* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    218     417
    1     0 S   NP   _N1_     1    28.10200    94.98465   -23.61009
    2     1 S   H    _HN1     2     1.02776   103.69056  -111.67532
    3     1 S   H    _H1_     3     1.02957    87.72144    -3.35205
    4     1 S   H    _H2_     4     1.02835    22.90056   144.67495
    5     1 S   CT   _CA1     5     1.50127   130.78762   111.87251
    6     5 S   HC   _HA1     6     1.09574   105.22250    72.20878
    7     5 S   CO3  _C1_     7     1.53793   112.36115   -47.99885
    8     7 S   O2Z  _O11     8     1.26366   114.99821   -43.93113
    9     7 S   O2Z  _O12     9     1.26235   114.93460   135.18891
   10     5 S   CT   _CB1    10     1.53098   107.42367  -169.86876
   11    10 S   HC   HB11    11     1.09826   109.35690   -50.44023
   12    10 S   HC   HB12    12     1.09816   110.41656    66.12363
   13    10 S   CT   _CG1    13     1.53012   112.65908  -171.50900
   14    13 S   HC   HG11    14     1.09595   110.48225   -63.96106
   15    13 S   HC   HG12    15     1.09655   109.93002    55.23708
   16    13 S   C    _CD1    16     1.51838   112.32770   175.62400
   17    16 S   O    _OE1    17     1.22744   123.28559    -0.18023
   18    16 S   N    _N2_    18     1.38545   111.68275   179.74131
   19    18 S   H    _HN2    19     1.01559   119.02288     4.76765
   20    18 S   CT1  _CA2    20     1.45898   122.95867   178.10710
   21    20 S   HC   _HA2    21     1.09695   108.96204    22.18865
   22    20 S   C    _C2_    22     1.52803   106.56321   -95.06487
   23    22 S   O    _O2_    23     1.23010   122.79500   -32.93866
   24    20 S   CT   _CB2    32     1.53404   112.22338   145.41856
   25    24 S   HC   HB21    33     1.09430   109.18472    53.10608
   26    24 S   HC   HB22    34     1.09212   109.85191   170.82680
   27    22 S   N    _N3_    24     1.38447   112.76168   149.60560
   28    27 S   H    _HN3    25     1.01662   120.42446    -0.51510
   29    24 S   S    _SG2    35     1.83245   110.27576   -65.99062
   30    27 S   CT   _CA3    26     1.45369   122.39068   178.87517
   31    30 S   HC   HA31    27     1.09560   107.33136   -67.56353
   32    30 S   HC   HA32    28     1.09573   108.10274    48.76797
   33    29 S   CT   _C14    36     1.89192   104.41417  -146.52282
   34    30 S   CO3  _C3_    29     1.52879   114.47357   170.93074
   35    34 S   O2Z  _O31    30     1.26308   116.13287    -0.12511
   36    34 S   O2Z  _O32    31     1.26470   114.36431  -180.00000
   37    33 S   CM   _C4_    37     1.55768   110.52248    49.96937
   38    33 S   CT   _C10    54     1.57410   104.99015   163.90240
   39    38 S   HC   _H25    55     1.09824   110.23779   -54.28962
   40    38 S   HC   _H26    56     1.09828   108.54404  -168.96802
   41    37 S   CMA  _C5_    38     1.36329   123.46254  -139.62408
   42    41 S   OM   _O16    39     1.26486   130.22837   178.71808
   43    37 S   CT   _C16    71     1.52710   117.59617    43.54706
   44    43 S   HC   _H31    72     1.09277   111.28272   -80.04069
   45    43 S   HC   _H32    73     1.09527   112.72111   159.92896
   46    43 S   HC   _H33    74     1.09277   111.76162    41.37261
   47    41 S   CT   _C8_    40     1.52545   120.53863    -2.75122
   48    47 S   HC   _H21    41     1.09939   109.38117   109.05407
   49    47 S   HC   _H22    42     1.10108   110.60963  -134.71901
   50    47 S   CT   _C9_    43     1.52702   114.78904   -14.27117
   51    50 S   HC   _H23    44     1.09778   108.93266   170.05298
   52    50 S   HC   _H24    45     1.09384   107.59098   -75.78799
   53    33 S   CT   _C15    46     1.58564   112.01869   -77.69163
   54    53 S   CT   _C11    47     1.56084   112.24698   -69.78608
   55    54 S   HC   _H27    48     1.09855   108.75565  -172.18606
   56    54 S   HC   _H28    49     1.09830   108.97052    72.56399
   57    53 S   CT   _C18    67     1.55342   114.62613    50.27722
   58    57 S   HC   _H37    68     1.09424   111.91441   -74.88414
   59    57 S   HC   _H38    69     1.09724   110.71757   167.31295
   60    57 S   HC   _H39    70     1.09329   112.74781    47.37173
   61    54 S   CT   _C13    50     1.53010   116.51551   -48.94820
   62    61 S   HC   _H30    51     1.09628   108.00971   172.60705
   63    61 S   CT   _C12    52     1.53563   111.29231    51.88500
   64    63 S   HC   _H29    53     1.09800   107.39052    63.26089
