* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    148    217     428
    1     0 S   NP   _N1_     1    28.72119    98.90944   -23.66349
    2     1 S   H    _HN1     2     1.02827    50.12235   168.42333
    3     1 S   H    _H1_     3     1.02793   110.70426   -95.13097
    4     1 S   H    _H2_     4     1.02953    58.45798     4.19727
    5     1 S   CT   _CA1     5     1.50139   136.89487    90.92050
    6     5 S   HC   _HA1     6     1.09575   105.18433   112.44248
    7     5 S   CO3  _C1_     7     1.53765   112.37656    -7.74793
    8     7 S   O2Z  _O11     8     1.26371   115.01219   -44.40550
    9     7 S   O2Z  _O12     9     1.26235   114.93443   134.55181
   10     5 S   CT   _CB1    10     1.53048   107.36810  -129.67611
   11    10 S   HC   HB11    11     1.09841   109.28881   -50.06803
   12    10 S   HC   HB12    12     1.09815   110.46067    66.46423
   13    10 S   CT   _CG1    13     1.53037   112.71819  -171.07830
   14    13 S   HC   HG11    14     1.09579   110.63993   -66.32460
   15    13 S   HC   HG12    15     1.09660   109.83127    52.96484
   16    13 S   C    _CD1    16     1.51797   112.01122   173.32791
   17    16 S   O    _OE1    17     1.22757   123.14214     7.27586
   18    16 S   N    _N2_    18     1.38523   111.92663  -172.99157
   19    18 S   H    _HN2    19     1.01580   119.17617     1.88658
   20    18 S   CT1  _CA2    20     1.46009   122.87338   176.24756
   21    20 S   HC   _HA2    21     1.09657   110.07036    18.47725
   22    20 S   C    _C2_    22     1.52727   104.78065   -98.02797
   23    22 S   O    _O2_    23     1.22952   122.81520   -91.74405
   24    20 S   CT   _CB2    32     1.53153   111.55803   141.67578
   25    24 S   HC   HB21    33     1.09519   110.53126    47.85008
   26    24 S   HC   HB22    34     1.09402   109.54913   167.17419
   27    22 S   N    _N3_    24     1.38629   112.64585    84.39878
   28    27 S   H    _HN3    25     1.01701   119.67893     0.45800
   29    24 S   S    _SG2    35     1.83136   109.67098   -73.31568
   30    27 S   CT   _CA3    26     1.45321   122.54489  -178.73964
   31    30 S   HC   HA31    27     1.09565   107.10961   -68.83568
   32    30 S   HC   HA32    28     1.09556   108.48448    47.31316
   33    29 S   CT   _C11    36     1.89716   101.57530   172.82556
   34    33 S   OM   _O40    37     1.32119   105.18504   -74.08455
   35    30 S   CO3  _C3_    29     1.52797   113.72509   168.71036
   36    35 S   O2Z  _O31    30     1.26368   115.60336   -38.49233
   37    35 S   O2Z  _O32    31     1.26370   114.87966   141.96954
   38    33 S   CA   _C12    38     1.56432   110.61395    51.01410
   39    33 S   CM   _C10    69     1.54240   106.69998   176.86250
   40    39 S   HC   _H10    70     1.09350   113.54339    31.08769
   41    38 S   CA   _C13    39     1.43706   121.38278    61.65222
   42    39 S   CMA  _C9_    71     1.35883   130.73807  -148.88252
   43    42 S   OM   _O41    72     1.26231   132.28722    -2.40835
   44    41 S   CA   _C14    40     1.41724   120.44362   177.99474
   45    44 S   HA   _H11    41     1.08851   119.34469  -179.87028
   46    41 S   CT   _C18    50     1.51997   125.52162    -3.19843
   47    46 S   HC   _H15    51     1.09764   108.95533   137.83434
   48    46 S   HC   _H16    52     1.08780   112.60891    21.05356
   49    42 S   CT   _C8_    73     1.52634   116.48250   179.83687
   50    49 S   HC   _H8_    74     1.09809   112.22678    20.69169
   51    49 S   HC   _H9_    75     1.09953   111.94874   138.04341
   52    44 S   CA   _C15    42     1.38492   121.29822     0.76310
   53    46 S   CO4  _C19    53     1.52417   113.57106  -102.29148
   54    53 S   O    _O37    54     1.23131   122.30702    -9.11346
   55    49 S   CO4  _C7_    76     1.52550   111.49630  -100.16839
   56    55 S   O    _O34    77     1.23227   121.11120  -101.02394
   57    52 S   CA   _C16    43     1.38002   120.01104     0.15195
   58    57 S   HA   _H12    44     1.08660   119.41478   179.47623
   59    52 S   OH   _O36    48     1.36508   121.37779   179.70859
   60    59 S   HO   _H14    49     0.97237   108.38931     0.34605
   61    53 S   CT   _C20    55     1.53221   115.09616   170.45313
   62    61 S   HC   _H17    56     1.09885   108.07288    49.18800
   63    61 S   HC   _H18    57     1.09832   107.30249   -65.07871
   64    55 S   CT   _C6_    78     1.51498   117.09157    81.78040
   65    64 S   HC   _H6_    79     1.09518   106.83822    91.23347
   66    64 S   HC   _H7_    80     1.09319   109.92035   -26.21022
   67    38 S   CA   _C17    45     1.42839   123.09529  -119.11644
   68    61 S   CMA  _C21    58     1.52716   112.70386   173.41578
   69    68 S   OM   _O39    59     1.26223   111.46618   -96.86646
   70    64 S   CO4  _C5_    81     1.51251   115.67262  -147.29812
