* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    142    226     423
    1     0 S   NP   _N1_     1    32.49884   102.87543   -22.24059
    2     1 S   H    _HN1     2     1.03148   157.75674   -78.32911
    3     1 S   H    _H1_     3     1.03009    50.79437   -76.89767
    4     1 S   H    _H2_     4     1.02730    81.86773   162.64686
    5     1 S   CT   _CA1     5     1.50498    80.30506    49.24207
    6     5 S   HC   _HA1     6     1.09566   105.36913   132.21201
    7     5 S   CO3  _C1_     7     1.53641   112.38399    11.56608
    8     7 S   O2Z  _O11     8     1.26387   115.07607   -46.39148
    9     7 S   O2Z  _O12     9     1.26220   115.00078   132.36150
   10     5 S   CT   _CB1    10     1.52552   106.53001  -110.35136
   11    10 S   HC   HB11    11     1.09677   108.19777   -53.20435
   12    10 S   HC   HB12    12     1.09858   110.40823    62.40030
   13    10 S   CT   _CG1    13     1.53052   114.63263  -174.25335
   14    13 S   HC   HG11    14     1.09472   111.66485   -69.22449
   15    13 S   HC   HG12    15     1.09523   110.91173    51.14160
   16    13 S   C    _CD1    16     1.51562   107.53600   171.48341
   17    16 S   O    _OE1    17     1.22831   121.98327    90.98298
   18    16 S   N    _N2_    18     1.38434   112.42241   -83.33839
   19    18 S   H    _HN2    19     1.01553   118.63059    -8.83409
   20    18 S   CT1  _CA2    20     1.46007   123.33644   162.65188
   21    20 S   HC   _HA2    21     1.09703   110.41984    11.05548
   22    20 S   C    _C2_    22     1.53363   104.04558  -104.28122
   23    22 S   O    _O2_    23     1.22886   122.69892  -112.64431
   24    20 S   CT   _CB2    32     1.52942   111.46042   135.12024
   25    24 S   HC   HB21    33     1.09555   110.09617    48.41475
   26    24 S   HC   HB22    34     1.09518   110.59889   167.31769
   27    22 S   N    _N3_    24     1.38799   112.63729    67.35974
   28    27 S   H    _HN3    25     1.01616   118.90543     3.63771
   29    24 S   S    _SG2    35     1.82854   110.50418   -73.90103
   30    27 S   CT   _CA3    26     1.45519   123.96158  -175.20070
   31    30 S   HC   HA31    27     1.09523   107.02373  -111.21707
   32    30 S   HC   HA32    28     1.09413   110.14662     5.62598
   33    29 S   CT   _C18    36     1.84109    99.97723   139.51364
   34    33 S   HC   _H5_    37     1.09482   104.40681   -52.08356
   35    30 S   CO3  _C3_    29     1.53032   111.72758   128.96383
   36    35 S   O2Z  _O31    30     1.26502   115.56000   -98.87544
   37    35 S   O2Z  _O32    31     1.26322   115.14804    80.34406
   38    33 S   CA   _C19    38     1.51876   112.90598    65.83838
   39    33 S   CM   _C17    51     1.51468   108.52465  -169.24867
   40    39 S   HC   _H11    52     1.09130   115.71186   -54.82100
   41    38 S   CA   _C20    39     1.40555   122.16298    56.39899
   42    41 S   HA   _H12    40     1.08752   120.44128    -0.10087
   43    39 S   CMA  _C16    53     1.35656   126.47368   124.33604
   44    43 S   OM   _O40    54     1.26728   124.11429  -179.78878
   45    41 S   CA   _C21    41     1.39704   120.82994   179.85735
   46    45 S   HA   _H13    42     1.08615   119.29729   179.72876
   47    43 S   OS   _O37    55     1.41240   111.64594     2.69486
   48    45 S   CA   _C22    43     1.39290   119.74549    -0.41022
   49    47 S   CT   _C14    56     1.44033   116.58425  -134.19258
   50    49 S   HC   _H4_    57     1.09703   110.62921   -54.77800
   51    48 S   CA   _C23    44     1.39159   120.13980    -0.29275
   52    48 S   OH   _O39    49     1.36718   120.47374   179.94405
   53    52 S   HO   _H16    50     0.97201   108.66925     0.22728
   54    49 S   CO3  _C15    58     1.54291   110.56821    67.21146
   55    54 S   O2Z  _O36    59     1.26383   116.70949    43.05738
   56    54 S   O2Z  _O35    60     1.26659   114.44625  -138.20654
   57    49 S   CT   _C13    61     1.53790   108.59731  -175.69816
   58    57 S   HC   _H3_    62     1.09841   109.59507  -162.42081
   59    38 S   CA   _C24    45     1.40540   119.23146  -124.79697
   60    59 S   HA   _H14    46     1.08747   119.70446     0.04423
   61    51 S   OH   _O38    47     1.36760   119.36558  -179.55677
   62    61 S   HO   _H15    48     0.97218   108.60881   177.66359
   63    57 S   CO3  _C25    63     1.54258   115.74778    78.27347
   64    63 S   O2Z  _O42    64     1.26158   116.97005     3.95562
