* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    242     448
    1     0 S   NP   _N1_     1    29.04347    94.41160   -24.78078
    2     1 S   H    _HN1     2     1.02831    28.95583  -176.47324
    3     1 S   H    _H1_     3     1.02782   114.27339   -93.31812
    4     1 S   H    _H2_     4     1.02920    78.32841    11.79393
    5     1 S   CT   _CA1     5     1.50129   126.36986   118.71836
    6     5 S   HC   _HA1     6     1.09580   105.08223    86.88602
    7     5 S   CO3  _C1_     7     1.53793   112.65877   -33.05711
    8     7 S   O2Z  _O11     8     1.26357   115.03259   -37.76953
    9     7 S   O2Z  _O12     9     1.26241   114.97354   141.35501
   10     5 S   CT   _CB1    10     1.53115   107.45137  -155.24258
   11    10 S   HC   HB11    11     1.09822   109.27703   -49.63670
   12    10 S   HC   HB12    12     1.09710   110.48997    66.99732
   13    10 S   CT   _CG1    13     1.52946   112.64099  -170.74500
   14    13 S   HC   HG11    14     1.09581   110.58931   -69.15301
   15    13 S   HC   HG12    15     1.09686   109.70598    49.99230
   16    13 S   C    _CD1    16     1.51836   112.41273   170.41331
   17    16 S   O    _OE1    17     1.22724   123.37701    10.09218
   18    16 S   N    _N2_    18     1.38638   111.50889  -170.07580
   19    18 S   H    _HN2    19     1.01604   118.89989    -0.21670
   20    18 S   CT1  _CA2    20     1.46089   123.52021   175.74844
   21    20 S   HC   _HA2    21     1.09557   109.25365    -5.11274
   22    20 S   C    _C2_    22     1.53510   108.38792  -119.89587
   23    22 S   O    _O2_    23     1.23032   122.33647  -148.62069
   24    20 S   CT   _CB2    32     1.53234   111.62527   117.68999
   25    24 S   HC   HB21    33     1.09653   109.62887    56.10163
   26    24 S   HC   HB22    34     1.09448   111.22973   173.47123
   27    22 S   N    _N3_    24     1.38353   113.51513    39.02422
   28    27 S   H    _HN3    25     1.01619   119.50626    -3.69030
   29    24 S   S    _SG2    35     1.82980   113.79875   -63.37986
   30    27 S   CT   _CA3    26     1.45281   123.24776   176.95535
   31    30 S   HC   HA31    27     1.09548   107.57172   -63.23353
   32    30 S   HC   HA32    28     1.09555   107.92146    53.20618
   33    29 S   CT   _C18    36     1.82599   100.25442   -72.79851
   34    33 S   HC   _H3_    37     1.09702   107.69527    57.58909
   35    30 S   CO3  _C3_    29     1.52963   114.04004   175.17578
   36    35 S   O2Z  _O31    30     1.26381   116.03700     0.16071
   37    35 S   O2Z  _O32    31     1.26420   114.42681  -179.80517
   38    33 S   CT   _C17    38     1.52578   117.35678   -66.14782
   39    38 S   HC   _H37    39     1.09567   109.76921    89.99658
   40    38 S   CO4  _C8_    40     1.50719   100.93610  -155.20596
   41    40 S   O    _O20    41     1.22148   125.46979  -161.38591
   42    38 S   CT   _C21    76     1.52419   117.39593   -37.13302
   43    42 S   HC   _H43    77     1.09547   111.86501   -52.16830
   44    42 S   HC   _H44    78     1.09600   110.47258  -171.25987
   45    42 S   HC   _H45    79     1.09383   111.59131    69.47851
   46    40 S   OS   _O22    42     1.36545   110.20699    20.41745
   47    33 S   CO   _C19    43     1.52394   111.69545   175.91692
   48    47 S   HC   _H39    44     1.09921   112.34723    43.97097
   49    47 S   OS   _O23    45     1.43038   109.13036   -78.89860
   50    49 S   CM   _C9_    46     1.36900   112.96962  -179.62258
   51    50 S   HC   _H25    47     1.08194   114.61975   -20.90890
   52    50 S   CM   _C6_    48     1.33547   122.42041   159.36918
   53    52 S   CO4  _C7_    49     1.47339   121.13982  -178.87031
   54    53 S   O    _O19    50     1.21811   126.76139     0.92662
   55    53 S   OS   _O21    51     1.36070   107.72007  -179.77186
   56    55 S   CT   _C15    52     1.43074   111.70905     4.03469
   57    56 S   HC   _H35    53     1.09517   109.68373  -130.31716
   58    56 S   CM   _C5_    54     1.49614   110.80522   105.93938
