* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    145    227     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    45.22845   106.26996
    3     1 S   H    _H1_     3     1.02165    67.67854  -100.07256
    4     1 S   H    _H2_     4     1.02076   104.74639     4.37359
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C15    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H4_    37     1.09669   107.24352    40.94788
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CA   _C16    38     1.51033   112.65452   -79.97726
   39    33 S   CM   _C14    52     1.48663   107.78206   155.09400
   40    38 S   CA   _C17    39     1.40564   119.63809   119.44661
   41    40 S   HA   _H12    40     1.08747   120.13940    -0.01978
   42    39 S   CM   _C13    53     1.33816   130.15053    35.25875
   43    40 S   CA   _C18    41     1.39665   120.61821  -180.00000
   44    43 S   HA   _H13    42     1.08435   120.90180  -179.98022
   45    42 S   OS   _O33    54     1.39364   114.86029  -179.96574
   46    42 S   OH   _O36    77     1.36953   126.01695    -1.36329
   47    46 S   HO   _H17    78     0.96640   110.49801  -179.97202
   48    43 S   CA   _C19    43     1.37972   117.61962    -0.00000
   49    45 S   CT   _C12    55     1.44045   103.57415   -13.36850
   50    49 S   HC   _H10    56     1.09411   108.84221  -100.08713
   51    49 S   HC   _H11    57     1.09687   107.81052   142.94624
   52    48 S   CA   _C20    44     1.37619   121.76295    -0.00000
   53    39 S   CT   _C11    58     1.49369   121.29234  -144.46365
   54    53 S   HC   _H3_    59     1.07851   109.77785   -49.85892
   55    38 S   CA   _C21    45     1.39717   119.72644   -60.54967
   56    55 S   HA   _H14    46     1.08428   121.38224    -0.02798
   57    52 S   OS   _O34    47     1.36124   112.32732   180.00000
   58    53 S   CT   _C10    60     1.52548   112.50007    73.16089
   59    58 S   HC   _H8_    61     1.09671   109.69551    75.23701
   60    58 S   HC   _H9_    62     1.09634   109.69989   -40.84295
   61    57 S   CO   _C22    48     1.44265   101.02450     0.05234
   62    61 S   HC   _H15    49     1.09651   108.61426  -120.89786
   63    61 S   HC   _H16    50     1.09593   108.67734   120.91476
   64    58 S   CA   _C9_    63     1.50597   111.77514  -162.83884
   65    48 S   OS   _O35    51     1.36170   125.94016  -180.00000
   66    64 S   CA   _C4_    64     1.40571   119.61113    90.03755
   67    66 S   HA   _H5_    65     1.08766   120.13571    -0.06561
   68    66 S   CA   _C5_    66     1.39771   120.58489   179.98022
   69    68 S   HA   _H6_    67     1.08346   120.81892   179.96044
   70    68 S   CA   _C6_    68     1.37918   117.62357     0.00000
   71    70 S   CA   _C7_    69     1.37615   121.80268    -0.07402
   72    64 S   CA   _C8_    70     1.39722   119.78735   -90.00256
   73    72 S   HA   _H7_    71     1.08546   121.26383    -0.02798
   74    71 S   OS   _O37    72     1.36096   112.35464  -179.98022
   75    74 S   CO   _C23    73     1.44286   100.99400     0.04846
   76    75 S   HC   _H18    74     1.09558   108.66036  -120.91018
   77    75 S   HC   _H19    75     1.09641   108.63192   120.89173
   78    70 S   OS   _O38    76     1.36085   125.91571  -179.92867
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  16   6   2   1   1  12  15   8   4   9   7   3   8   3   1   8
   8   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9
   1   8   4   7   3   8   7   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    39    42    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    43    52    55    56    39    42    45    49    53    54    58    46  
   38    40    55    39    42    53  
   36    37  
   37  
    0  
   40    41    43    44    48    52    55    56    57    39    42    53  
   42    45    49    50    51    53    54    58    59    60    64    46    47    40    55  
   41    43    44    48    52    55    56    65  
   43    44    48    55  
   45    49    50    51    53    54    58    46    47  
   44    48    52    55    57    61    65  
   48    52    65  
   49    50    51    53    54    58    46    47  
   47    49    53  
    0  
   52    55    56    57    61    62    63    65  
   50    51    53    54    58    59    60    64  
   51    53    54    58  
   53    54    58  
   55    56    57    61    62    63    65  
   54    58    59    60    64    66    72  
   58    59    60    64  
