* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    250     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044    88.63563   -71.36180
    3     1 S   H    _H1_     3     1.02045    91.93158    37.29111
    4     1 S   H    _H2_     4     1.02100    32.96744   159.87486
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.83723    97.52617  -178.15061
   34    33 S   HC   _H3_    37     1.02724    98.72503    33.12698
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C15    38     1.53379   110.60795   -80.02971
   39    38 S   HC   _H36    39     1.10502   111.83121   -46.38169
   40    38 S   CO4  _C10    40     1.51803   112.05410  -169.16831
   41    40 S   O    _O21    41     1.23302   120.53425   165.36974
   42    38 S   OS   _O24    79     1.41971   109.97124    72.56825
   43    40 S   CT   _C12    42     1.51411   118.65547   -19.90250
   44    43 S   HC   _H30    43     1.10940   106.43342   164.34619
   45    43 S   HC   _H31    44     1.11253   107.95598   -83.11574
   46    42 S   CT   _C22    80     1.42105   111.50013  -158.38115
   47    46 S   HC   _H46    81     1.09340   109.50095  -179.95154
   48    46 S   HC   _H47    82     1.09257   109.54206    59.25500
   49    46 S   HC   _H48    83     1.09239   109.03280   -60.41824
   50    43 S   CT   _C16    45     1.54409   114.86563    38.55833
   51    50 S   HC   _H37    46     1.12371   105.27398  -116.97666
   52    50 S   CT   _C17    47     1.54005   113.99167   127.47147
   53    52 S   HC   _H38    48     1.09997   107.57039    51.72025
   54    33 S   CT   _C19    60     1.56946   117.70416   149.76678
   55    52 S   CT   _C11    49     1.53876   109.96874   -65.43556
   56    55 S   HC   _H28    50     1.09470   111.01935  -165.31299
   57    55 S   HC   _H29    51     1.09919   107.90313    79.33791
   58    54 S   CT   _C13    61     1.55534   112.43249   -45.15821
   59    58 S   HC   _H32    62     1.09214   111.18077    71.52703
   60    58 S   HC   _H33    63     1.09446   109.40158   -46.85368
   61    52 S   NT   _N20    67     1.47931   108.32218   166.78210
   62    55 S   CA   _C6_    52     1.50917   115.10778   -40.30334
   63    58 S   CT   _C14    64     1.53807   113.10154  -166.42441
   64    63 S   HC   _H34    65     1.09989   107.39454   169.95071
   65    63 S   HC   _H35    66     1.09913   110.21690   -75.39741
   66    61 S   CT   _C20    68     1.45845   113.55075  -171.72951
   67    66 S   HC   _H40    69     1.09289   110.09702    48.78249
   68    66 S   HC   _H41    70     1.09405   110.22909   -71.14470
   69    66 S   HC   _H42    71     1.09273   110.25209   168.85173
   70    62 S   CA   _C4_    53     1.40717   117.17945  -171.56371
   71    70 S   HA   _H26    54     1.08695   120.15864    -1.18035
   72    70 S   CA   _C5_    55     1.39020   120.87735   178.93670
   73    72 S   HA   _H27    56     1.08631   119.80129   179.79347
   74    72 S   CA   _C8_    57     1.38660   119.43937    -0.38614
   75    74 S   CA   _C9_    58     1.39796   120.19353     0.73249
   76    74 S   OS   _O23    74     1.36342   118.88173  -178.85192
   77    62 S   CA   _C7_    59     1.41424   122.54395     8.86929
   78    75 S   OH   _O22    72     1.35588   114.52830  -177.70049
   79    78 S   HO   _H49    73     0.97152   110.47065   178.43940
   80    76 S   CT   _C21    75     1.42539   116.95361   -90.32813
   81    80 S   HC   _H43    76     1.09280   109.52496   179.97202
   82    80 S   HC   _H44    77     1.09279   109.54282    59.15711
   83    80 S   HC   _H45    78     1.09269   108.95839   -60.50367
  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  10   5   4   3
  19   8   2   1   1  15   6  10   5   6  11   5   4   3   2   1
   1  16   7  17   8  14  11   5   4  10   6   5   8   8   7   2
   1   3   2   1   1   7   4   7   3   9   5   6   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    77    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    52    62    75    77    54    58    59    60    63    42    46  
   38    39    40    50    77    54    58    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    77    54    58    42    46    47    48    49  
   40    41    43    54    42    46  
   41    43    44    45    50    51    52    54    42    46  
   43    44    45    50    42  
   46    47    48    49    43    54  
   44    45    50    51    52    53    55    77    54    58    61  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    55    56    57    62    75    77    54    58    59    60    63    61    66  
   52    53    55    77    54    58    61  
   53    55    56    57    62    70    77    54    58    63    64    65    61    66    67    68    69  
