* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    220     418
    1     0 S   NP   _N1_     1    28.73228    95.80493   -23.23192
    2     1 S   H    _HN1     2     1.02828    34.62113   161.37388
    3     1 S   H    _H1_     3     1.02788   103.88586   -97.14298
    4     1 S   H    _H2_     4     1.02949    76.19704     8.73570
    5     1 S   CT   _CA1     5     1.50120   138.00088   114.00759
    6     5 S   HC   _HA1     6     1.09572   105.18497    85.81404
    7     5 S   CO3  _C1_     7     1.53788   112.48484   -34.41905
    8     7 S   O2Z  _O11     8     1.26375   115.00493   -41.87731
    9     7 S   O2Z  _O12     9     1.26240   114.95326   137.23107
   10     5 S   CT   _CB1    10     1.53075   107.41518  -156.18511
   11    10 S   HC   HB11    11     1.09835   109.37271   -49.42198
   12    10 S   HC   HB12    12     1.09812   110.44814    67.19008
   13    10 S   CT   _CG1    13     1.52992   112.61308  -170.37733
   14    13 S   HC   HG11    14     1.09579   110.66614   -66.05259
   15    13 S   HC   HG12    15     1.09671   109.76006    53.18663
   16    13 S   C    _CD1    16     1.51798   112.17355   173.66086
   17    16 S   O    _OE1    17     1.22735   123.27201     8.49137
   18    16 S   N    _N2_    18     1.38637   111.70238  -171.59805
   19    18 S   H    _HN2    19     1.01584   118.95182     1.59594
   20    18 S   CT1  _CA2    20     1.46225   123.43014   177.54888
   21    20 S   HC   _HA2    21     1.09736   109.38484     5.44143
   22    20 S   C    _C2_    22     1.53603   108.64919  -110.14009
   23    22 S   O    _O2_    23     1.23071   122.26755  -147.39357
   24    20 S   CT   _CB2    32     1.53492   111.49997   127.51499
   25    24 S   HC   HB21    33     1.09355   109.26163    56.89741
   26    24 S   HC   HB22    34     1.09334   109.59866   175.67736
   27    22 S   N    _N3_    24     1.38321   113.77331    40.01395
   28    27 S   H    _HN3    25     1.01566   119.62264    -3.09939
   29    24 S   S    _SG2    35     1.82876   111.04862   -64.60314
   30    27 S   CT   _CA3    26     1.45282   123.22291   177.23360
   31    30 S   HC   HA31    27     1.09549   107.50212   -65.00126
   32    30 S   HC   HA32    28     1.09557   108.00020    51.44389
   33    29 S   CT   _C12    36     1.91090   102.14196   173.34038
   34    30 S   CO3  _C3_    29     1.52964   114.07547   173.46043
   35    34 S   O2Z  _O31    30     1.26376   116.08461    -0.26761
   36    34 S   O2Z  _O32    31     1.26430   114.40675   179.78786
   37    33 S   CO4  _C11    37     1.54991   104.51470  -172.66230
   38    37 S   O    _O33    38     1.23302   123.68831   -32.91867
   39    33 S   CT   _C13    53     1.56801   110.49455   -57.48373
   40    39 S   HC   _H5_    54     1.09344   109.58803    73.02597
   41    33 S   CM   _C16    67     1.54785   105.58810    71.56646
   42    37 S   CM   _C10    39     1.48172   119.28687   151.14116
   43    42 S   HC   _H13    40     1.08613   115.47802   169.27514
   44    39 S   OH   _O34    55     1.44130   109.01276   -40.69247
   45    44 S   HO   _H17    56     0.97202   108.53302   -62.45095
   46    41 S   CM   _C17    68     1.34784   122.45070   -95.54714
   47    46 S   HC   _H18    69     1.08508   122.10838   179.23408
   48    46 S   HC   _H19    70     1.08304   122.66970     0.49138
   49    41 S   CT   _C18    71     1.52339   117.35994    82.22260
   50    49 S   HC   _H20    72     1.09423   110.28894   -53.84547
   51    49 S   HC   _H21    73     1.09438   110.04723    66.88367
   52    42 S   CM   _C9_    41     1.34010   123.25715    -8.49849
   53    49 S   OH   _O35    74     1.42353   112.83455  -173.56035
   54    53 S   HO   _H22    75     0.97235   106.97304   178.75920
   55    52 S   CT   _C8_    42     1.51253   119.09208   175.32785
   56    55 S   HC   _H11    43     1.09683   109.09461  -108.79673
   57    55 S   HC   _H12    44     1.09697   111.35054     8.02986
   58    55 S   CT   _C7_    45     1.51910   111.78597   129.75149
   59    58 S   HC   _H9_    46     1.09702   109.85801   176.61366
   60    58 S   HC   _H10    47     1.09833   110.22446   -67.51937
   61    58 S   CT   _C6_    48     1.52574   111.56104    54.71448
