* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    245     457
    1     0 S   NP   _N1_     1    27.91715    97.61151   -21.61630
    2     1 S   H    _HN1     2     1.02775    97.96500  -101.90638
    3     1 S   H    _H1_     3     1.02958    70.05500     4.80130
    4     1 S   H    _H2_     4     1.02834    43.92741   150.48532
    5     1 S   CT   _CA1     5     1.50155   146.93660   101.72772
    6     5 S   HC   _HA1     6     1.09576   105.17443    93.06593
    7     5 S   CO3  _C1_     7     1.53783   112.42011   -27.02024
    8     7 S   O2Z  _O11     8     1.26366   114.99590   -41.64848
    9     7 S   O2Z  _O12     9     1.26241   114.94179   137.35492
   10     5 S   CT   _CB1    10     1.53089   107.39605  -149.05568
   11    10 S   HC   HB11    11     1.09827   109.25315   -50.38038
   12    10 S   HC   HB12    12     1.09815   110.43785    66.15648
   13    10 S   CT   _CG1    13     1.53018   112.72634  -171.47308
   14    13 S   HC   HG11    14     1.09592   110.47215   -65.79155
   15    13 S   HC   HG12    15     1.09660   109.91613    53.41315
   16    13 S   C    _CD1    16     1.51853   112.33399   173.70692
   17    16 S   O    _OE1    17     1.22750   123.28693     0.48295
   18    16 S   N    _N2_    18     1.38601   111.70726  -179.23972
   19    18 S   H    _HN2    19     1.01547   118.97571     4.25146
   20    18 S   CT1  _CA2    20     1.45801   122.78445   177.86687
   21    20 S   HC   _HA2    21     1.09544   108.42075    26.02379
   22    20 S   C    _C2_    22     1.52899   107.53370   -90.34180
   23    22 S   O    _O2_    23     1.22921   123.26879   -25.30096
   24    20 S   CT   _CB2    32     1.53175   112.05397   149.79186
   25    24 S   HC   HB21    33     1.09649   109.91408    48.59018
   26    24 S   HC   HB22    34     1.09536   111.73503   166.38828
   27    22 S   N    _N3_    24     1.38514   112.18894   157.40829
   28    27 S   H    _HN3    25     1.01600   120.13406    -2.21364
   29    24 S   S    _SG2    35     1.82514   112.46372   -70.69376
   30    27 S   CT   _CA3    26     1.45284   122.83358   178.48845
   31    30 S   HC   HA31    27     1.09555   107.95221   -53.77593
   32    30 S   HC   HA32    28     1.09552   107.53850    62.65066
   33    29 S   CT   _C22    36     1.83922    99.55402   -90.75255
   34    33 S   HC   _H3_    37     1.09458   105.50044   -60.57184
   35    30 S   CO3  _C3_    29     1.52931   114.08711  -175.65125
   36    35 S   O2Z  _O31    30     1.26358   116.03134     2.53551
   37    35 S   O2Z  _O32    31     1.26414   114.43762  -177.52868
   38    33 S   CM   _C8_    38     1.51222   108.37231  -178.77251
   39    33 S   OS   _O25    70     1.42796   111.35497    57.88026
   40    38 S   CMA  _C9_    39     1.35331   129.15009   -87.99314
   41    40 S   OM   _O20    40     1.26326   128.26457     0.71601
   42    39 S   CO   _C14    71     1.42419   113.50428  -146.97599
   43    42 S   HC   _H34    72     1.09597   110.38899    61.47852
   44    40 S   OS   _O22    41     1.41928   110.16504   179.28482
   45    42 S   CM   _C4_    73     1.47714   108.41262  -176.89398
   46    45 S   HC   _H27    74     1.08058   123.86950   -59.41868
   47    44 S   CT   _C15    42     1.42608   107.86933     8.55667
   48    47 S   HC   _H35    43     1.09569   109.50601  -135.32698
   49    45 S   CM   _C5_    75     1.33040   111.48331   120.48465
   50    47 S   CM   _C7_    44     1.50498   112.01224   101.24933
   51    49 S   CO4  _C10    76     1.46726   106.40424     0.24066
   52    51 S   O    _O21    77     1.21907   125.47383   179.73239
   53    49 S   CT   _C19    79     1.47787   129.95301  -179.81025
   54    53 S   HC   _H38    80     1.09448   110.52018   119.98693
   55    53 S   HC   _H39    81     1.09481   111.43022    -0.02798
   56    53 S   HC   _H40    82     1.09447   110.53171  -119.99549
