* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    131    201     374
    1     0 S   NP   _N1_     1    31.81611   101.19230   -20.74268
    2     1 S   H    _HN1     2     1.02718    71.41126  -121.70816
    3     1 S   H    _H1_     3     1.02822    77.51277   124.51117
    4     1 S   H    _H2_     4     1.03454   174.66524   -44.16709
    5     1 S   CT   _CA1     5     1.50578    64.34819     4.62698
    6     5 S   HC   _HA1     6     1.09525   104.26571   123.88086
    7     5 S   CO3  _C1_     7     1.54398   112.08999     8.12272
    8     7 S   O2Z  _O11     8     1.26126   116.59516  -139.99863
    9     7 S   O2Z  _O12     9     1.26637   114.22294    39.71820
   10     5 S   CT   _CB1    10     1.53155   106.78257  -119.44549
   11    10 S   HC   HB11    11     1.09566   109.64731   -34.31462
   12    10 S   HC   HB12    12     1.09798   110.14004    81.08456
   13    10 S   CT   _CG1    13     1.53340   113.00945  -156.97761
   14    13 S   HC   HG11    14     1.09541   110.79591   -97.94158
   15    13 S   HC   HG12    15     1.09607   111.81977    21.49423
   16    13 S   C    _CD1    16     1.51537   110.01065   141.84906
   17    16 S   O    _OE1    17     1.22806   122.13604   101.30053
   18    16 S   N    _N2_    18     1.38379   112.39285   -76.58372
   19    18 S   H    _HN2    19     1.02016   118.97319    -3.26878
   20    18 S   CT1  _CA2    20     1.45802   123.41507   174.37217
   21    20 S   HC   _HA2    21     1.09677   108.58335    31.04450
   22    20 S   C    _C2_    22     1.53175   108.59735   -85.74219
   23    22 S   O    _O2_    23     1.23138   121.04602   150.07547
   24    20 S   CT   _CB2    32     1.53336   112.14910   154.39679
   25    24 S   HC   HB21    33     1.09307   110.08824    64.21707
   26    24 S   HC   HB22    34     1.09575   109.61096  -178.46010
   27    22 S   N    _N3_    24     1.38445   114.42983   -37.49746
   28    27 S   H    _HN3    25     1.01725   119.27312     0.73887
   29    24 S   S    _SG2    35     1.82788   111.31037   -59.08557
   30    27 S   CT   _CA3    26     1.45288   123.18737  -177.16593
   31    30 S   HC   HA31    27     1.09566   108.37295   -40.34325
   32    30 S   HC   HA32    28     1.09545   107.08601    76.00789
   33    29 S   CT   _C9_    36     1.83875   102.30712   147.23756
   34    30 S   CO3  _C3_    29     1.53017   114.65466  -162.90933
   35    34 S   O2Z  _O31    30     1.26358   116.49381    -3.97192
   36    34 S   O2Z  _O32    31     1.26503   114.30272   175.80651
   37    33 S   CM   _C10    37     1.52532   114.48622   -60.37744
   38    33 S   SZ   _S1_    60     1.87391   111.26250   177.38746
   39    38 S   OZ   _O36    61     1.50040   109.29251    52.50931
   40    37 S   N4   _N4_    38     1.36926   108.62565   142.32016
   41    37 S   CMA  _C11    57     1.51341   126.27266   -29.03759
   42    41 S   OM   _O33    58     1.26135   120.51716   -69.62069
   43    41 S   OM   _O34    59     1.26307   121.41772   110.49547
   44    38 S   CM   _C13    62     1.79157   100.27750   -58.28294
   45    44 S   HC   _H9_    63     1.08488   122.43763   -15.27241
   46    40 S   C4   _C12    39     1.35343   131.97373  -125.53339
   47    46 S   O    _O35    40     1.21238   135.61356   -46.77562
   48    40 S   C4T  _C7_    42     1.45032   113.09648    -1.83163
   49    48 S   HC   _H3_    43     1.09703   112.00218   104.06130
   50    44 S   CM   _C14    64     1.33950   117.89970   165.69907
   51    50 S   HC   _H10    65     1.08601   121.98373    -0.42475
   52    46 S   C4M  _C6_    41     1.47630    89.77778   128.13495
   53    33 S   CT   _C8_    44     1.56332   112.75554    54.39100
   54    53 S   HC   _H7_    45     1.09382   114.15495    86.01859
   55    53 S   HC   _H8_    46     1.09599   112.27726   -35.66589
   56    50 S   N    _N5_    66     1.37300   122.07851   179.65170
   57    56 S   H    _H11    67     1.01642   117.60446     0.34943
   58    52 S   CM   _C5_    47     1.34151   135.16360  -178.17640
   59    56 S   C    _C15    68     1.38720   123.53778  -179.76510
   60    59 S   O    _O37    69     1.22819   126.10421     0.69492
   61    58 S   CT   _C4_    48     1.50574   123.29586    -0.47970
   62    61 S   HC   _H4_    49     1.09473   110.45786   118.38875
   63    61 S   HC   _H5_    50     1.09334   112.63183    -1.84896
   64    61 S   HC   _H6_    51     1.09500   110.17733  -121.83015
   65    58 S   CT   _C17    52     1.50752   121.87427  -179.78330
   66    65 S   HC   _H15    53     1.09479   111.96133     4.67843
   67    65 S   HC   _H16    54     1.09514   110.25514   125.06365
   68    59 S   CT   _C16    70     1.50574   112.07804  -179.96044
   69    68 S   HC   _H12    71     1.09376   110.13036    52.81398
   70    68 S   HC   _H13    72     1.09350   109.58816   -67.71869
   71    68 S   HC   _H14    73     1.09351   109.71818   172.47384
   72    65 S   OH   _O38    55     1.42080   109.43418  -115.16409