   65    61 S   OH   _O17    65     1.42412   110.52219   -71.21740
   66    65 S   HO   _H40    66     0.97216   107.67984   -57.01632
   67    63 S   CM   _C7_    57     1.53325   111.63117   177.91785
   68    67 S   CM   _C6_    58     1.34385   124.83471   109.47675
   69    68 S   HC   _H19    59     1.08556   121.19203   179.31786
   70    68 S   HC   _H20    60     1.08338   122.59673    -1.28618
   71    67 S   CT   _C17    61     1.50808   115.62901   -71.98624
   72    71 S   HC   _H34    62     1.09490   110.33481   -54.98203
   73    71 S   HC   _H35    63     1.09396   110.78043    65.37613
   74    71 S   HC   _H36    64     1.09546   112.19876  -174.60929
  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
  26   2   1   1  17  16   6   5  12   5   5   2   1   1   8   5
   4  11   4   3  11  13   6   5   4   2   1   1   8   5  11   4
   2   1   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    50    53    54    63    38    39    40    57    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    50    51    52    53    54    55    56    61    63    64    38    39    40    67    57    58    59    60    43    44    45    46  
   35    36  
   36  
    0  
   41    42    47    48    49    50    53    54    63    38    39    40    57    43    44    45    46  
   39    40    67    68    71    65    57    43    41    50    53    54    61    62    63    64  
   40    67    53    61    63    64  
   67    53    61    63    64  
   42    47    48    49    50    51    52    53    43    44    45    46  
   47    48    49    50    43  
   44    45    46    47    53  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    57    58    59    60  
   52    53    54    57  
   53    54    57  
   54    55    56    61    62    63    65    57    58    59    60  
   55    56    61    62    63    64    67    65    66    57    58    59    60  
   56    61    62    63    65    57  
   61    62    63    65    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    67    68    71    65    66  
   63    64    67    65    66  
   64    67    68    69    70    71    72    73    74    65    66  
   67    68    71    65  
   66    67  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    38   268.000  1.529
   63    67   317.000  1.510
   38    39   340.000  1.090
   38    40   340.000  1.090
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    38    63    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    47    65.00000  122.18000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    58.35000  112.70000
   54    61    65    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    38    58.35000  112.70000
   61    63    67    70.00000  112.02700
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    38    39    37.50000  110.70000
   63    38    40    37.50000  110.70000
   63    67    68    70.00000  124.00000
   63    67    71    65.00000  117.92700
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   38    63    64    37.50000  110.70000
   40    38    39    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    38    70.00000  112.02700
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   57    53    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   29    33    38    63   0.44750  1.0 1.0
   29    33    38    63  -0.17800 -1.0 2.0
   29    33    38    63   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    56   0.15000  1.0 3.0
   33    53    54    61   0.56750  1.0 1.0
   33    53    54    61  -0.07550 -1.0 2.0
   33    53    54    61   0.20000  1.0 3.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    60   0.15000  1.0 3.0
   37    33    53    50   0.34400  1.0 1.0
   37    33    53    50   0.09450 -1.0 2.0
   37    33    53    50   0.11100  1.0 3.0
   37    33    53    54   0.34400  1.0 1.0
   37    33    53    54   0.09450 -1.0 2.0
   37    33    53    54   0.11100  1.0 3.0
   37    33    53    57   0.34400  1.0 1.0
   37    33    53    57   0.09450 -1.0 2.0
   37    33    53    57   0.11100  1.0 3.0
   37    33    38    63   0.34400  1.0 1.0
   37    33    38    63   0.09450 -1.0 2.0
   37    33    38    63   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41   -47    50   0.09850  1.0 1.0
   37    41   -47    50   0.15250 -1.0 2.0
   37    41   -47    50  -0.50650  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    47    50    51   0.15000  1.0 3.0