   59    58 S   CM   _C4_    55     1.33864   111.31946  -123.34462
   60    59 S   CT   _C10    56     1.48993   124.47759   178.15326
   61    60 S   HC   _H26    57     1.09584   108.77482   107.18847
   62    60 S   HC   _H27    58     1.09562   110.20731  -135.12745
   63    59 S   CT   _C11    71     1.49330   112.59526    -1.32751
   64    63 S   HC   _H28    72     1.09423   111.51807   130.73802
   65    63 S   HC   _H29    73     1.09567   109.66986  -109.01727
   66    60 S   CT   _C12    59     1.53279   111.62921   -13.95619
   67    66 S   HC   _H30    60     1.09593   109.53738   165.15816
   68    66 S   HC   _H31    61     1.09767   109.52288   -77.99085
   69    52 S   CT   _C16    74     1.48899   128.88194    -0.49732
   70    69 S   HC   _H36    75     1.09649   109.68815   -66.56273
   71    66 S   CT   _C13    62     1.53088   111.66460    43.02731
   72    71 S   HC   _H32    63     1.09834   108.74827    63.22922
   73    71 S   HC   _H33    64     1.09674   109.50148   179.42088
   74    58 S   CT   _C14    65     1.50218   124.59023    56.13089
   75    74 S   HC   _H34    66     1.09812   107.42180   -74.31639
   76    74 S   CT   _C20    67     1.52972   112.67484    44.44554
   77    76 S   HC   _H40    68     1.09580   111.46491    58.18505
   78    76 S   HC   _H41    69     1.09524   111.24884   -62.31545
   79    76 S   HC   _H42    70     1.09545   110.68595   178.38881
  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
  14   8   2   1   1  11   8   9   3   5   2   1   1   4   5   2
   5   9   3  12   8   3   8  13   6  19  15  13   6   5   6   3
   2   8   5   4   2   1   8   4   3   5   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50  
   48    49    50    51    52  
   49    50  
   50    51    52    53    69  
   51    52    53    54    55    56    63    69    70  
   52    53    69  
   53    54    55    56    57    58    59    63    64    65    69    70  
   54    55    56    57    58    63    69    70  
   55    56    69  
   56    57    58    59    74    63    69    70  
   57    58    59    60    71    74    75    76    63    64    65    69    70  
   58    59    74    63    69    70  
   59    60    61    62    66    71    72    73    74    75    76    77    78    79    63    64    65    69    70  
   60    61    62    66    67    68    71    74    75    76    63    64    65    69    70  
   61    62    66    67    68    71    72    73    74    63    64    65    69  
   62    66    67    68    71    63  
   66    67    68    71    63  
   64    65    69    70    66    74  
   65    69    70  
   69    70  
   67    68    71    72    73    74    75    76  
   68    71    72    73    74  
   71    72    73    74  
   70    74  
    0  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   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   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   268.000  1.529
   33    47   250.000  1.527
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    69   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.510
   56    69   268.000  1.529
   58    59   549.000  1.340
   58    74   317.000  1.510
   59    60   317.000  1.510
   59    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   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   340.000  1.090
   74    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    95.00000  111.08000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    75.00000  109.43000
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    69    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    69    56    70.00000  112.02700
   52    69    63    70.00000  112.02700
   52    69    70    35.00000  109.50000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    85.00000  110.90400
   55    56    69    50.00000  109.50000
   56    58    59    70.00000  124.00000
   56    58    74    65.00000  117.92700
   56    69    63    58.35000  112.70000
   56    69    70    37.50000  110.70000
   58    56    57    35.00000  109.50000
