* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    141    220     419
    1     0 S   NP   _N1_     1    28.64809    95.32965   -23.65038
    2     1 S   H    _HN1     2     1.02948    75.52408    16.91925
    3     1 S   H    _H1_     3     1.02827    34.77261   171.55794
    4     1 S   H    _H2_     4     1.02788   105.03979   -88.60987
    5     1 S   CT   _CA1     5     1.50119   137.19295   121.46516
    6     5 S   HC   _HA1     6     1.09572   105.18333    87.15053
    7     5 S   CO3  _C1_     7     1.53782   112.47407   -33.09078
    8     7 S   O2Z  _O11     8     1.26377   115.00105   -42.07011
    9     7 S   O2Z  _O12     9     1.26234   114.94739   137.02079
   10     5 S   CT   _CB1    10     1.53068   107.41727  -154.84079
   11    10 S   HC   HB11    11     1.09836   109.37879   -49.32028
   12    10 S   HC   HB12    12     1.09812   110.45093    67.29308
   13    10 S   CT   _CG1    13     1.52993   112.61077  -170.26522
   14    13 S   HC   HG11    14     1.09579   110.69714   -66.20529
   15    13 S   HC   HG12    15     1.09673   109.74651    53.03042
   16    13 S   C    _CD1    16     1.51802   112.12539   173.52601
   17    16 S   O    _OE1    17     1.22733   123.27437     9.60930
   18    16 S   N    _N2_    18     1.38616   111.69876  -170.53666
   19    18 S   H    _HN2    19     1.01556   118.88471     1.65659
   20    18 S   CT1  _CA2    20     1.46226   123.45264   177.39601
   21    20 S   HC   _HA2    21     1.09721   109.40452     5.01759
   22    20 S   C    _C2_    22     1.53595   108.63996  -110.68011
   23    22 S   O    _O2_    23     1.23072   122.22977  -148.28703
   24    20 S   CT   _CB2    32     1.53352   111.48637   127.16968
   25    24 S   HC   HB21    33     1.09393   109.42084    58.05130
   26    24 S   HC   HB22    34     1.09487   110.01834   176.53711
   27    22 S   N    _N3_    24     1.38299   113.81132    39.04957
   28    27 S   H    _HN3    25     1.01568   119.60935    -3.07702
   29    24 S   S    _SG2    35     1.83066   111.37992   -64.13616
   30    27 S   CT   _CA3    26     1.45282   123.24842   177.35862
   31    30 S   HC   HA31    27     1.09547   107.49639   -65.32615
   32    30 S   HC   HA32    28     1.09557   108.01171    51.13118
   33    29 S   CT   _C13    36     1.87033   101.66581   159.74912
   34    30 S   CO3  _C3_    29     1.52969   114.05253   173.15026
   35    34 S   O2Z  _O31    30     1.26379   116.06973    -0.19979
   36    34 S   O2Z  _O32    31     1.26425   114.41361   179.86878
   37    33 S   CM   _C12    37     1.52147   106.93306   -68.11887
   38    37 S   HC   _H11    38     1.08958   114.67106   -58.53089
   39    33 S   CT   _C14    66     1.53948   108.78770    57.60080
   40    39 S   HC   _H12    67     1.09653   111.42779    58.40145
   41    39 S   HC   _H13    68     1.09513   112.71094   -62.81671
   42    39 S   HC   _H14    69     1.09604   111.40034   177.84605
   43    33 S   CT   _C15    70     1.54715   105.44162   175.47992
   44    43 S   HC   _H15    71     1.09975   111.08369    57.96321
   45    43 S   HC   _H16    72     1.09931   110.50117   -59.47492
   46    37 S   CM   _C11    39     1.34496   127.02009   122.52486
   47    46 S   HC   _H10    40     1.08526   117.62306    -1.92955
   48    43 S   CO3  _C16    73     1.53441   113.88420   179.07254
   49    48 S   O2Z  _O35    74     1.26332   115.31619   -84.67705
   50    48 S   O2Z  _O34    75     1.26327   115.03148    96.37332
   51    46 S   CT   _C10    41     1.51696   126.18907   178.52608
   52    51 S   CT   _C5_    42     1.54574   116.50113  -135.79978
   53    51 S   OH   _O36    64     1.43724   109.49560   -11.81948
   54    53 S   HO   _H17    65     0.97301   108.12042   -55.51729
   55    52 S   CT   _C6_    43     1.54764   111.74436   -53.14972
   56    55 S   HC   _H6_    44     1.09738   109.64037  -170.52603
   57    55 S   HC   _H7_    45     1.09559   111.02086    71.12790
   58    52 S   CT   _C17    53     1.53891   100.13852  -168.45691
   59    58 S   HC   _H18    54     1.09472   113.48622   153.97947
   60    58 S   HC   _H19    55     1.09575   112.44336   -83.09481
   61    52 S   CT   _C4_    60     1.53060   115.07943    72.06319
   62    61 S   HC   _H3_    61     1.09483   112.08489    58.81451
   63    61 S   HC   _H4_    62     1.09523   111.07176   -61.86702
   64    61 S   HC   _H5_    63     1.09590   110.85812   178.32030
   65    55 S   CO4  _C7_    46     1.51731   113.54413   -50.45568
   66    65 S   O    _O33    47     1.23256   120.54154  -159.39296
   67    65 S   CT   _C8_    48     1.51578   118.63824    25.65438
   68    67 S   HC   _H8_    49     1.09510   108.29346    97.08492
   69    67 S   HC   _H9_    50     1.09713   106.67036  -146.32928
