* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02074    87.03585   -73.79093
    3     1 S   H    _H1_     3     1.02069    93.34114    34.77761
    4     1 S   H    _H2_     4     1.02094    33.22795   154.56219
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.88496    96.15295  -158.11746
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C16    37     1.54934   102.80513   -40.01019
   38    37 S   O    _O34    38     1.23082   122.65418    93.40921
   39    33 S   CT   _C10    53     1.58548   110.75398    81.85653
   40    37 S   CM   _C15    39     1.49628   119.07147   -82.20218
   41    39 S   CM   _C20    54     1.51786   113.45834   -49.79395
   42    41 S   HC   _H23    55     1.08692   117.10441   -88.50784
   43    39 S   CT   _C19    59     1.55114   111.61994  -169.67349
   44    43 S   HC   _H20    60     1.08105   108.61496   -55.89203
   45    43 S   HC   _H21    61     1.08056   108.67368  -175.91544
   46    43 S   HC   _H22    62     1.08090   108.64936    64.06481
   47    40 S   CM   _C14    40     1.33897   121.87973    -5.60892
   48    41 S   CM   _C21    56     1.33703   124.03669    91.47434
   49    48 S   HC   _H24    57     1.08503   120.39596  -179.96574
   50    48 S   HC   _H25    58     1.08411   121.53272     0.04846
   51    40 S   OS   _O35    76     1.38181   117.50624   172.30247
   52    47 S   CO4  _C13    41     1.48617   120.49077    -3.70306
   53    52 S   O    _O33    42     1.22828   119.58308   163.63947
   54    47 S   OS   _O36    71     1.37951   121.42240   176.10394
   55    51 S   CT   _C17    77     1.40613   112.56483    92.09601
   56    55 S   HC   _H14    78     1.09275   109.55289   179.96574
   57    55 S   HC   _H15    79     1.09360   109.51171    59.16287
   58    55 S   HC   _H16    80     1.09306   108.97490   -60.37614
   59    33 S   CT   _C12    43     1.56006   110.47001  -155.16503
   60    59 S   HC   _H13    44     1.10091   108.42861   170.93048
   61    54 S   CT   _C18    72     1.40683   112.65576   -89.97896
   62    61 S   HC   _H17    73     1.09169   109.53854   179.96574
   63    61 S   HC   _H18    74     1.09327   109.50382    59.20754
   64    61 S   HC   _H19    75     1.09250   108.98970   -60.36384
   65    59 S   CT   _C7_    45     1.54883   113.76616   -69.95301
   66    65 S   HC   _H3_    46     1.09715   109.40788    68.85140
   67    65 S   CT   _C8_    47     1.53128   111.60333   -51.94754
   68    67 S   HC   _H9_    48     1.09726   110.38433   -71.45494
   69    67 S   HC   _H10    49     1.09744   109.60353   172.53155
   70    65 S   CM   _C5_    63     1.50556   112.25788  -172.89450
   71    67 S   CT   _C9_    50     1.52362   112.88046    51.34025
   72    71 S   HC   _H11    51     1.09758   108.62625    69.78430
   73    71 S   HC   _H12    52     1.09917   108.23003  -176.64795
   74    70 S   CM   _C6_    64     1.34094   121.88178    60.14993
   75    74 S   HC   _H7_    65     1.08534   121.32706  -179.98022
   76    74 S   HC   _H8_    66     1.08445   121.38815    -0.07402
   77    70 S   CT   _C4_    67     1.49957   116.14824  -119.93074
   78    77 S   HC   _H4_    68     1.09448   110.31002   -89.97371
   79    77 S   HC   _H5_    69     1.09473   110.29706    29.92037
   80    77 S   HC   _H6_    70     1.09562   112.07804   149.98199
  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  12   5   4   3
  24   2   1   1  14   5  20  11  13   5   9   3   2   1  12   3
   1   1   6   9   4   5   3   2   1   1  10   4   3   2   1   1
  15   7   8   5   4   8   2   1   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    52    59    60    65    71    39    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    47    52    53    59    60    65    66    67    71    72    73    39    41    42    48    43    44    45    46    70    51  
   35    36  
   36  
    0  
   38    40    47    52    59    60    65    71    39    41    43    54    51    55  
   40    47    59    39    51  
   41    42    48    49    50    43    44    45    46    40    52    59    60    65    67    68    69    71    72    73  
   47    52    53    59    54    61    51    55    56    57    58  
   42    48    49    50    43    44    45    46    59    67    71    72    73  
   48    49    50    43    71  
   44    45    46    48    59    67    71    72    73  
   45    46    71  
   46    71  
   71  
   52    53    59    60    65    54    61    62    63    64    51    55  