   56    57    61    65  
   57  
   61    62    63    65  
   59    60    64    66    67    68    71    72    73  
   60    64    66    72  
   64    66    72  
   62    63    65  
   63    65  
   65  
   66    67    68    69    70    71    72    73    74  
    0  
   67    68    69    70    71    72    73    78  
   68    69    70    72  
   69    70    71    72    74    75    78  
   70    71    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.005000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    55   469.000  1.400
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    52   469.000  1.400
   48    65   450.000  1.364
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   320.000  1.380
   39    42   549.000  1.340
   39    53   317.000  1.510
   42    45   440.000  1.360
   42    46   510.000  1.338
   45    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    66   469.000  1.400
   64    72   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    78   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
   46    47   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    53    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    43    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    48    63.00000  120.00000
   43    40    41    35.00000  120.00000
   43    48    52    63.00000  120.00000
   43    48    65    70.00000  120.00000
   48    43    44    35.00000  120.00000
   48    52    55    63.00000  120.00000
   48    52    57    70.00000  120.00000
   48    65    61   100.00000  112.36700
   52    55    56    35.00000  120.00000
   52    57    61   100.00000  112.36700
   55    38    40    63.00000  120.00000
   57    52    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    65    92.60000  111.55000
   63    61    62    33.00000  109.50000
   65    48    52    70.00000  120.00000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    45    80.00000  120.01400
   39    42    46    80.00000  121.38400
   39    53    49    70.00000  112.02700
   39    53    54    35.00000  109.50000
   39    53    58    70.00000  112.02700
   42    45    49    90.00000  111.18400
   42    46    47    70.00000  107.45700
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    53    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    39    42    70.00000  124.00000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    64    66    70.00000  120.00000
   58    64    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    78    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    78    75   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    74    75   100.00000  112.36700
   72    64    66    63.00000  120.00000
   74    71    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    70    71    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   46    42    45   115.00000  116.36000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    53   0.30250  1.0 1.0
   29    33    39    53  -0.14950 -1.0 2.0
   29    33    39    53   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    42    45   7.00000 -1.0 2.0
   33    39    42    46   7.00000 -1.0 2.0
   33    39    53    49   0.46850  1.0 1.0
   33    39    53    49   0.08550 -1.0 2.0
   33    39    53    49   0.09800  1.0 3.0
   33    39    53    54   0.34800  1.0 3.0
   33    39    53    58   0.46850  1.0 1.0
   33    39    53    58   0.08550 -1.0 2.0
   33    39    53    58   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    53   0.34800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    53   0.09700  1.0 1.0
   38    33    39    53   0.15600 -1.0 2.0
   38    33    39    53  -0.50800  1.0 3.0
   38    40    43    44   3.62500 -1.0 2.0
   38    40    43    48   3.62500 -1.0 2.0
   40    38    55    52   3.62500 -1.0 2.0
   40    38    55    56   3.62500 -1.0 2.0
   40    43   -48    52   3.62500 -1.0 2.0
   40    43    48    65   3.62500 -1.0 2.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    48   3.62500 -1.0 2.0
   43    48    52    55   3.62500 -1.0 2.0
   43    48    52    57   3.62500 -1.0 2.0
   43    48    65    61   1.63200 -1.0 2.0
   44    43    48    52   3.62500 -1.0 2.0
   44    43    48    65   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -57    61   1.63200 -1.0 2.0
   52    48   -65    61   1.63200 -1.0 2.0
   52    57    61    62   0.08050  1.0 3.0
   52    57    61    63   0.08050  1.0 3.0
   52    57   -61    65  -0.25600  1.0 1.0