   70    51 S   CT   _C9_    51     1.54709   115.14707   110.32017
   71    70 S   OS   _O37    52     1.45371   104.73396   166.94838
   72    70 S   CT   _C18    56     1.52789   114.53631   -74.95771
   73    72 S   HC   _H20    57     1.09529   111.46703   -59.18296
   74    72 S   HC   _H21    58     1.09616   110.67141  -176.73613
   75    72 S   HC   _H22    59     1.09353   111.64783    62.57186
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  12   4   2
   1   1  23  18   8   1  16   6   5  11   4   3   6   2   1   1
   7   4   8   4   3   5   4   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    70    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    55    67    70    71    58    72    61    53    54  
   51    52    70    53  
   49    50  
   50  
    0  
   52    55    56    57    65    67    68    69    70    71    58    59    60    72    73    74    75    61    62    63    64    53    54  
   55    56    57    65    66    67    70    71    58    59    60    72    61    62    63    64    53    54  
   54    55    58    61    67    70    71    72  
   70  
   56    57    65    66    67    68    69    70    71    58    59    60    61    62    63    64  
   57    65    66    67    58    61  
   65    66    67    58    61  
   59    60    72    61    62    63    64    65    67    70    71  
   60    61    70    71  
   61    70    71  
   62    63    64    65    70    71  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   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
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   268.000  1.529
   51    70   268.000  1.529
   51    53   320.000  1.410
   52    55   268.000  1.529
   52    58   268.000  1.529
   52    61   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   71    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    51    52    70.00000  112.02700
   46    51    70    70.00000  112.02700
   46    51    53    90.00000  110.39200
   51    46    47    35.00000  117.00000
   51    52    55    58.35000  112.70000
   51    52    58    58.35000  112.70000
   51    52    61    58.35000  112.70000
   51    70    67    58.35000  112.70000
   51    70    71    50.00000  109.50000
   51    70    72    58.35000  112.70000
   51    53    54    55.00000  108.50000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    65    63.00000  111.10000
   52    58    71    50.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   55    65    66    80.00000  120.40000
   55    65    67    70.00000  116.00000
   57    55    56    33.00000  107.80000
   65    55    56    35.00000  109.50000
   65    55    57    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    51    52    58.35000  112.70000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    58    60.00000  109.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   71    58    59    35.00000  109.50000
   71    58    60    35.00000  109.50000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   61    52    55    58.35000  112.70000
   61    52    58    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
   53    51    52    50.00000  109.50000
   53    51    70    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    70   0.09850  1.0 1.0
   37    46    51    70   0.15250 -1.0 2.0
   37    46    51    70  -0.50650  1.0 3.0
   37    46    51    53   0.67800  1.0 1.0
   37    46    51    53   0.47050 -1.0 2.0
   37    46    51    53  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    55   0.34400  1.0 1.0
   46    51    52    55   0.09450 -1.0 2.0
   46    51    52    55   0.11100  1.0 3.0
   46    51    52    58   0.34400  1.0 1.0
   46    51    52    58   0.09450 -1.0 2.0
   46    51    52    58   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    70    67   0.34400  1.0 1.0
   46    51    70    67   0.09450 -1.0 2.0
   46    51    70    67   0.11100  1.0 3.0
   46    51    70    71   0.61850  1.0 1.0
   46    51    70    71  -0.22750 -1.0 2.0
   46    51    70    71   0.15300  1.0 3.0
   46    51    70    72   0.34400  1.0 1.0
   46    51    70    72   0.09450 -1.0 2.0
   46    51    70    72   0.11100  1.0 3.0
   46    51    53    54  -0.07800  1.0 1.0
   46    51    53    54  -0.21500 -1.0 2.0
   46    51    53    54  -0.03150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    70   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    55    56   0.15000  1.0 3.0
   51    52    55    57   0.15000  1.0 3.0
   51    52    55    65  -0.95700  1.0 1.0
   51    52    55    65  -0.18200 -1.0 2.0
   51    52    55    65   0.29450  1.0 3.0
   51    52   -58    71   0.62750  1.0 1.0
   51    52   -58    71  -0.30950 -1.0 2.0
   51    52   -58    71   0.27300  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    70   -71    58   0.06250  1.0 1.0