   49    50    71  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    67    70    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    71    70    74    77  
   65    66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    71    72    73    70    74    75    76    77    78    79    80  
   67    68    69    71    70    74    77  
   68    69    71    72    73    70    74    77  
   69    71    72    73    70  
   71    72    73    70  
   74    75    76    77    78    79    80    71  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    47   549.000  1.340
   40    51   440.000  1.360
   47    52   320.000  1.462
   47    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    41   317.000  1.510
   39    43   268.000  1.529
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   70    74   549.000  1.340
   70    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    41    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    47    65.00000  118.96000
   37    40    51    85.00000  116.28000
   40    37    38    80.00000  123.72100
   40    47    52    65.00000  118.96000
   40    47    54    80.00000  120.01400
   40    51    55    90.00000  111.18400
   47    52    53    80.00000  123.72100
   47    52    59    65.00000  118.62400
   47    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    70    70.00000  112.02700
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    70    74    70.00000  124.00000
   65    70    77    65.00000  117.92700
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    39    41    70.00000  112.02700
   71    39    43    58.35000  112.70000
   73    71    72    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    41    42    35.00000  117.00000
   39    41    48    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    48    49    35.00000  120.00000
   41    48    50    35.00000  120.00000
   48    41    42    35.00000  120.00000
   50    48    49    35.00000  117.00000
   43    39    41    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    70.00000  112.02700
   70    74    75    35.00000  120.00000
   70    74    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    70    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    47    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    40    47    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    40    47  -0.33500  1.0 1.0
   33    37    40    47   1.06600 -1.0 2.0
   33    37    40    47  -0.14000  1.0 3.0
   33    37    40    51   0.32450 -1.0 2.0
   33    37    40    51   0.17400  1.0 3.0
   33    59    65    66   0.15000  1.0 3.0
   33    59    65    67   0.56750  1.0 1.0
   33    59    65    67  -0.07550 -1.0 2.0
   33    59    65    67   0.20000  1.0 3.0
   33    59    65    70   0.34400  1.0 1.0
   33    59    65    70   0.09450 -1.0 2.0
   33    59    65    70   0.11100  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    48   0.09850  1.0 1.0
   33    39    41    48   0.15250 -1.0 2.0
   33    39    41    48  -0.50650  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    71  -0.95700  1.0 1.0
   37    33    39    71  -0.18200 -1.0 2.0
   37    33    39    71   0.29450  1.0 3.0
   37    33    39    41  -0.98800  1.0 1.0
   37    33    39    41   0.48800 -1.0 2.0
   37    33    39    41   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    52   7.00000 -1.0 2.0
   37    40    47    54   7.00000 -1.0 2.0
   37    40    51    55   0.15100 -1.0 2.0
   38    37    40    47   1.00000 -1.0 2.0
   38    37    40    51  -0.11900  1.0 1.0
   38    37    40    51   0.76850 -1.0 2.0
   38    37    40    51   0.14100  1.0 3.0
   40    47    52    53   1.00000 -1.0 2.0
   40    47    52    59  -0.33500  1.0 1.0
   40    47    52    59   1.06600 -1.0 2.0
   40    47    52    59  -0.14000  1.0 3.0
   40    47    54    61  -2.26850  1.0 1.0
   40    47    54    61   3.39050 -1.0 2.0
   40    51    55    56   0.08050  1.0 3.0
   40    51    55    57   0.08050  1.0 3.0
   40    51    55    58   0.08050  1.0 3.0
   47    40    51    55  -2.26850  1.0 1.0
   47    40    51    55   3.39050 -1.0 2.0
   47    52   -59    33   0.65300  1.0 1.0
   47    52   -59    33  -0.03850 -1.0 2.0
   47    52   -59    33   0.33900  1.0 3.0
   47    52    59    60   0.00000  1.0 1.0
   47    52    59    65   0.65300  1.0 1.0
   47    52    59    65  -0.03850 -1.0 2.0
   47    52    59    65   0.33900  1.0 3.0
   47    54    61    62   0.08050  1.0 3.0