   73    72 S   HO   _H17    56     0.97219   107.03975  -178.65390
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  15  12   4  12   5   1   1   7   3   8   3   8
   5   6   3  12   3   1   1   7   3   9   5   4   7   3   2   1
   4   3   2   3   2   1   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    53    54    55    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    52    48    49    53    54    55    41    42    43    38    39    44    45    50  
   35    36  
   36  
    0  
   40    46    47    52    48    49    53    54    55    41    42    43    38    39    44  
   39    44    45    50    51    56    40    41    48    53    54    55  
   44    45    50    53  
   46    47    52    48    49    53    54    55    58    41    42    43  
   42    43    46    48    53  
   43  
    0  
   45    50    51    56    57    59    53  
   50    51    56  
   47    52    48    49    53    58    61    65  
   52    48    58  
   49    53    54    55    58    61    65    52  
   53    54    55    58    52  
   51    56    57    59    60    68  
   56    57    59  
   53    54    55    58    61    62    63    64    65    66    67    72  
   54    55    58  
   55  
    0  
   57    59    60    68    69    70    71  
   59    60    68  
   61    62    63    64    65    66    67    72    73  
   60    68    69    70    71  
   68    69    70    71  
   62    63    64    65    66    67    72  
   63    64    65  
   64    65  
   65  
   66    67    72    73  
   67    72    73  
   72    73  
   69    70    71  
   70    71  
   71  
    0  
   73  
    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   0.312500   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   39   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.038800   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.035100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   340.000  1.853
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    52   410.000  1.444
   52    48   275.000  1.517
   52    58   545.000  1.340
   48    49   340.000  1.090
   48    53   260.000  1.519
   53    54   340.000  1.090
   53    55   340.000  1.090
   58    61   317.000  1.510
   58    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   320.000  1.410
   72    73   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   700.000  1.530
   38    44   205.000  1.810
   44    45   340.000  1.080
   44    50   549.000  1.340
   50    51   340.000  1.080
   50    56   400.000  1.384
   56    57   434.000  1.010
   56    59   490.000  1.335
   59    60   570.000  1.229
   59    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    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    53    75.00000  111.63000
   29    33    38    75.00000  118.00000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    53    48    70.00000  112.98000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    74.00000  107.00000
   33    38    44   100.00000   93.60000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    46    47    75.00000  131.60000
   40    46    52   100.00000   92.00000
   40    48    52    80.00000   90.00000
   40    48    49    50.00000  112.01000
   40    48    53    80.00000  110.05700
   46    52    48    85.00000   95.00000
   46    52    58    70.00000  118.70000
   52    46    47    80.00000  125.30000
   52    48    49    40.00000  115.44000
   52    48    53    70.00000  112.02700
   52    58    61    70.00000  124.00000
   52    58    65    70.00000  124.00000
   48    40    46   100.00000   93.00000
   48    53    54    45.00000  111.22300
   48    53    55    45.00000  111.22300
   53    33    37    70.00000  112.02700
   53    48    49    45.00000  112.72800
   55    53    54    33.00000  107.80000
   58    52    48    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    72    90.00000  110.39200
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    58    61    65.00000  117.92700
   65    72    73    55.00000  108.50000
   67    65    66    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    67    35.00000  109.50000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  113.14000
   38    33    53    75.00000  107.60000
   38    44    45    40.00000  114.00000
   38    44    50    65.00000  118.19300
   44    38    39   100.00000  107.42000
   44    50    51    35.00000  120.00000
   44    50    56    75.00000  120.83300
   50    44    45    35.00000  120.00000
   50    56    57    45.00000  117.55000
   50    56    59    70.00000  120.89900
   56    50    51    45.00000  111.09300
   56    59    60    80.00000  122.90000
   56    59    68    70.00000  116.60000
   59    56    57    35.00000  119.80000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   68    59    60    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.00000  1.0 1.0
   33    37    40    46   0.00000  1.0 1.0
