* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    229     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02127    69.67017   -97.42914
    3     1 S   H    _H1_     3     1.02124   104.06657     7.63473
    4     1 S   H    _H2_     4     1.02136    43.47814   110.14222
    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   _C12    36     1.83426    98.14559  -178.21567
   34    33 S   HC   _H3_    37     1.09688   106.66153   -35.45721
   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   CO4  _C11    38     1.52189   108.98590    80.00083
   39    38 S   O    _O34    39     1.22748   123.77346   -20.25662
   40    38 S   CA   _C8_    40     1.48061   116.97576   163.96568
   41    40 S   CA   _C7_    41     1.39717   121.00519   -12.30197
   42    41 S   CA   _C6_    42     1.40101   119.81790   177.89197
   43    42 S   HA   _H7_    43     1.08734   120.82518   179.86878
   44    41 S   CO4  _C14    54     1.48105   121.07606    -3.59249
   45    44 S   O    _O35    55     1.22825   119.45331   172.89014
   46    42 S   CA   _C5_    44     1.39551   120.15031     0.42151
   47    33 S   CT   _C13    56     1.53920   111.18652  -156.78911
   48    47 S   HC   _H10    57     1.11747   109.94457   -59.02545
   49    46 S   CA   _C10    45     1.39281   120.02618     0.13122
   50    49 S   HA   _H8_    46     1.08686   120.01675   179.95154
   51    46 S   CT   _C4_    50     1.49091   119.99705   179.86878
   52    51 S   HC   _H4_    51     1.09648   110.37712    90.03244
   53    51 S   HC   _H5_    52     1.09781   111.33084  -149.42697
   54    51 S   HC   _H6_    53     1.09794   111.28768   -30.46368
   55    47 S   CA   _C15    58     1.52336   113.44445    60.16887
   56    40 S   CA   _C9_    47     1.40128   119.21208   166.34614
   57    55 S   CA   _C16    59     1.39392   119.93181  -121.16320
   58    56 S   OH   _O33    48     1.36432   122.89709     0.82306
   59    58 S   HO   _H9_    49     0.96962   110.08165     0.98873
   60    57 S   CA   _C17    60     1.39506   120.11495  -179.96574
   61    60 S   HA   _H11    61     1.08768   119.34768  -180.00000
   62    57 S   CT   _C25    75     1.49402   121.00716     0.00000
   63    62 S   HC   _H15    76     1.09555   110.26255   -89.93992
   64    62 S   HC   _H16    77     1.09641   111.14034    30.55159
   65    62 S   HC   _H17    78     1.09700   111.13501   149.50444
   66    60 S   CA   _C18    62     1.39979   119.92418     0.02798
   67    66 S   CA   _C19    63     1.39707   119.91886    -0.02798
   68    55 S   CA   _C20    64     1.39568   119.89473    58.93081
   69    67 S   CO4  _C21    67     1.47617   120.43927   179.96574
   70    69 S   O    _O37    68     1.22497   123.13497  -179.96044
   71    68 S   OH   _O36    65     1.36439   118.22188    -0.08623
   72    71 S   HO   _H12    66     0.96859   110.08253   180.00000
   73    69 S   CM   _C22    69     1.47750   117.63140     0.10468
   74    73 S   HC   _H13    70     1.08517   117.42939   179.86583
   75    73 S   CM   _C23    71     1.33329   121.89171    -0.03426
   76    75 S   HC   _H14    72     1.08528   120.66587  -179.91153
   77    66 S   CO4  _C24    73     1.47576   119.54162  -179.96044
   78    77 S   O    _O38    74     1.22469   121.80825    -0.07402
  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   9   5   4   3
  13   7   2   1   1  11   4  12  12  12   4   8   3   8   8   3
   8   3   4   2   1   1  13   2  11   1   1  12   4   5   2   1
   1  10  10   6   7   3   1   1   5   3   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    44    47    48    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    44    45    47    48    55    57    68  
   38    39    40    44    47    48    55  
   36    37  
   37  
    0  
   39    40    41    42    49    56    58    44    47    48    55  
   40    41    56    47  
   41    42    43    46    49    50    56    58    59    44    45    47  
   42    43    46    49    56    58    51    44    45    47    48    55  
   43    46    49    50    56    51    52    53    54    44    45    47  
   46    49    51    44  
   45    47    48    55    57    68    46    56  
   47    48    55  
   49    50    56    58    51    52    53    54  
   48    55    57    60    67    68    71    62  
   55    57    68  
   50    56    58    59    51    52    53    54  
   56    58    51  
   52    53    54    56  
   53    54  
   54  
    0  
   57    60    61    66    67    68    71    72    69    62    63    64    65  
   58    59  
   60    61    66    67    68    71    77    62    63    64    65  
   59  
    0  
   61    66    67    68    69    75    77    78    62    63    64    65  