   71    70 S   O    _O33    82     1.22974   123.02010    18.17497
   72    67 S   OH   _O35    46     1.37483   121.47270     2.27976
   73    72 S   HO   _H13    47     0.97041   109.79493  -176.69145
   74    68 S   CM   _C22    60     1.35184   116.01217    83.54009
   75    74 S   HC   _H19    61     1.08746   119.21058    -0.29208
   76    70 S   CT   _C4_    83     1.50685   116.12185  -164.07121
   77    76 S   HC   _H3_    84     1.09271   109.59108    62.17190
   78    76 S   HC   _H4_    85     1.09274   109.57976   -58.88725
   79    76 S   HC   _H5_    86     1.09355   109.73261  -178.37105
   80    74 S   CO4  _C23    62     1.49101   124.23693  -178.61945
   81    80 S   O    _O38    63     1.22193   125.22512    -3.21394
   82    80 S   S    _S1_    64     1.76347   112.28429   176.97398
   83    82 S   CT   _C24    65     1.80543   100.20234  -162.15196
   84    83 S   HC   _H20    66     1.09307   109.32292   178.62884
   85    83 S   HC   _H21    67     1.09337   110.43065    59.23388
   86    83 S   HC   _H22    68     1.09330   110.60133   -62.06624
  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  16   9   3  13   7   4  11   4  10   4   3
   8   4   3   6   7   4   7   4   6   3   2   1   7   4   3   8
   4   3   2   6   3   5   4   1   1   5   3   3   2   1   1   6
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    67    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    67    72    46    39    40    42    43    49  
   38    41    67    39    40    42  
   36    37  
   37  
    0  
   41    44    45    52    57    58    67    72    73    46    47    48    53    39    40    42  
   40    42    43    49    50    51    55    41    67  
   42    43    49  
   44    45    52    57    67    72    59    46    47    48    53    54    61  
   43    49    50    51    55    56    64  
   49    50    51    55  
   45    52    57    58    67    59    60    46    47    48    53  
   52    57    59    46  
   47    48    53    54    61    62    63    68    52    67  
   48    53    54    61  
   53    54    61  
   50    51    55    56    64    65    66    70  
   51    55    56    64  
   55    56    64  
   57    58    67    72    59    60  
   54    61    62    63    68    69    74  
   61    62    63    68  
   56    64    65    66    70    71    76  
   64    65    66    70  
   58    67    72    73    59    60  
   67    72    59  
   60    67  
    0  
   62    63    68    69    74    75    80  
   63    68    69    74  
   68    69    74  
   65    66    70    71    76    77    78    79  
   66    70    71    76  
   70    71    76  
   72    73  
   69    74    75    80    81    82  
   74    75    80  
   71    76    77    78    79  
   76    77    78    79  
   73  
    0  
   75    80    81    82    83  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    67   469.000  1.400
   41    44   469.000  1.400
   41    46   317.000  1.510
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   270.000  1.512
   68    69   745.000  1.250
   68    74   465.000  1.376
   74    75   340.000  1.080
   74    80   320.000  1.462
   80    81   570.000  1.229
   80    82   210.000  1.799
   82    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    67    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    67    57    63.00000  120.00000
   38    67    72    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    52    63.00000  120.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  110.93000
   44    52    57    63.00000  120.00000
   44    52    59    70.00000  120.00000
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    67    63.00000  120.00000
   52    59    60    35.00000  113.00000
   57    67    72    70.00000  120.00000
   67    38    41    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    72    73    35.00000  113.00000
   59    52    57    70.00000  120.00000
   46    41    44    70.00000  120.00000
   46    53    54    80.00000  120.40000
   46    53    61    70.00000  116.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    68    70.00000  109.06800
   61    53    54    80.00000  120.40000
   61    68    69    85.00000  112.85300
   61    68    74    65.00000  122.18000
   63    61    62    33.00000  107.80000
   68    61    62    45.00000  110.52000
   68    61    63    45.00000  110.52000
   68    74    75    40.00000  120.50800
   68    74    80    60.00000  125.92000
   74    68    69    65.00000  137.10300
   74    80    81    80.00000  123.72100
   74    80    82    65.00000  119.00000
   80    74    75    40.00000  117.72500
   80    82    83    90.00000   96.72000
   82    80    81    80.00000  121.30200
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    49    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    51    45.00000  110.52000