   47    54    61    63   0.08050  1.0 3.0
   47    54    61    64   0.08050  1.0 3.0
   52    47    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.11250  1.0 3.0
   52    59    65    67  -0.95700  1.0 1.0
   52    59    65    67  -0.18200 -1.0 2.0
   52    59    65    67   0.29450  1.0 3.0
   52    59    65    70  -0.98800  1.0 1.0
   52    59    65    70   0.48800 -1.0 2.0
   52    59    65    70   0.76800  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    40   0.65300  1.0 1.0
   59    33   -37    40  -0.03850 -1.0 2.0
   59    33   -37    40   0.33900  1.0 3.0
   59    33    39    71   0.56750  1.0 1.0
   59    33    39    71  -0.07550 -1.0 2.0
   59    33    39    71   0.20000  1.0 3.0
   59    33    39    41   0.34400  1.0 1.0
   59    33    39    41   0.09450 -1.0 2.0
   59    33    39    41   0.11100  1.0 3.0
   59    33    39    43   0.56750  1.0 1.0
   59    33    39    43  -0.07550 -1.0 2.0
   59    33    39    43   0.20000  1.0 3.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    69   0.15000  1.0 3.0
   59    65   -67    71   0.56750  1.0 1.0
   59    65   -67    71  -0.07550 -1.0 2.0
   59    65   -67    71   0.20000  1.0 3.0
   59    65    70    74   0.09850  1.0 1.0
   59    65    70    74   0.15250 -1.0 2.0
   59    65    70    74  -0.50650  1.0 3.0
   59    65    70    77   0.46850  1.0 1.0
   59    65    70    77   0.08550 -1.0 2.0
   59    65    70    77   0.09800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    39   0.56750  1.0 1.0
   65    67    71    39  -0.07550 -1.0 2.0
   65    67    71    39   0.20000  1.0 3.0
   65    70    74    75   7.00000 -1.0 2.0
   65    70    74    76   7.00000 -1.0 2.0
   65    70    77    78   0.34800  1.0 3.0
   65    70    77    79   0.34800  1.0 3.0
   65    70    77    80   0.34800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   66    65    70    77   0.34800  1.0 3.0
   67    65    70    74   0.09850  1.0 1.0
   67    65    70    74   0.15250 -1.0 2.0
   67    65    70    74  -0.50650  1.0 3.0
   67    65    70    77   0.46850  1.0 1.0
   67    65    70    77   0.08550 -1.0 2.0
   67    65    70    77   0.09800  1.0 3.0
   67    71   -39    33   0.56750  1.0 1.0
   67    71   -39    33  -0.07550 -1.0 2.0
   67    71   -39    33   0.20000  1.0 3.0
   67    71    39    41   0.34400  1.0 1.0
   67    71    39    41   0.09450 -1.0 2.0
   67    71    39    41   0.11100  1.0 3.0
   67    71    39    43   0.56750  1.0 1.0
   67    71    39    43  -0.07550 -1.0 2.0
   67    71    39    43   0.20000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    39   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    39   0.15000  1.0 3.0
   71    39    41    42   0.00000  1.0 1.0
   71    39    41    48   0.09850  1.0 1.0
   71    39    41    48   0.15250 -1.0 2.0
   71    39    41    48  -0.50650  1.0 3.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   72    71    39    43   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   73    71    39    43   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    41    48    49   7.00000 -1.0 2.0
   39    41    48    50   7.00000 -1.0 2.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   42    41    48    49   7.00000 -1.0 2.0
   42    41    48    50   7.00000 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    48   0.09850  1.0 1.0
   43    39    41    48   0.15250 -1.0 2.0
   43    39    41    48  -0.50650  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    71   0.34400  1.0 1.0
   70    65    67    71   0.09450 -1.0 2.0
   70    65    67    71   0.11100  1.0 3.0
   74    70    77    78   0.00000  1.0 1.0
   74    70    77    79   0.00000  1.0 1.0
   74    70    77    80   0.00000  1.0 1.0
   77    70    74    75   7.00000 -1.0 2.0
   77    70    74    76   7.00000 -1.0 2.0
   54    47    52    53  -0.11900  1.0 1.0
   54    47    52    53   0.76850 -1.0 2.0
   54    47    52    53   0.14100  1.0 3.0
   54    47    52    59   0.32450 -1.0 2.0
   54    47    52    59   0.17400  1.0 3.0
   51    40    47    52   7.00000 -1.0 2.0
   51    40    47    54   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    51    40    47   1.10000 -1.0 2.0
   52    54    47    40   1.10000 -1.0 2.0
   47    59    52    53  10.50000 -1.0 2.0
   39    42    41    48  15.00000 -1.0 2.0
   49    50    48    41  15.00000 -1.0 2.0
   65    77    70    74  15.00000 -1.0 2.0
   75    76    74    70  15.00000 -1.0 2.0
END