   62    61 S   HC   _H4_    49     1.09545   110.30045    66.38494
   63    61 S   CT   _C5_    50     1.54641   111.07378   -56.65287
   64    63 S   HC   _H3_    51     1.09914   105.26436   -64.79715
   65    61 S   OH   _O36    65     1.42789   108.24156  -176.76802
   66    65 S   HO   _H23    66     0.97246   107.58870   -59.94692
   67    52 S   CT   _C14    52     1.52800   123.96963    -2.95473
   68    63 S   CT   _C4_    61     1.53919   109.91321  -178.21535
   69    68 S   HC   _H6_    62     1.09451   111.59131   -59.90156
   70    68 S   HC   _H7_    63     1.09330   111.80658   178.58667
   71    68 S   HC   _H8_    64     1.09542   110.83831    59.70897
   72    67 S   CT   _C15    57     1.54801   106.89527   106.53223
   73    72 S   HC   _H14    58     1.09475   111.51056  -169.08927
   74    72 S   HC   _H15    59     1.09475   112.33454    71.15151
   75    72 S   HC   _H16    60     1.09453   112.02078   -47.77556
  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
  20   2   1   1  12   5  18   7  11   9   3   5   1   6   2   1
   4   3   2  15   1   1  11   6   5  10   5   4  11   6  12   7
   3   1   8   4   2   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    67    39    40    44    41    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    63    67    39    40    44    45    72    41    46    47    48    49    50    51    53  
   35    36  
   36  
    0  
   38    42    43    52    55    67    39    40    44    41    46    49  
   42    43    52    39    41  
   40    44    45    72    73    74    75    68    41    46    49    42    52    55    61    63    64    67  
   44    45    72    41    52    63    67  
   46    47    48    49    50    51    53    54    42    44    67  
   43    52    55    56    57    58    63    67    72  
   52    55    67  
   45    72    52    63    67  
   67  
   47    48    49    50    51    53  
   48    49  
   49  
   50    51    53    54  
   51    53    54  
   53    54  
   55    56    57    58    59    60    61    63    64    67    72    73    74    75    68  
   54  
    0  
   56    57    58    59    60    61    62    63    67    72    65  
   57    58    59    60    61    67  
   58    59    60    61    67  
   59    60    61    62    63    64    67    68    65    66  
   60    61    62    63    65  
   61    62    63    65  
   62    63    64    67    72    68    69    70    71    65    66  
   63    64    67    68    65    66  
   64    67    72    73    74    75    68    69    70    71    65    66  
   67    72    68    69    70    71    65  
   66    67    68  
    0  
   72    73    74    75    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    0  
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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  1.522
   33    39   268.000  1.529
   33    41   317.000  1.510
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    43   340.000  1.080
   42    52   549.000  1.340
   52    55   317.000  1.510
   52    67   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    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    67   268.000  1.529
   63    68   268.000  1.529
   67    39   268.000  1.529
   67    72   268.000  1.529
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   41    46   549.000  1.340
   41    49   317.000  1.510
   46    47   340.000  1.080
   46    48   340.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   320.000  1.410
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    70.00000  124.00000
   33    41    49    65.00000  117.92700
   37    42    43    40.00000  117.72500
   37    42    52    65.00000  118.96000
   42    37    38    80.00000  123.72100
   42    52    55    70.00000  124.00000
   42    52    67    70.00000  124.00000
   52    42    43    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    70.00000  112.02700
   52    67    63    70.00000  112.02700
   52    67    39    70.00000  112.02700
   52    67    72    70.00000  112.02700
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    39    58.35000  112.70000
   63    67    72    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   67    52    55    65.00000  117.92700