   58    59    60    70.00000  124.00000
   58    59    63    70.00000  124.00000
   58    74    71    70.00000  112.02700
   58    74    75    35.00000  109.50000
   58    74    76    70.00000  112.02700
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    66    70.00000  112.02700
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    69    70.00000  112.02700
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    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    37.50000  110.70000
   71    74    76    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    58    59    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   63    59    60    65.00000  117.92700
   63    69    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    52    53    65.00000  116.34900
   69    56    57    37.50000  110.70000
   69    56    58    70.00000  112.02700
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  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   0.15000  1.0 3.0
   34    33    47    46   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.62750  1.0 1.0
   38    33    47    49  -0.30950 -1.0 2.0
   38    33    47    49   0.27300  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -2.60950  1.0 1.0
   40    46   -47    33   1.40200 -1.0 2.0
   40    46   -47    33   0.21950  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -1.83450  1.0 1.0
   40    46    47    49  -0.02700 -1.0 2.0
   40    46    47    49  -0.20100  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50  -0.48150  1.0 1.0
   46    47    49    50   0.09250 -1.0 2.0
   46    47    49    50  -0.12850  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   3.97050  1.0 1.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    69   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    69    56   0.09850  1.0 1.0
   50    52    69    56   0.15250 -1.0 2.0
   50    52    69    56  -0.50650  1.0 3.0
   50    52    69    63   0.09850  1.0 1.0
   50    52    69    63   0.15250 -1.0 2.0
   50    52    69    63  -0.50650  1.0 3.0
   50    52    69    70   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    69   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   53    52   -69    56   0.09700  1.0 1.0
   53    52   -69    56   0.15600 -1.0 2.0
   53    52   -69    56  -0.50800  1.0 3.0
   53    52    69    63   0.09700  1.0 1.0
   53    52    69    63   0.15600 -1.0 2.0
   53    52    69    63  -0.50800  1.0 3.0
   53    52    69    70   0.15000  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.82050  1.0 1.0
   53    55    56    58   0.00600 -1.0 2.0
   53    55    56    58   0.04400  1.0 3.0
   53    55   -56    69  -0.25900  1.0 1.0
   53    55   -56    69  -0.47000 -1.0 2.0
   53    55   -56    69   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.39000  1.0 1.0
   55    56    58    59  -0.05800 -1.0 2.0
   55    56    58    59  -0.55150  1.0 3.0
   55    56    58    74   0.09700  1.0 1.0
   55    56    58    74   0.15600 -1.0 2.0
   55    56    58    74  -0.50800  1.0 3.0
   55    56   -69    52   0.61850  1.0 1.0
   55    56   -69    52  -0.22750 -1.0 2.0
   55    56   -69    52   0.15300  1.0 3.0
   55    56    69    63   0.62750  1.0 1.0
   55    56    69    63  -0.30950 -1.0 2.0
   55    56    69    63   0.27300  1.0 3.0
   55    56    69    70   0.23400  1.0 3.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58   -59    63   7.00000 -1.0 2.0
   56    58    74    71   0.46850  1.0 1.0
   56    58    74    71   0.08550 -1.0 2.0
   56    58    74    71   0.09800  1.0 3.0
   56    58    74    75   0.34800  1.0 3.0
   56    58    74    76   0.46850  1.0 1.0
   56    58    74    76   0.08550 -1.0 2.0
   56    58    74    76   0.09800  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    74   0.34800  1.0 3.0
   57    56    69    52   0.15000  1.0 3.0
   57    56    69    63   0.15000  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   58    56    69    52   0.31000  1.0 1.0
   58    56    69    52   0.14700 -1.0 2.0
