57    64  -0.09450  1.0 1.0
   59    53    57    64  -1.12950 -1.0 2.0
   59    53    57    64   0.54000  1.0 3.0
   60    59    66    67   0.92200  1.0 1.0
   60    59    66    67   3.74100 -1.0 2.0
   55    51    53    54  -0.11250  1.0 3.0
   55    51    53    57  -0.95700  1.0 1.0
   55    51    53    57  -0.18200 -1.0 2.0
   55    51    53    57   0.29450  1.0 3.0
   55    51    53    59   0.11950  1.0 1.0
   55    51    53    59   0.20300 -1.0 2.0
   55    51    53    59  -0.70800  1.0 3.0
   55    61    68    69  -0.11250  1.0 3.0
   55    61    68    70  -0.11250  1.0 3.0
   55    61    68    71   0.11950  1.0 1.0
   55    61    68    71   0.20300 -1.0 2.0
   55    61    68    71  -0.70800  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.00000  1.0 1.0
   56    55    61    68   0.30150 -1.0 2.0
   61    68    71    72   0.30150 -1.0 2.0
   61    68    71    73   0.50000  1.0 1.0
   61    68    71    73   0.27300 -1.0 2.0
   61    68    71    73   0.22500  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71  -0.11250  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71  -0.11250  1.0 3.0
   68    71    73    74   1.50000  1.0 1.0
   68    71    73    74   2.45000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    73   0.00000  1.0 1.0
   72    71    73    74   0.92200  1.0 1.0
   72    71    73    74   3.74100 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    43    40    39  15.00000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   53    66    59    60  10.50000 -1.0 2.0
   51    61    55    56  10.50000 -1.0 2.0
   68    73    71    72  10.50000 -1.0 2.0
END