   33    37   -40    48   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   1.00000 -1.0 2.0
   33    38    44    50   1.00000 -1.0 2.0
   37    33   -53    48   0.34400  1.0 1.0
   37    33   -53    48   0.09450 -1.0 2.0
   37    33   -53    48   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44   0.00000  1.0 1.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    52   3.00000 -1.0 2.0
   37    40   -48    52   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    53   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    46   -52    48   0.00000  1.0 1.0
   40    46    52    58   0.49500  1.0 1.0
   40    46    52    58   1.31600 -1.0 2.0
   40    46    52    58  -0.02300  1.0 3.0
   40    48   -53    33   0.43900  1.0 1.0
   40    48   -53    33   0.49100 -1.0 2.0
   40    48   -53    33   0.28400  1.0 3.0
   40    48    53    54   0.15000  1.0 3.0
   40    48    53    55   0.15000  1.0 3.0
   46    40   -48    52   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    53   0.00000  1.0 1.0
   46    52   -48    40   0.00000  1.0 1.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    53   0.09700  1.0 1.0
   46    52   -48    53   0.15600 -1.0 2.0
   46    52   -48    53  -0.50800  1.0 3.0
   46    52    58    61   7.00000 -1.0 2.0
   46    52    58    65   7.00000 -1.0 2.0
   47    46    52    48  -0.64400  1.0 1.0
   47    46    52    48   0.26850 -1.0 2.0
   47    46    52    58   1.00000 -1.0 2.0
   52    48    53    33   0.34400  1.0 1.0
   52    48    53    33   0.09450 -1.0 2.0
   52    48    53    33   0.11100  1.0 3.0
   52    48    53    54   0.15000  1.0 3.0
   52    48    53    55   0.15000  1.0 3.0
   52    58    61    62   0.00000  1.0 1.0
   52    58    61    63   0.00000  1.0 1.0
   52    58    61    64   0.00000  1.0 1.0
   52    58    65    66   0.00000  1.0 1.0
   52    58    65    67   0.00000  1.0 1.0
   52    58    65    72   0.67800  1.0 1.0
   52    58    65    72   0.47050 -1.0 2.0
   52    58    65    72  -0.62500  1.0 3.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    52   0.00000  1.0 1.0
   48    52    58    61   7.00000 -1.0 2.0
   48    52    58    65   7.00000 -1.0 2.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   53    33   -37    40  -0.93550  1.0 1.0
   53    33   -37    40   0.38900 -1.0 2.0
   53    33   -37    40   0.16950  1.0 3.0
   53    33    37    41   0.09850  1.0 1.0
   53    33    37    41   0.15250 -1.0 2.0
   53    33    37    41  -0.50650  1.0 3.0
   53    33    38    39   0.00000  1.0 1.0
   53    33    38    44   0.00000  1.0 1.0
   58    52   -48    40   0.62150  1.0 1.0
   58    52   -48    40   0.42850 -1.0 2.0
   58    52   -48    40  -0.68200  1.0 3.0
   58    52    48    49   0.00000  1.0 1.0
   58    52    48    53   0.09850  1.0 1.0
   58    52    48    53   0.15250 -1.0 2.0
   58    52    48    53  -0.50650  1.0 3.0
   58    65    72    73  -0.07800  1.0 1.0
   58    65    72    73  -0.21500 -1.0 2.0
   58    65    72    73  -0.03150  1.0 3.0
   61    58    65    66   0.34800  1.0 3.0
   61    58    65    67   0.34800  1.0 3.0
   61    58    65    72   0.18000  1.0 1.0
   61    58    65    72   0.16450 -1.0 2.0
   61    58    65    72   0.04450  1.0 3.0
   65    58    61    62   0.34800  1.0 3.0
   65    58    61    63   0.34800  1.0 3.0
   65    58    61    64   0.34800  1.0 3.0
   66    65    72    73   0.19450  1.0 3.0
   67    65    72    73   0.19450  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    53    48   0.56750  1.0 1.0
   38    33    53    48  -0.07550 -1.0 2.0
   38    33    53    48   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    44    50    51   7.00000 -1.0 2.0
   38    44    50    56   7.00000 -1.0 2.0
   39    38    44    45   1.00000 -1.0 2.0
   39    38    44    50   1.00000 -1.0 2.0
   44    50    56    57   0.78350 -1.0 2.0
   44    50    56    59  -0.18900  1.0 1.0
   44    50    56    59   1.70900 -1.0 2.0
   45    44    50    51   7.00000 -1.0 2.0
   45    44    50    56   7.00000 -1.0 2.0
   50    56    59    60   2.67200 -1.0 2.0
   50    56    59    68   0.67100  1.0 1.0
   50    56    59    68   1.42150 -1.0 2.0
   50    56    59    68   0.18700  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    59   1.44600  1.0 1.0
   56    59    68    69   0.00000  1.0 1.0
   56    59    68    70   0.00000  1.0 1.0
   56    59    68    71   0.00000  1.0 1.0
   57    56    59    60   2.45000 -1.0 2.0
   57    56    59    68   2.45000 -1.0 2.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   60    59    68    71   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    40    37    41   1.10000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   46    48    52    58   1.10000 -1.0 2.0
   61    65    58    52   1.10000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   38    45    44    50  15.00000 -1.0 2.0
   56    51    50    44  15.00000 -1.0 2.0
   57    59    56    50   1.00000 -1.0 2.0
   56    68    59    60  10.50000 -1.0 2.0
END