   41    47    50    52   0.15000  1.0 3.0
   41    47    50    53   0.34400  1.0 1.0
   41    47    50    53   0.09450 -1.0 2.0
   41    47    50    53   0.11100  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50   -53    33   0.56750  1.0 1.0
   47    50   -53    33  -0.07550 -1.0 2.0
   47    50   -53    33   0.20000  1.0 3.0
   47    50    53    54   0.56750  1.0 1.0
   47    50    53    54  -0.07550 -1.0 2.0
   47    50    53    54   0.20000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   0.15000  1.0 3.0
   50    53    54    56   0.15000  1.0 3.0
   50    53    54    61   0.56750  1.0 1.0
   50    53    54    61  -0.07550 -1.0 2.0
   50    53    54    61   0.20000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   51    50    53    33   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    33   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    57   0.15000  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    37    43   0.46850  1.0 1.0
   53    33    37    43   0.08550 -1.0 2.0
   53    33    37    43   0.09800  1.0 3.0
   53    33    38    63   0.56750  1.0 1.0
   53    33    38    63  -0.07550 -1.0 2.0
   53    33    38    63   0.20000  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54   -61    63   0.56750  1.0 1.0
   53    54   -61    63  -0.07550 -1.0 2.0
   53    54   -61    63   0.20000  1.0 3.0
   53    54    61    65   0.86500  1.0 1.0
   53    54    61    65  -0.17500 -1.0 2.0
   53    54    61    65   0.20800  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    63    64   0.15000  1.0 3.0
   54    61    63    38   0.56750  1.0 1.0
   54    61    63    38  -0.07550 -1.0 2.0
   54    61    63    38   0.20000  1.0 3.0
   54    61    63    67   0.34400  1.0 1.0
   54    61    63    67   0.09450 -1.0 2.0
   54    61    63    67   0.11100  1.0 3.0
   54    61    65    66  -0.11600  1.0 1.0
   54    61    65    66  -0.09450 -1.0 2.0
   54    61    65    66   0.21250  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    65   0.23400  1.0 3.0
   61    63   -38    33   0.56750  1.0 1.0
   61    63   -38    33  -0.07550 -1.0 2.0
   61    63   -38    33   0.20000  1.0 3.0
   61    63    38    39   0.15000  1.0 3.0
   61    63    38    40   0.15000  1.0 3.0
   61    63    67    68   0.09850  1.0 1.0
   61    63    67    68   0.15250 -1.0 2.0
   61    63    67    68  -0.50650  1.0 3.0
   61    63    67    71   0.46850  1.0 1.0
   61    63    67    71   0.08550 -1.0 2.0
   61    63    67    71   0.09800  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    38   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    68    69   7.00000 -1.0 2.0
   63    67    68    70   7.00000 -1.0 2.0
   63    67    71    72   0.34800  1.0 3.0
   63    67    71    73   0.34800  1.0 3.0
   63    67    71    74   0.34800  1.0 3.0
   64    63    38    33   0.15000  1.0 3.0
   64    63    38    39   0.15000  1.0 3.0
   64    63    38    40   0.15000  1.0 3.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    71   0.34800  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    53    50   0.56750  1.0 1.0
   38    33    53    50  -0.07550 -1.0 2.0
   38    33    53    50   0.20000  1.0 3.0
   38    33   -53    54   0.56750  1.0 1.0
   38    33   -53    54  -0.07550 -1.0 2.0
   38    33   -53    54   0.20000  1.0 3.0
   38    33    53    57   0.56750  1.0 1.0
   38    33    53    57  -0.07550 -1.0 2.0
   38    33    53    57   0.20000  1.0 3.0
   38    63    67    68   0.09850  1.0 1.0
   38    63    67    68   0.15250 -1.0 2.0
   38    63    67    68  -0.50650  1.0 3.0
   38    63    67    71   0.46850  1.0 1.0
   38    63    67    71   0.08550 -1.0 2.0
   38    63    67    71   0.09800  1.0 3.0
   67    63    38    33   0.34400  1.0 1.0
   67    63    38    33   0.09450 -1.0 2.0
   67    63    38    33   0.11100  1.0 3.0
   67    63    38    39   0.15000  1.0 3.0
   67    63    38    40   0.15000  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    38   0.86500  1.0 1.0
   65    61    63    38  -0.17500 -1.0 2.0
   65    61    63    38   0.20800  1.0 3.0
   65    61    63    67   1.05650  1.0 1.0
   65    61    63    67   0.15600 -1.0 2.0
   65    61    63    67   0.53150  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    47   7.00000 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   63    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