   57    50 S   CM   _C6_    45     1.34157   110.79265  -126.52224
   58    42 S   OS   _O23    78     1.43147   113.98239   -62.27413
   59    57 S   CT   _C11    46     1.49518   112.24594    -0.54429
   60    59 S   HC   _H28    47     1.09249   111.73241   132.66843
   61    59 S   HC   _H29    48     1.09598   109.41672  -107.42521
   62    57 S   CT   _C16    51     1.49258   124.87163  -178.31553
   63    62 S   HC   _H36    52     1.09635   108.57466   108.66720
   64    38 S   CT   _C17    49     1.50014   119.54613    91.28873
   65    64 S   HC   _H37    50     1.09625   109.52184   -68.84809
   66    62 S   CT   _C12    53     1.53336   111.84263   -12.62811
   67    66 S   HC   _H30    54     1.09742   110.35097   -81.64826
   68    66 S   HC   _H31    55     1.09707   109.18070   163.02597
   69    62 S   OH   _O24    68     1.42319   109.71080  -133.85446
   70    69 S   HO   _H48    69     0.97197   107.60436   176.33371
   71    66 S   CT   _C13    56     1.53039   111.54180    41.43792
   72    71 S   HC   _H32    57     1.09901   108.20872    62.26139
   73    71 S   HC   _H33    58     1.09724   109.36153   177.51462
   74    50 S   CT   _C18    59     1.51379   124.99620    55.79676
   75    74 S   CT   _C20    60     1.54128   109.86500   -77.50479
   76    75 S   HC   _H41    61     1.09617   111.00744  -172.64961
   77    75 S   HC   _H42    62     1.09517   111.79183    68.14227
   78    75 S   HC   _H43    63     1.09554   111.92127   -52.35899
   79    74 S   CT   _C21    64     1.53912   111.25762    43.04201
   80    79 S   HC   _H44    65     1.09618   110.98096   176.28279
   81    79 S   HC   _H45    66     1.09630   111.36459    56.34880
   82    79 S   HC   _H46    67     1.09595   111.72636   -64.00089
  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   7   5   4   3
  14   5   2   1   1  14   9   8   3   8   5   8   9   4  13   6
   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6   2
   1  10   6   5   2   1  11   4   3   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    64    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    47    59    64    65    39    42    43    45    58  
   38    40    64    39    42  
   36    37  
   37  
    0  
   40    41    44    47    48    50    57    59    60    61    64    65    39    42  
   42    43    45    46    49    51    58    40    64  
   41    44    47    48    50    59    64    65  
   44    47    64  
   43    45    46    49    51    52    58    53  
   45    46    49    51    58  
   47    48    50    57    59    64    65    74  
   46    49    51    52    58    53    54    55    56  
   49    51    58    53  
   48    50    57    59    60    61    64    65    62    71    74    75    79  
   50    57    59    64    65    74  
   51    52    58    53    54    55    56  
   57    59    60    61    64    65    62    63    66    71    72    73    74    75    76    77    78    79    80    81    82    69  
   52    58    53    54    55    56  
   58    53  
   54    55    56    58  
   55    56  
   56  
    0  
   59    60    61    64    65    62    63    66    67    68    71    74    75    79    69    70  
    0  
   60    61    64    65    62    63    66    74    69  
   61    64    65    62  
   64    65    62  
   63    66    67    68    71    72    73    74    69    70    64  
   66    67    68    71    69    70  
   65    74  
    0  
   67    68    71    72    73    74    75    79    69    70  
   68    71    72    73    74    69  
   71    72    73    74    69  
   70    71  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    64   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   317.000  1.510
   47    64   268.000  1.529
   50    57   549.000  1.340
   50    74   317.000  1.510
   57    59   317.000  1.510
   57    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   553.000  0.945
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    45   317.000  1.510