   67    63    64    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    44    50.00000  109.50000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   72    67    39    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   41    33    37    70.00000  109.06800
   41    33    39    70.00000  112.02700
   41    46    47    35.00000  120.00000
   41    46    48    35.00000  120.00000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    90.00000  110.39200
   48    46    47    35.00000  117.00000
   49    41    46    70.00000  124.00000
   49    53    54    55.00000  108.50000
   51    49    50    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    41  -0.62250  1.0 1.0
   24    29    33    41  -0.38450 -1.0 2.0
   24    29    33    41   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.42700  1.0 1.0
   29    33    41    46  -0.70350 -1.0 2.0
   29    33    41    46  -0.43150  1.0 3.0
   29    33    41    49   0.30250  1.0 1.0
   29    33    41    49  -0.14950 -1.0 2.0
   29    33    41    49   0.36900  1.0 3.0
   33    37    42    43   0.04550  1.0 1.0
   33    37    42    43   0.83000 -1.0 2.0
   33    37    42    43  -0.04000  1.0 3.0
   33    37    42    52  -0.33500  1.0 1.0
   33    37    42    52   1.06600 -1.0 2.0
   33    37    42    52  -0.14000  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   7.00000 -1.0 2.0
   33    41    46    48   7.00000 -1.0 2.0
   33    41    49    50   0.34800  1.0 3.0
   33    41    49    51   0.34800  1.0 3.0
   33    41    49    53   0.18000  1.0 1.0
   33    41    49    53   0.16450 -1.0 2.0
   33    41    49    53   0.04450  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    46  -0.51250  1.0 1.0
   37    33    41    46  -0.88800 -1.0 2.0
   37    33    41    46   0.08850  1.0 3.0
   37    33    41    49   0.17250  1.0 1.0
   37    33    41    49  -0.04100 -1.0 2.0
   37    33    41    49  -0.33850  1.0 3.0
   37    42    52    55   7.00000 -1.0 2.0
   37    42   -52    67   7.00000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    52   1.00000 -1.0 2.0
   42    52    55    56   0.00000  1.0 1.0
   42    52    55    57   0.00000  1.0 1.0
   42    52    55    58   0.09850  1.0 1.0
   42    52    55    58   0.15250 -1.0 2.0
   42    52    55    58  -0.50650  1.0 3.0
   42    52    67    63   0.09850  1.0 1.0
   42    52    67    63   0.15250 -1.0 2.0
   42    52    67    63  -0.50650  1.0 3.0
   42    52    67    39   0.09850  1.0 1.0
   42    52    67    39   0.15250 -1.0 2.0
   42    52    67    39  -0.50650  1.0 3.0
   42    52    67    72   0.09850  1.0 1.0
   42    52    67    72   0.15250 -1.0 2.0
   42    52    67    72  -0.50650  1.0 3.0
   43    42    52    55   7.00000 -1.0 2.0
   43    42    52    67   7.00000 -1.0 2.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55    58    61   0.34400  1.0 1.0
   52    55    58    61   0.09450 -1.0 2.0
   52    55    58    61   0.11100  1.0 3.0
   52    67   -39    33   0.34400  1.0 1.0
   52    67   -39    33   0.09450 -1.0 2.0
   52    67   -39    33   0.11100  1.0 3.0
   52    67    39    40   0.15000  1.0 3.0
   52    67    39    44   1.05650  1.0 1.0
   52    67    39    44   0.15600 -1.0 2.0
   52    67    39    44   0.53150  1.0 3.0
   52    67    72    73   0.15000  1.0 3.0
   52    67    72    74   0.15000  1.0 3.0
   52    67    72    75   0.15000  1.0 3.0
   55    52    67    63   0.46850  1.0 1.0
   55    52    67    63   0.08550 -1.0 2.0
   55    52    67    63   0.09800  1.0 3.0
   55    52    67    39   0.46850  1.0 1.0
   55    52    67    39   0.08550 -1.0 2.0
   55    52    67    39   0.09800  1.0 3.0
   55    52    67    72   0.46850  1.0 1.0
   55    52    67    72   0.08550 -1.0 2.0
   55    52    67    72   0.09800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.56750  1.0 1.0
   55    58   -61    63  -0.07550 -1.0 2.0
   55    58   -61    63   0.20000  1.0 3.0
   55    58    61    65   0.86500  1.0 1.0
   55    58    61    65  -0.17500 -1.0 2.0
   55    58    61    65   0.20800  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61    63    68   0.56750  1.0 1.0
   58    61    63    68  -0.07550 -1.0 2.0