   65    63 S   O2Z  _O41    65     1.26759   114.41661  -177.03773
   66    57 S   OS   _O34    66     1.45072   108.86938   -40.90089
   67    66 S   CO4  _C12    67     1.35540   119.14589  -115.02027
   68    67 S   O    _O33    68     1.21957   127.95263    -2.95949
   69    67 S   CM   _C11    69     1.48028   106.59271   176.75002
   70    69 S   HC   _H10    70     1.08403   117.29618    -0.07402
   71    69 S   CM   _C10    71     1.33990   120.06288  -179.47437
   72    71 S   HC   _H9_    72     1.08776   120.06757     0.95409
   73    71 S   CA   _C9_    73     1.47281   124.24067  -179.81869
   74    73 S   CA   _C4_    74     1.40425   122.79072    27.54370
   75    74 S   HA   _H6_    75     1.08723   121.11114    -1.14927
   76    74 S   CA   _C5_    76     1.39799   120.85622   178.06751
   77    76 S   HA   _H7_    77     1.08625   119.31042   179.87333
   78    76 S   CA   _C6_    78     1.39188   119.76173    -0.50976
   79    78 S   CA   _C7_    79     1.39098   120.02627     0.08847
   80    78 S   OH   _O44    84     1.36677   120.52788  -179.89532
   81    80 S   HO   _H18    85     0.97194   108.73281    -1.03873
   82    73 S   CA   _C8_    80     1.40271   118.53207  -155.30316
   83    82 S   HA   _H8_    81     1.08729   120.01762     1.89372
   84    79 S   OH   _O43    82     1.36752   119.22875  -179.98022
   85    84 S   HO   _H17    83     0.97610   108.71100  -168.58313
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   9   7
  11   7   6   3   1   6   2   1   8   5   3   1   1   1   4   2
   1   5   6   3   6   3   8   3   9   8   4   7   3   7   6   3
   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    59    60    61    39    40    43  
   40    43    44    47    49    41    59  
   43    44    47  
   42    45    46    48    51    59    60    52  
   45    46    48    59  
   44    47    49    50    54    57  
   47    49  
   46    48    51    59    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    63    66  
   51    59    60    61    62    52    53  
   50    54    55    56    57    58    63    64    65    66    67  
   54    55    56    57    58    63    66  
   59    60    61    62    52    53  
   53    59    61  
    0  
   55    56    57    58    63    66  
   56    57  
   57  
   58    63    64    65    66    67    68    69  
   63    64    65    66    67  
   60    61    62  
   61  
   62  
    0  
   64    65    66    67  
   65    66  
   66  
   67    68    69    70    71  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    82  
   71    72    73  
   72    73    74    75    76    79    82    83  
   73    74    82  
   74    75    76    77    78    79    82    83    84  
   75    76    77    78    79    82    83    80  
   76    77    78    82  
   77    78    79    82    84    80    81  
   78    79    80  
   79    82    83    84    85    80    81  
   82    83    84    85    80    81  
   81    82    84  
    0  
   83    84    85  
   84  
   85  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   61    62   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    63   317.000  1.522
   57    66   320.000  1.410
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   214.000  1.327
   67    68   570.000  1.229
   67    69   320.000  1.462
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.460
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    80   450.000  1.364
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   84    85   553.000  0.945
   80    81   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    59    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    59    60    35.00000  120.00000
   51    61    62    35.00000  113.00000
   59    38    41    63.00000  120.00000
   61    51    59    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    63    70.00000  109.69300
   49    57    66    50.00000  109.50000
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    63    64    70.00000  117.00000
   57    63    65    70.00000  117.00000
   57    66    67    83.00000  116.90000
   63    57    58    35.00000  109.50000
   65    63    64    80.00000  126.00000
   66    57    58    35.00000  109.50000
   66    57    63    85.00000  109.63000
   66    67    68    83.00000  123.40000
   66    67    69    90.00000  111.29400
   67    69    70    40.00000  117.72500
   67    69    71    65.00000  118.96000
   69    67    68    80.00000  123.72100