   42    58   320.000  1.380
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    51   320.000  1.462
   49    53   317.000  1.510
   51    52   570.000  1.229
   51    58   214.000  1.327
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    64    65.00000  117.92700
   33    39    42    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   38    64    47    70.00000  112.02700
   38    64    59    70.00000  112.02700
   38    64    65    35.00000  109.50000
   40    44    47    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    47    48    35.00000  109.50000
   44    47    50    85.00000  110.90400
   44    47    64    50.00000  109.50000
   47    50    57    70.00000  124.00000
   47    50    74    65.00000  117.92700
   47    64    59    58.35000  112.70000
   47    64    65    37.50000  110.70000
   50    47    48    35.00000  109.50000
   50    57    59    70.00000  124.00000
   50    57    62    70.00000  124.00000
   50    74    71    70.00000  112.02700
   50    74    75    70.00000  112.02700
   50    74    79    70.00000  112.02700
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    64    70.00000  112.02700
   57    62    63    35.00000  109.50000
   57    62    66    70.00000  112.02700
   57    62    69    90.00000  110.39200
   59    64    65    37.50000  110.70000
   61    59    60    33.00000  107.80000
   64    38    40    70.00000  124.00000
   64    47    48    37.50000  110.70000
   64    47    50    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   62    57    59    65.00000  117.92700
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    71    58.35000  112.70000
   62    69    70    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    50    57    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    66    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    42    43    35.00000  109.50000
   39    42    45    85.00000  110.90400
   39    42    58    92.60000  111.55000
   42    45    46    35.00000  117.00000
   42    45    49    70.00000  124.00000
   42    58    51    95.00000  111.08000
   45    42    43    35.00000  109.50000
   45    49    51    65.00000  118.96000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    51    58    90.00000  111.29400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   58    42    43    35.00000  109.50000
   58    42    45    85.00000  110.90400
   58    51    52    83.00000  123.40000
   53    49    51    65.00000  116.34900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    64   0.30250  1.0 1.0
   29    33    38    64  -0.14950 -1.0 2.0
   29    33    38    64   0.36900  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    64    47   0.46850  1.0 1.0
   33    38    64    47   0.08550 -1.0 2.0
   33    38    64    47   0.09800  1.0 3.0
   33    38    64    59   0.46850  1.0 1.0
   33    38    64    59   0.08550 -1.0 2.0
   33    38    64    59   0.09800  1.0 3.0
   33    38    64    65   0.34800  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    45  -0.77900  1.0 1.0
   33    39    42    45  -0.36900 -1.0 2.0
   33    39    42    45   0.40400  1.0 3.0
   33    39    42    58  -0.53350  1.0 1.0
   33    39    42    58  -0.78350 -1.0 2.0
   33    39    42    58   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    64   0.34800  1.0 3.0
   34    33    39    42   0.37050  1.0 3.0
   38    33    39    42  -0.77900  1.0 1.0
   38    33    39    42  -0.36900 -1.0 2.0
   38    33    39    42   0.40400  1.0 3.0
   38    40   -44    47  -2.26850  1.0 1.0
   38    40   -44    47   3.39050 -1.0 2.0
   40    38   -64    47   0.09850  1.0 1.0
   40    38   -64    47   0.15250 -1.0 2.0
   40    38   -64    47  -0.50650  1.0 3.0
   40    38    64    59   0.09850  1.0 1.0
   40    38    64    59   0.15250 -1.0 2.0
   40    38    64    59  -0.50650  1.0 3.0