   55    56    57    62    54    63    61    66  
   58    59    60    63    64    65    61    78    55    62    70    74    75    77  
   56    57    62    70    71    72    75    77    63    61    66  
   57    62    70    77    61  
   62    70    77    61  
   59    60    63    64    65    61    66    62    75    77  
   60    63    64    65    61    77  
   63    64    65    61    77  
   66    67    68    69    62    63    64    65  
   70    71    72    73    74    75    77    78  
   64    65    66    67    68    69    77  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    77    76  
   72    73    74    77  
   73    74    75    77    78    76    80  
   74    75    76  
   75    77    78    79    76    80    81    82    83  
   77    78    79    76    80  
   80    81    82    83    77    78  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.107500   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    61   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   317.000  1.510
   62    70   469.000  1.400
   62    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    54   317.000  1.510
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    61   382.000  1.448
   61    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   78    79   553.000  0.945
   76    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    54    50    58.35000  112.70000
   33    54    77    70.00000  112.17500
   33    54    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    61    56.20000  109.47000
   50    54    77    70.00000  112.17500
   50    54    58    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    62    70.00000  112.17500
   52    61    63    51.80000  107.20000
   52    61    66    51.80000  107.20000
   55    52    53    37.50000  110.70000
   55    62    70    70.00000  120.00000
   55    62    77    70.00000  120.00000
   57    55    56    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    57    35.00000  109.50000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    54    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    80    75.00000  111.00000
   75    77    54    70.00000  120.00000
   75    78    79    35.00000  113.00000
   77    62    70    63.00000  120.00000
   77    54    58    70.00000  112.17500
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    63    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    61    56.20000  109.47000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    61    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    55    56.20000  109.47000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   78    75    77    70.00000  120.00000
   76    74    75    70.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    77   0.56750  1.0 1.0
   29    33    54    77  -0.07550 -1.0 2.0
   29    33    54    77   0.20000  1.0 3.0
   29    33    54    58   0.44750  1.0 1.0
   29    33    54    58  -0.17800 -1.0 2.0
   29    33    54    58   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   33    54    58    59   0.15000  1.0 3.0
   33    54    58    60   0.15000  1.0 3.0
   33    54    58    63   0.56750  1.0 1.0
   33    54    58    63  -0.07550 -1.0 2.0
   33    54    58    63   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    77   0.43200  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    77  -0.03700  1.0 1.0
   38    33    54    77   0.37200 -1.0 2.0
   38    33    54    77  -0.47300  1.0 3.0
   38    33    54    58   0.56750  1.0 1.0
   38    33    54    58  -0.07550 -1.0 2.0
   38    33    54    58   0.20000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    54  -0.95700  1.0 1.0
   40    43    50    54  -0.18200 -1.0 2.0
   40    43    50    54   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.56750  1.0 1.0
   43    50    52    55  -0.07550 -1.0 2.0
   43    50    52    55   0.20000  1.0 3.0
   43    50    52    61   1.53400  1.0 1.0
   43    50    52    61  -0.09950 -1.0 2.0
   43    50    52    61   0.05700  1.0 3.0
   43    50   -54    33   0.56750  1.0 1.0
   43    50   -54    33  -0.07550 -1.0 2.0
   43    50   -54    33   0.20000  1.0 3.0
   43    50    54    77  -0.03700  1.0 1.0
   43    50    54    77   0.37200 -1.0 2.0
   43    50    54    77  -0.47300  1.0 3.0
   43    50    54    58   0.56750  1.0 1.0
   43    50    54    58  -0.07550 -1.0 2.0
   43    50    54    58   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.15000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    62  -0.03700  1.0 1.0
   50    52    55    62   0.37200 -1.0 2.0
   50    52    55    62  -0.47300  1.0 3.0