   58    61    63    68   0.20000  1.0 3.0
   58    61    65    66  -0.11600  1.0 1.0
   58    61    65    66  -0.09450 -1.0 2.0
   58    61    65    66   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    65   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    65   0.23400  1.0 3.0
   61    63   -67    52   0.34400  1.0 1.0
   61    63   -67    52   0.09450 -1.0 2.0
   61    63   -67    52   0.11100  1.0 3.0
   61    63    67    39   0.56750  1.0 1.0
   61    63    67    39  -0.07550 -1.0 2.0
   61    63    67    39   0.20000  1.0 3.0
   61    63    67    72   0.56750  1.0 1.0
   61    63    67    72  -0.07550 -1.0 2.0
   61    63    67    72   0.20000  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    68   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    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    44   0.86500  1.0 1.0
   63    67    39    44  -0.17500 -1.0 2.0
   63    67    39    44   0.20800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.15000  1.0 3.0
   64    63    67    52   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   67    52    55    56   0.34800  1.0 3.0
   67    52    55    57   0.34800  1.0 3.0
   67    52   -55    58   0.46850  1.0 1.0
   67    52   -55    58   0.08550 -1.0 2.0
   67    52   -55    58   0.09800  1.0 3.0
   67    63    68    69   0.15000  1.0 3.0
   67    63    68    70   0.15000  1.0 3.0
   67    63    68    71   0.15000  1.0 3.0
   67    39    44    45  -0.11600  1.0 1.0
   67    39    44    45  -0.09450 -1.0 2.0
   67    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.65300  1.0 1.0
   39    33   -37    42  -0.03850 -1.0 2.0
   39    33   -37    42   0.33900  1.0 3.0
   39    33    41    46   0.09850  1.0 1.0
   39    33    41    46   0.15250 -1.0 2.0
   39    33    41    46  -0.50650  1.0 3.0
   39    33    41    49   0.46850  1.0 1.0
   39    33    41    49   0.08550 -1.0 2.0
   39    33    41    49   0.09800  1.0 3.0
   39    67    72    73   0.15000  1.0 3.0
   39    67    72    74   0.15000  1.0 3.0
   39    67    72    75   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   72    67    39    33   0.56750  1.0 1.0
   72    67    39    33  -0.07550 -1.0 2.0
   72    67    39    33   0.20000  1.0 3.0
   72    67    39    40   0.15000  1.0 3.0
   72    67    39    44   0.86500  1.0 1.0
   72    67    39    44  -0.17500 -1.0 2.0
   72    67    39    44   0.20800  1.0 3.0
   68    63    67    52   0.34400  1.0 1.0
   68    63    67    52   0.09450 -1.0 2.0
   68    63    67    52   0.11100  1.0 3.0
   68    63    67    39   0.56750  1.0 1.0
   68    63    67    39  -0.07550 -1.0 2.0
   68    63    67    39   0.20000  1.0 3.0
   68    63    67    72   0.56750  1.0 1.0
   68    63    67    72  -0.07550 -1.0 2.0
   68    63    67    72   0.20000  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    68   0.86500  1.0 1.0
   65    61    63    68  -0.17500 -1.0 2.0
   65    61    63    68   0.20800  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    42   0.65300  1.0 1.0
   41    33    37    42  -0.03850 -1.0 2.0
   41    33    37    42   0.33900  1.0 3.0
   41    33    39    67   0.34400  1.0 1.0
   41    33    39    67   0.09450 -1.0 2.0
   41    33    39    67   0.11100  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    44   1.05650  1.0 1.0
   41    33    39    44   0.15600 -1.0 2.0
   41    33    39    44   0.53150  1.0 3.0
   41    49    53    54  -0.07800  1.0 1.0
   41    49    53    54  -0.21500 -1.0 2.0
   41    49    53    54  -0.03150  1.0 3.0
   46    41    49    50   0.00000  1.0 1.0
   46    41    49    51   0.00000  1.0 1.0
   46    41    49    53   0.67800  1.0 1.0
   46    41    49    53   0.47050 -1.0 2.0
   46    41    49    53  -0.62500  1.0 3.0
   49    41    46    47   7.00000 -1.0 2.0
   49    41    46    48   7.00000 -1.0 2.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54   0.19450  1.0 3.0
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    42    37    38  10.50000 -1.0 2.0
   37    43    42    52   1.10000 -1.0 2.0
   55    67    52    42   1.10000 -1.0 2.0
   33    49    41    46  15.00000 -1.0 2.0
   47    48    46    41  15.00000 -1.0 2.0
END