   40    38    64    65   0.00000  1.0 1.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    50  -0.48150  1.0 1.0
   40    44    47    50   0.09250 -1.0 2.0
   40    44    47    50  -0.12850  1.0 3.0
   40    44   -47    64  -0.46850  1.0 1.0
   40    44   -47    64   0.09300 -1.0 2.0
   40    44   -47    64  -0.12850  1.0 3.0
   41    40    44    47   2.00000 -1.0 2.0
   44    47    50    57   0.39000  1.0 1.0
   44    47    50    57  -0.05800 -1.0 2.0
   44    47    50    57  -0.55150  1.0 3.0
   44    47    50    74   0.09700  1.0 1.0
   44    47    50    74   0.15600 -1.0 2.0
   44    47    50    74  -0.50800  1.0 3.0
   44    47   -64    38   0.61850  1.0 1.0
   44    47   -64    38  -0.22750 -1.0 2.0
   44    47   -64    38   0.15300  1.0 3.0
   44    47    64    59   0.62750  1.0 1.0
   44    47    64    59  -0.30950 -1.0 2.0
   44    47    64    59   0.27300  1.0 3.0
   44    47    64    65   0.23400  1.0 3.0
   47    50   -57    59   7.00000 -1.0 2.0
   47    50    57    62   7.00000 -1.0 2.0
   47    50    74    71   0.46850  1.0 1.0
   47    50    74    71   0.08550 -1.0 2.0
   47    50    74    71   0.09800  1.0 3.0
   47    50    74    75   0.46850  1.0 1.0
   47    50    74    75   0.08550 -1.0 2.0
   47    50    74    75   0.09800  1.0 3.0
   47    50    74    79   0.46850  1.0 1.0
   47    50    74    79   0.08550 -1.0 2.0
   47    50    74    79   0.09800  1.0 3.0
   48    47    50    57   0.00000  1.0 1.0
   48    47    50    74   0.34800  1.0 3.0
   48    47    64    38   0.15000  1.0 3.0
   48    47    64    59   0.15000  1.0 3.0
   48    47    64    65   0.15000  1.0 3.0
   50    47    64    38   0.31000  1.0 1.0
   50    47    64    38   0.14700 -1.0 2.0
   50    47    64    38   0.07550  1.0 3.0
   50    47   -64    59   0.34400  1.0 1.0
   50    47   -64    59   0.09450 -1.0 2.0
   50    47   -64    59   0.11100  1.0 3.0
   50    47    64    65   0.15000  1.0 3.0
   50    57    59    60   0.00000  1.0 1.0
   50    57    59    61   0.00000  1.0 1.0
   50    57   -59    64   0.09850  1.0 1.0
   50    57   -59    64   0.15250 -1.0 2.0
   50    57   -59    64  -0.50650  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    66   0.09850  1.0 1.0
   50    57    62    66   0.15250 -1.0 2.0
   50    57    62    66  -0.50650  1.0 3.0
   50    57    62    69   0.67800  1.0 1.0
   50    57    62    69   0.47050 -1.0 2.0
   50    57    62    69  -0.62500  1.0 3.0
   50    74    75    76   0.15000  1.0 3.0
   50    74    75    77   0.15000  1.0 3.0
   50    74    75    78   0.15000  1.0 3.0
   50    74    79    80   0.15000  1.0 3.0
   50    74    79    81   0.15000  1.0 3.0
   50    74    79    82   0.15000  1.0 3.0
   57    50    74    71   0.09850  1.0 1.0
   57    50    74    71   0.15250 -1.0 2.0
   57    50    74    71  -0.50650  1.0 3.0
   57    50    74    75   0.09850  1.0 1.0
   57    50    74    75   0.15250 -1.0 2.0
   57    50    74    75  -0.50650  1.0 3.0
   57    50    74    79   0.09850  1.0 1.0
   57    50    74    79   0.15250 -1.0 2.0
   57    50    74    79  -0.50650  1.0 3.0
   57    59    64    38   0.31000  1.0 1.0
   57    59    64    38   0.14700 -1.0 2.0
   57    59    64    38   0.07550  1.0 3.0
   57    59   -64    47   0.34400  1.0 1.0
   57    59   -64    47   0.09450 -1.0 2.0
   57    59   -64    47   0.11100  1.0 3.0
   57    59    64    65   0.15000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62   -66    71   0.34400  1.0 1.0
   57    62   -66    71   0.09450 -1.0 2.0
   57    62   -66    71   0.11100  1.0 3.0
   57    62    69    70  -0.07800  1.0 1.0
   57    62    69    70  -0.21500 -1.0 2.0
   57    62    69    70  -0.03150  1.0 3.0
   59    57    62    63   0.34800  1.0 3.0
   59    57    62    66   0.46850  1.0 1.0
   59    57    62    66   0.08550 -1.0 2.0
   59    57    62    66   0.09800  1.0 3.0
   59    57    62    69   0.18000  1.0 1.0
   59    57    62    69   0.16450 -1.0 2.0