   50    52    61    63   0.23450  1.0 1.0
   50    52    61    63   0.02050 -1.0 2.0
   50    52    61    63   0.25250  1.0 3.0
   50    52    61    66   0.58650  1.0 1.0
   50    52    61    66   0.12600 -1.0 2.0
   50    52    61    66   0.33350  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54   -58    63   0.56750  1.0 1.0
   50    54   -58    63  -0.07550 -1.0 2.0
   50    54   -58    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    61   0.15000  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    77   0.43200  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    33   0.56750  1.0 1.0
   52    50    54    33  -0.07550 -1.0 2.0
   52    50    54    33   0.20000  1.0 3.0
   52    50    54    77  -0.03700  1.0 1.0
   52    50    54    77   0.37200 -1.0 2.0
   52    50    54    77  -0.47300  1.0 3.0
   52    50    54    58   0.56750  1.0 1.0
   52    50    54    58  -0.07550 -1.0 2.0
   52    50    54    58   0.20000  1.0 3.0
   52    55    62    70   0.04150 -1.0 2.0
   52    55   -62    77   0.04150 -1.0 2.0
   52    61    66    67   0.28000  1.0 3.0
   52    61    66    68   0.28000  1.0 3.0
   52    61    66    69   0.28000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    62   0.43200  1.0 3.0
   53    52    61    63   0.28000  1.0 3.0
   53    52    61    66   0.28000  1.0 3.0
   55    52    61    63   0.23450  1.0 1.0
   55    52    61    63   0.02050 -1.0 2.0
   55    52    61    63   0.25250  1.0 3.0
   55    52    61    66   0.58650  1.0 1.0
   55    52    61    66   0.12600 -1.0 2.0
   55    52    61    66   0.33350  1.0 3.0
   55    62    70    71   3.62500 -1.0 2.0
   55    62    70    72   3.62500 -1.0 2.0
   55    62    77    75   3.62500 -1.0 2.0
   55    62    77    54   3.62500 -1.0 2.0
   56    55    62    70   0.00000  1.0 1.0
   56    55    62    77   0.00000  1.0 1.0
   57    55    62    70   0.00000  1.0 1.0
   57    55    62    77   0.00000  1.0 1.0
   62    70    72    73   3.62500 -1.0 2.0
   62    70    72    74   3.62500 -1.0 2.0
   62    77    54    33   0.04150 -1.0 2.0
   62    77   -54    50   0.04150 -1.0 2.0
   62    77    54    58   0.04150 -1.0 2.0
   70    62    77    75   3.62500 -1.0 2.0
   70    62    77    54   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    62   3.62500 -1.0 2.0
   74    75    77    54   3.62500 -1.0 2.0
   74    75    78    79   0.84100 -1.0 2.0
   74    76    80    81   0.08050  1.0 3.0
   74    76    80    82   0.08050  1.0 3.0
   74    76    80    83   0.08050  1.0 3.0
   75    74    76    80   1.63200 -1.0 2.0
   75    77    54    33   0.04150 -1.0 2.0
   75    77    54    50   0.04150 -1.0 2.0
   75    77    54    58   0.04150 -1.0 2.0
   77    62    70    71   3.62500 -1.0 2.0
   77    62   -70    72   3.62500 -1.0 2.0
   77    75    78    79   0.84100 -1.0 2.0
   77    54    58    59   0.43200  1.0 3.0
   77    54    58    60   0.43200  1.0 3.0
   77    54    58    63  -0.03700  1.0 1.0
   77    54    58    63   0.37200 -1.0 2.0
   77    54    58    63  -0.47300  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50   -52    55   0.56750  1.0 1.0
   54    50   -52    55  -0.07550 -1.0 2.0
   54    50   -52    55   0.20000  1.0 3.0
   54    50    52    61   1.53400  1.0 1.0
   54    50    52    61  -0.09950 -1.0 2.0
   54    50    52    61   0.05700  1.0 3.0
   54    58    63    64   0.15000  1.0 3.0
   54    58    63    65   0.15000  1.0 3.0
   54    58   -63    61   1.53400  1.0 1.0
   54    58   -63    61  -0.09950 -1.0 2.0
   54    58   -63    61   0.05700  1.0 3.0
   58    63   -61    52   0.23450  1.0 1.0
   58    63   -61    52   0.02050 -1.0 2.0
   58    63   -61    52   0.25250  1.0 3.0
   58    63    61    66   0.58650  1.0 1.0
   58    63    61    66   0.12600 -1.0 2.0
   58    63    61    66   0.33350  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    61   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    61   0.15000  1.0 3.0
   63    61    66    67   0.28000  1.0 3.0
   63    61    66    68   0.28000  1.0 3.0
   63    61    66    69   0.28000  1.0 3.0
   64    63    61    52   0.28000  1.0 3.0
   64    63    61    66   0.28000  1.0 3.0
   65    63    61    52   0.28000  1.0 3.0
   65    63    61    66   0.28000  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    62   0.83750  1.0 1.0
   61    52    55    62   0.32200 -1.0 2.0
   61    52    55    62   0.70600  1.0 3.0
   78    75    77    62   3.62500 -1.0 2.0
   78    75    77    54   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   70    77    62    55   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   75    54    77    62   4.00000 -1.0 2.0
END