   52    57   -61    65  -0.40050 -1.0 2.0
   52    57   -61    65   0.34700  1.0 3.0
   55    38    40    41   3.62500 -1.0 2.0
   55    38   -40    43   3.62500 -1.0 2.0
   55    52    57    61   1.63200 -1.0 2.0
   57    52    55    38   3.62500 -1.0 2.0
   57    52    55    56   3.62500 -1.0 2.0
   57    61   -65    48  -0.25600  1.0 1.0
   57    61   -65    48  -0.40050 -1.0 2.0
   57    61   -65    48   0.34700  1.0 3.0
   62    61    65    48   0.08050  1.0 3.0
   63    61    65    48   0.08050  1.0 3.0
   65    48    52    55   3.62500 -1.0 2.0
   65    48   -52    57   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   39    42   -45    49  -2.26850  1.0 1.0
   39    42   -45    49   3.39050 -1.0 2.0
   39    42    46    47  -0.66100  1.0 1.0
   39    42    46    47   1.20850 -1.0 2.0
   39    42    46    47  -0.36000  1.0 3.0
   39    53    58    59   0.15000  1.0 3.0
   39    53    58    60   0.15000  1.0 3.0
   39    53    58    64   0.21200  1.0 1.0
   39    53    58    64   0.16900 -1.0 2.0
   39    53    58    64  -1.15100  1.0 3.0
   42    39   -53    49   0.09850  1.0 1.0
   42    39   -53    49   0.15250 -1.0 2.0
   42    39   -53    49  -0.50650  1.0 3.0
   42    39    53    54   0.00000  1.0 1.0
   42    39    53    58   0.09850  1.0 1.0
   42    39    53    58   0.15250 -1.0 2.0
   42    39    53    58  -0.50650  1.0 3.0
   42    45    49    50   0.08050  1.0 3.0
   42    45    49    51   0.08050  1.0 3.0
   42    45   -49    53  -0.46850  1.0 1.0
   42    45   -49    53   0.09300 -1.0 2.0
   42    45   -49    53  -0.12850  1.0 3.0
   45    42    46    47   2.00000 -1.0 2.0
   45    49   -53    39   0.61850  1.0 1.0
   45    49   -53    39  -0.22750 -1.0 2.0
   45    49   -53    39   0.15300  1.0 3.0
   45    49    53    54   0.23400  1.0 3.0
   45    49    53    58   0.62750  1.0 1.0
   45    49    53    58  -0.30950 -1.0 2.0
   45    49    53    58   0.27300  1.0 3.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64  -0.03700  1.0 1.0
   49    53    58    64   0.37200 -1.0 2.0
   49    53    58    64  -0.47300  1.0 3.0
   50    49    53    39   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    39   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    39   -42    45   7.00000 -1.0 2.0
   53    39    42    46   7.00000 -1.0 2.0
   53    58    64    66   0.04150 -1.0 2.0
   53    58    64    72   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   58    64    72    71   3.62500 -1.0 2.0
   58    64    72    73   3.62500 -1.0 2.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    72   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    72   0.00000  1.0 1.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   66    64    72    71   3.62500 -1.0 2.0
   66    64    72    73   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    78   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    78    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    78   3.62500 -1.0 2.0
   70    71   -72    64   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71   -74    75   1.63200 -1.0 2.0
   71    70   -78    75   1.63200 -1.0 2.0
   71    74    75    76   0.08050  1.0 3.0
   71    74    75    77   0.08050  1.0 3.0
   71    74   -75    78  -0.25600  1.0 1.0
   71    74   -75    78  -0.40050 -1.0 2.0
   71    74   -75    78   0.34700  1.0 3.0
   72    64    66    67   3.62500 -1.0 2.0
   72    64   -66    68   3.62500 -1.0 2.0
   72    71    74    75   1.63200 -1.0 2.0
   74    71    72    64   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    75   -78    70  -0.25600  1.0 1.0
   74    75   -78    70  -0.40050 -1.0 2.0
   74    75   -78    70   0.34700  1.0 3.0
   76    75    78    70   0.08050  1.0 3.0
   77    75    78    70   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    74   3.62500 -1.0 2.0
   46    42    45    49   2.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   40    55    38    33   4.00000 -1.0 2.0
   43    41    40    38   1.10000 -1.0 2.0
   48    44    43    40   1.10000 -1.0 2.0
   52    65    48    43   4.00000 -1.0 2.0
   55    57    52    48   4.00000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   33    53    39    42   1.10000 -1.0 2.0
   45    46    42    39   1.10000 -1.0 2.0
   66    72    64    58   4.00000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    78    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   71    73    72    64   1.10000 -1.0 2.0
END