   59    57    62    69   0.04450  1.0 3.0
   60    59    64    38   0.15000  1.0 3.0
   60    59    64    47   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   61    59    64    38   0.15000  1.0 3.0
   61    59    64    47   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   64    38    40    41   7.00000 -1.0 2.0
   64    38   -40    44   7.00000 -1.0 2.0
   64    47   -50    57   0.09850  1.0 1.0
   64    47   -50    57   0.15250 -1.0 2.0
   64    47   -50    57  -0.50650  1.0 3.0
   64    47    50    74   0.46850  1.0 1.0
   64    47    50    74   0.08550 -1.0 2.0
   64    47    50    74   0.09800  1.0 3.0
   62    57    59    60   0.34800  1.0 3.0
   62    57    59    61   0.34800  1.0 3.0
   62    57    59    64   0.46850  1.0 1.0
   62    57    59    64   0.08550 -1.0 2.0
   62    57    59    64   0.09800  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.56750  1.0 1.0
   62    66    71    74  -0.07550 -1.0 2.0
   62    66    71    74   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   66    62    69    70  -0.11600  1.0 1.0
   66    62    69    70  -0.09450 -1.0 2.0
   66    62    69    70   0.21250  1.0 3.0
   66    71   -74    50   0.34400  1.0 1.0
   66    71   -74    50   0.09450 -1.0 2.0
   66    71   -74    50   0.11100  1.0 3.0
   66    71    74    75   0.56750  1.0 1.0
   66    71    74    75  -0.07550 -1.0 2.0
   66    71    74    75   0.20000  1.0 3.0
   66    71    74    79   0.56750  1.0 1.0
   66    71    74    79  -0.07550 -1.0 2.0
   66    71    74    79   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    50   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    50   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    50    57    59   7.00000 -1.0 2.0
   74    50   -57    62   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   69    62    66    67   0.23400  1.0 3.0
   69    62    66    68   0.23400  1.0 3.0
   69    62    66    71   0.86500  1.0 1.0
   69    62    66    71  -0.17500 -1.0 2.0
   69    62    66    71   0.20800  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    64   0.09700  1.0 1.0
   39    33    38    64   0.15600 -1.0 2.0
   39    33    38    64  -0.50800  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.39000  1.0 1.0
   39    42    45    49  -0.05800 -1.0 2.0
   39    42    45    49  -0.55150  1.0 3.0
   39    42    58    51  -1.83450  1.0 1.0
   39    42    58    51  -0.02700 -1.0 2.0
   39    42    58    51  -0.20100  1.0 3.0
   42    45   -49    51   7.00000 -1.0 2.0
   42    45    49    53   7.00000 -1.0 2.0
   43    42    45    46   0.33100  1.0 3.0
   43    42    45    49   0.00000  1.0 1.0
   43    42    58    51   0.08050  1.0 3.0
   45    42   -58    51  -0.82050  1.0 1.0
   45    42   -58    51   0.00600 -1.0 2.0
   45    42   -58    51   0.04400  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49   -51    58  -0.56150  1.0 1.0
   45    49   -51    58   2.19150 -1.0 2.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    51   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    51   -58    42   2.00000 -1.0 2.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   52    51    58    42   3.00000 -1.0 2.0
   58    42    45    46   0.00000  1.0 1.0
   58    42   -45    49   0.39000  1.0 1.0
   58    42   -45    49  -0.05800 -1.0 2.0
   58    42   -45    49  -0.55150  1.0 3.0
   53    49    51    52  -0.64400  1.0 1.0
   53    49    51    52   0.26850 -1.0 2.0
   53    49    51    58  -0.15000  1.0 1.0
   53    49    51    58   0.89550 -1.0 2.0
   53    49    51    58  -0.06900  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    64    38    40   1.10000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
   47    74    50    57   1.10000 -1.0 2.0
   59    62    57    50   1.10000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   51    53    49    45   1.10000 -1.0 2.0
   49    58    51    52  10.50000 -1.0 2.0
END