   58    56    69    52   0.07550  1.0 3.0
   58    56   -69    63   0.34400  1.0 1.0
   58    56   -69    63   0.09450 -1.0 2.0
   58    56   -69    63   0.11100  1.0 3.0
   58    56    69    70   0.15000  1.0 3.0
   58    59    60    61   0.00000  1.0 1.0
   58    59    60    62   0.00000  1.0 1.0
   58    59    60    66   0.09850  1.0 1.0
   58    59    60    66   0.15250 -1.0 2.0
   58    59    60    66  -0.50650  1.0 3.0
   58    59    63    64   0.00000  1.0 1.0
   58    59    63    65   0.00000  1.0 1.0
   58    59   -63    69   0.09850  1.0 1.0
   58    59   -63    69   0.15250 -1.0 2.0
   58    59   -63    69  -0.50650  1.0 3.0
   58    74    76    77   0.15000  1.0 3.0
   58    74    76    78   0.15000  1.0 3.0
   58    74    76    79   0.15000  1.0 3.0
   59    58    74    71   0.09850  1.0 1.0
   59    58    74    71   0.15250 -1.0 2.0
   59    58    74    71  -0.50650  1.0 3.0
   59    58    74    75   0.00000  1.0 1.0
   59    58    74    76   0.09850  1.0 1.0
   59    58    74    76   0.15250 -1.0 2.0
   59    58    74    76  -0.50650  1.0 3.0
   59    60    66    67   0.15000  1.0 3.0
   59    60    66    68   0.15000  1.0 3.0
   59    60   -66    71   0.34400  1.0 1.0
   59    60   -66    71   0.09450 -1.0 2.0
   59    60   -66    71   0.11100  1.0 3.0
   59    63    69    52   0.31000  1.0 1.0
   59    63    69    52   0.14700 -1.0 2.0
   59    63    69    52   0.07550  1.0 3.0
   59    63   -69    56   0.34400  1.0 1.0
   59    63   -69    56   0.09450 -1.0 2.0
   59    63   -69    56   0.11100  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   60    59    63    64   0.34800  1.0 3.0
   60    59    63    65   0.34800  1.0 3.0
   60    59    63    69   0.46850  1.0 1.0
   60    59    63    69   0.08550 -1.0 2.0
   60    59    63    69   0.09800  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.56750  1.0 1.0
   60    66    71    74  -0.07550 -1.0 2.0
   60    66    71    74   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   66    71   -74    58   0.34400  1.0 1.0
   66    71   -74    58   0.09450 -1.0 2.0
   66    71   -74    58   0.11100  1.0 3.0
   66    71    74    75   0.15000  1.0 3.0
   66    71    74    76   0.56750  1.0 1.0
   66    71    74    76  -0.07550 -1.0 2.0
   66    71    74    76   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    76    77   0.15000  1.0 3.0
   71    74    76    78   0.15000  1.0 3.0
   71    74    76    79   0.15000  1.0 3.0
   72    71    74    58   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   73    71    74    58   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   74    58   -59    60   7.00000 -1.0 2.0
   74    58    59    63   7.00000 -1.0 2.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    79   0.15000  1.0 3.0
   63    59    60    61   0.34800  1.0 3.0
   63    59    60    62   0.34800  1.0 3.0
   63    59    60    66   0.46850  1.0 1.0
   63    59    60    66   0.08550 -1.0 2.0
   63    59    60    66   0.09800  1.0 3.0
   64    63    69    52   0.15000  1.0 3.0
   64    63    69    56   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   65    63    69    52   0.15000  1.0 3.0
   65    63    69    56   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   69    52    53    54  -0.64400  1.0 1.0
   69    52    53    54   0.26850 -1.0 2.0
   69    52   -53    55  -0.15000  1.0 1.0
   69    52   -53    55   0.89550 -1.0 2.0
   69    52   -53    55  -0.06900  1.0 3.0
   69    56   -58    59   0.09850  1.0 1.0
   69    56   -58    59   0.15250 -1.0 2.0
   69    56   -58    59  -0.50650  1.0 3.0
   69    56    58    74   0.46850  1.0 1.0
   69    56    58    74   0.08550 -1.0 2.0
   69    56    58    74   0.09800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  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    46    40    41  10.50000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    69    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   56    74    58    59   1.10000 -1.0 2.0
   60    63    59    58   1.10000 -1.0 2.0
END