   42    49    55    70.00000  109.06800
   49    42    43    85.00000  112.85300
   49    55    56    80.00000  120.40000
   49    55    64    70.00000  116.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    70    71    80.00000  120.40000
   64    70    76    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    67  -0.16000  1.0 1.0
   29    33    38    67  -0.03200 -1.0 2.0
   29    33    38    67   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    67    57   3.62500 -1.0 2.0
   33    38    67    72   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    67   0.64500  1.0 1.0
   34    33    38    67   0.14800 -1.0 2.0
   34    33    38    67   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    52   3.62500 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    53   0.04300 -1.0 2.0
   38    67    72    73   0.84100 -1.0 2.0
   41    38    67    57   3.62500 -1.0 2.0
   41    38    67    72   3.62500 -1.0 2.0
   41    44   -52    57   3.62500 -1.0 2.0
   41    44    52    59   3.62500 -1.0 2.0
   41    46    53    54   0.30150 -1.0 2.0
   41    46    53    61   0.65300  1.0 1.0
   41    46    53    61  -0.03850 -1.0 2.0
   41    46    53    61   0.33900  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    53   0.04300 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    67   3.62500 -1.0 2.0
   44    52    59    60   0.84100 -1.0 2.0
   45    44    52    57   3.62500 -1.0 2.0
   45    44    52    59   3.62500 -1.0 2.0
   52    57   -67    38   3.62500 -1.0 2.0
   52    57    67    72   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   57    67    72    73   0.84100 -1.0 2.0
   58    57    67    38   3.62500 -1.0 2.0
   58    57    67    72   3.62500 -1.0 2.0
   67    38   -41    44   3.62500 -1.0 2.0
   67    38    41    46   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    67   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    52   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    68   0.65300  1.0 1.0
   46    53    61    68  -0.03850 -1.0 2.0
   46    53    61    68   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    61   0.00000  1.0 1.0
   53    61    68    69   0.09700  1.0 1.0
   53    61    68    69   0.15600 -1.0 2.0
   53    61    68    69  -0.50800  1.0 3.0
   53    61    68    74  -0.51250  1.0 1.0
   53    61    68    74  -0.88800 -1.0 2.0
   53    61    68    74   0.08850  1.0 3.0
   54    53    61    62   0.00000  1.0 1.0
   54    53    61    63   0.00000  1.0 1.0
   54    53    61    68   0.30150 -1.0 2.0
   61    68    74    75   7.00000 -1.0 2.0
   61    68    74    80   7.00000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    74   0.00000  1.0 1.0
   68    74    80    81   1.00000 -1.0 2.0
   68    74    80    82   0.50400  1.0 1.0
   68    74    80    82   1.60000 -1.0 2.0
   68    74    80    82  -0.01800  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    80   7.00000 -1.0 2.0
   74    80    82    83  -0.11550  1.0 1.0
   74    80    82    83   1.88700 -1.0 2.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.92800 -1.0 2.0
   80    82    83    84   0.24000  1.0 3.0
   80    82    83    85   0.24000  1.0 3.0
   80    82    83    86   0.24000  1.0 3.0
   81    80    82    83  -0.11550  1.0 1.0
   81    80    82    83   1.88700 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    67   0.18050 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    55  -0.51250  1.0 1.0
   39    42    49    55  -0.88800 -1.0 2.0
   39    42    49    55   0.08850  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    49    55    56   0.30150 -1.0 2.0
   42    49    55    64   0.65300  1.0 1.0
   42    49    55    64  -0.03850 -1.0 2.0
   42    49    55    64   0.33900  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    55    64    65   0.00000  1.0 1.0
   49    55    64    66   0.00000  1.0 1.0
   49    55    64    70   0.65300  1.0 1.0
   49    55    64    70  -0.03850 -1.0 2.0
   49    55    64    70   0.33900  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    70    71   0.30150 -1.0 2.0
   55    64    70    76   0.65300  1.0 1.0
   55    64    70    76  -0.03850 -1.0 2.0
   55    64    70    76   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    76   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    76   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    67    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   52    45    44    41   1.10000 -1.0 2.0
   57    59    52    44   4.00000 -1.0 2.0
   67    58    57    52   1.10000 -1.0 2.0
   57    72    67    38   4.00000 -1.0 2.0
   46    61    53    54  10.50000 -1.0 2.0
   61    69    68    74  15.00000 -1.0 2.0
   80    75    74    68  15.00000 -1.0 2.0
   74    82    80    81  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
END