   69    71    72    35.00000  120.00000
   69    71    73    60.00000  123.20500
   71    69    70    35.00000  120.00000
   71    73    74    60.00000  120.93500
   71    73    82    60.00000  120.93500
   73    71    72    40.00000  117.26300
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    79    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    80    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    82    63.00000  120.00000
   78    79    84    70.00000  120.00000
   78    80    81    35.00000  113.00000
   79    82    83    35.00000  120.00000
   79    84    85    35.00000  113.00000
   82    73    74    63.00000  120.00000
   84    79    82    70.00000  120.00000
   80    78    79    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    51   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    51   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    59   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -59    38   3.62500 -1.0 2.0
   48    51    59    60   3.62500 -1.0 2.0
   48    51    61    62   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    51    61    62   0.84100 -1.0 2.0
   61    51    59    38   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   52    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    63  -3.35100  1.0 1.0
   47    49    57    63  -0.37050 -1.0 2.0
   47    49    57    63   0.22400  1.0 3.0
   47    49    57    66   1.11900  1.0 1.0
   47    49    57    66  -1.16350 -1.0 2.0
   47    49    57    66  -0.34150  1.0 3.0
   49    57    63    64   0.41150 -1.0 2.0
   49    57    63    65   0.41150 -1.0 2.0
   49    57    66    67  -0.25900  1.0 1.0
   49    57    66    67  -0.47000 -1.0 2.0
   49    57    66    67   0.11750  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    63  -0.11250  1.0 3.0
   50    49    57    66   0.23400  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    63  -0.30950  1.0 1.0
   54    49    57    63   1.11150 -1.0 2.0
   54    49    57    63   0.40350  1.0 3.0
   54    49    57    66  -3.35100  1.0 1.0
   54    49    57    66  -0.37050 -1.0 2.0
   54    49    57    66   0.22400  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    66    67    68   3.00000 -1.0 2.0
   57    66    67    69   2.00000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    66    67   0.08050  1.0 3.0
   63    57    66    67  -1.80650  1.0 1.0
   63    57    66    67   0.63900 -1.0 2.0
   63    57    66    67   0.03650  1.0 3.0
   66    57    63    64   0.30150 -1.0 2.0
   66    57    63    65   0.30150 -1.0 2.0
   66    67    69    70   1.63100 -1.0 2.0
   66    67    69    71  -0.56150  1.0 1.0
   66    67    69    71   2.19150 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    73   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   1.00000 -1.0 2.0
   69    71    73    74   0.15800  1.0 1.0
   69    71    73    74   1.85350 -1.0 2.0
   69    71    73    74  -0.48700  1.0 3.0
   69    71    73    82   0.15800  1.0 1.0
   69    71    73    82   1.85350 -1.0 2.0
   69    71    73    82  -0.48700  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    82    79   3.62500 -1.0 2.0
   71    73    82    83   3.62500 -1.0 2.0
   72    71    73    74   0.56550  1.0 3.0
   72    71    73    82   0.56550  1.0 3.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    79   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    82   3.62500 -1.0 2.0
   76    78    79    84   3.62500 -1.0 2.0
   76    78    80    81   0.84100 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    79   -82    73   3.62500 -1.0 2.0
   78    79    82    83   3.62500 -1.0 2.0
   78    79    84    85   0.84100 -1.0 2.0
   79    78    80    81   0.84100 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   84    79    82    73   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   80    78    79    82   3.62500 -1.0 2.0
   80    78    79    84   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   59    61    51    48   4.00000 -1.0 2.0
   51    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   64    57    63    65  10.50000 -1.0 2.0
   66    69    67    68  10.50000 -1.0 2.0
   67    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   74    82    73    71   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    80    78    76   4.00000 -1.0 2.0
   82    84    79    78   4.00000 -1.0 2.0
   79    83    82    73   1.10000 -1.0 2.0
END