   51    70   -71    58  -0.01100 -1.0 2.0
   51    70   -71    58   0.28050  1.0 3.0
   51    70    72    73   0.15000  1.0 3.0
   51    70    72    74   0.15000  1.0 3.0
   51    70    72    75   0.15000  1.0 3.0
   52    51    70    67   0.56750  1.0 1.0
   52    51    70    67  -0.07550 -1.0 2.0
   52    51    70    67   0.20000  1.0 3.0
   52    51   -70    71   0.62750  1.0 1.0
   52    51   -70    71  -0.30950 -1.0 2.0
   52    51   -70    71   0.27300  1.0 3.0
   52    51    70    72   0.56750  1.0 1.0
   52    51    70    72  -0.07550 -1.0 2.0
   52    51    70    72   0.20000  1.0 3.0
   52    51    53    54  -0.11600  1.0 1.0
   52    51    53    54  -0.09450 -1.0 2.0
   52    51    53    54   0.21250  1.0 3.0
   52    55    65    66   0.30150 -1.0 2.0
   52    55   -65    67   0.60050  1.0 1.0
   52    55   -65    67   0.05600 -1.0 2.0
   52    55   -65    67   0.26150  1.0 3.0
   55    52    58    71   0.62750  1.0 1.0
   55    52    58    71  -0.30950 -1.0 2.0
   55    52    58    71   0.27300  1.0 3.0
   55    52    58    59   0.15000  1.0 3.0
   55    52    58    60   0.15000  1.0 3.0
   55    52    61    62   0.15000  1.0 3.0
   55    52    61    63   0.15000  1.0 3.0
   55    52    61    64   0.15000  1.0 3.0
   55    65    67    68   0.00000  1.0 1.0
   55    65    67    69   0.00000  1.0 1.0
   55    65    67    70   0.60050  1.0 1.0
   55    65    67    70   0.05600 -1.0 2.0
   55    65    67    70   0.26150  1.0 3.0
   56    55    65    66   0.00000  1.0 1.0
   56    55    65    67   0.00000  1.0 1.0
   57    55    65    66   0.00000  1.0 1.0
   57    55    65    67   0.00000  1.0 1.0
   65    67   -70    51  -0.95700  1.0 1.0
   65    67   -70    51  -0.18200 -1.0 2.0
   65    67   -70    51   0.29450  1.0 3.0
   65    67    70    71  -0.09450  1.0 1.0
   65    67    70    71  -1.12950 -1.0 2.0
   65    67    70    71   0.54000  1.0 3.0
   65    67    70    72  -0.95700  1.0 1.0
   65    67    70    72  -0.18200 -1.0 2.0
   65    67    70    72   0.29450  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    71    58   0.06250  1.0 1.0
   67    70    71    58  -0.01100 -1.0 2.0
   67    70    71    58   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   68    67    70    51   0.15000  1.0 3.0
   68    67    70    71   0.23400  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   69    67    70    51   0.15000  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   70    51   -52    55   0.56750  1.0 1.0
   70    51   -52    55  -0.07550 -1.0 2.0
   70    51   -52    55   0.20000  1.0 3.0
   70    51   -52    58   0.56750  1.0 1.0
   70    51   -52    58  -0.07550 -1.0 2.0
   70    51   -52    58   0.20000  1.0 3.0
   70    51    52    61   0.56750  1.0 1.0
   70    51    52    61  -0.07550 -1.0 2.0
   70    51    52    61   0.20000  1.0 3.0
   70    51    53    54  -0.11600  1.0 1.0
   70    51    53    54  -0.09450 -1.0 2.0
   70    51    53    54   0.21250  1.0 3.0
   70    71   -58    52   0.06250  1.0 1.0
   70    71   -58    52  -0.01100 -1.0 2.0
   70    71   -58    52   0.28050  1.0 3.0
   70    71    58    59   0.37050  1.0 3.0
   70    71    58    60   0.37050  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    65  -0.95700  1.0 1.0
   58    52    55    65  -0.18200 -1.0 2.0
   58    52    55    65   0.29450  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    63   0.15000  1.0 3.0
   58    52    61    64   0.15000  1.0 3.0
   72    70    71    58   0.06250  1.0 1.0
   72    70    71    58  -0.01100 -1.0 2.0
   72    70    71    58   0.28050  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    65  -0.95700  1.0 1.0
   61    52    55    65  -0.18200 -1.0 2.0
   61    52    55    65   0.29450  1.0 3.0
   61    52    58    71   0.62750  1.0 1.0
   61    52    58    71  -0.30950 -1.0 2.0
   61    52    58    71   0.27300  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   53    51    52    55   0.86500  1.0 1.0
   53    51    52    55  -0.17500 -1.0 2.0
   53    51    52    55   0.20800  1.0 3.0
   53    51    52    58   0.86500  1.0 1.0
   53    51    52    58  -0.17500 -1.0 2.0
   53    51    52    58   0.20800  1.0 3.0
   53    51    52    61   0.86500  1.0 1.0
   53    51    52    61  -0.17500 -1.0 2.0
   53    51    52    61   0.20800  1.0 3.0
   53    51    70    67   0.86500  1.0 1.0
   53    51    70    67  -0.17500 -1.0 2.0
   53    51    70    67   0.20800  1.0 3.0
   53    51    70    71   3.69350  1.0 1.0
   53    51    70    71  -1.82950 -1.0 2.0
   53    51    70    72   0.86500  1.0 1.0
   53    51    70    72  -0.17500 -1.0 2.0
   53    51    70    72   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   55    67    65    66  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