   66    67    77    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    68    71    69    70    73    75    76    77    78  
   68    71    72    69    70    73    74    75    77    78  
   71    72    69    70    73    77  
   70    73    74    75    76    77    71  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    51   317.000  1.510
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    55   317.000  1.510
   55    57   469.000  1.400
   55    68   469.000  1.400
   57    60   469.000  1.400
   57    62   317.000  1.510
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    77   310.000  1.470
   67    68   469.000  1.400
   67    69   310.000  1.470
   68    71   450.000  1.364
   71    72   553.000  0.945
   69    70   570.000  1.229
   69    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.462
   77    78   570.000  1.229
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    55    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    56    49    63.00000  120.00000
   40    56    58    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    47    65.00000  115.47100
   42    46    49    63.00000  120.00000
   42    46    51    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   49    56    58    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    58    59    35.00000  113.00000
   51    46    49    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    60.00000  119.52600
   44    47    48    35.00000  109.50000
   44    47    55    70.00000  110.93000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   47    55    57    70.00000  120.00000
   47    55    68    70.00000  120.00000
   55    47    48    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    68    67    63.00000  120.00000
   55    68    71    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    66    67    63.00000  120.00000
   60    66    77    60.00000  119.52600
   66    60    61    35.00000  120.00000
   66    67    68    63.00000  120.00000
   66    67    69    60.00000  119.52600
   66    77    75    65.00000  117.02400
   66    77    78    75.00000  123.78400
   67    68    71    70.00000  120.00000
   67    69    70    75.00000  123.78400
   67    69    73    65.00000  117.02400
   68    55    57    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    67    68    60.00000  119.52600
   69    73    74    40.00000  117.72500
   69    73    75    65.00000  118.96000
   73    69    70    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    65.00000  118.96000
   75    73    74    35.00000  120.00000
   75    77    78    80.00000  123.72100
   77    66    67    60.00000  119.52600
   77    75    76    40.00000  117.72500
   62    57    60    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    55   0.56750  1.0 1.0
   29    33    47    55  -0.07550 -1.0 2.0
   29    33    47    55   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   33    47    55    57   0.04150 -1.0 2.0
   33    47    55    68   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    55   0.43200  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    55   0.56750  1.0 1.0
   38    33    47    55  -0.07550 -1.0 2.0
   38    33    47    55   0.20000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    56    49   3.62500 -1.0 2.0
   38    40    56    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    47   2.26350  1.0 1.0
   40    41    44    47   0.76750 -1.0 2.0
   40    41    44    47   0.22500  1.0 3.0
   40    56    58    59   0.84100 -1.0 2.0
   41    40    56    49   3.62500 -1.0 2.0
   41    40    56    58   3.62500 -1.0 2.0
   41    42   -46    49   3.62500 -1.0 2.0
   41    42    46    51   3.62500 -1.0 2.0
   41    44   -47    33   0.05850 -1.0 2.0
   41    44   -47    33   0.17250  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    55   0.65300  1.0 1.0
   41    44    47    55  -0.03850 -1.0 2.0
   41    44    47    55   0.33900  1.0 3.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    47   2.26350  1.0 1.0
   42    41    44    47   0.76750 -1.0 2.0
   42    41    44    47   0.22500  1.0 3.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.00000  1.0 1.0
   42    46    51    54   0.00000  1.0 1.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    49   -56    40   3.62500 -1.0 2.0
   46    49    56    58   3.62500 -1.0 2.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    53   0.00000  1.0 1.0
   49    46    51    54   0.00000  1.0 1.0
   49    56    58    59   0.84100 -1.0 2.0
   50    49    56    40   3.62500 -1.0 2.0
   50    49    56    58   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    44   3.62500 -1.0 2.0
   51    46    49    50   3.62500 -1.0 2.0
   51    46    49    56   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    47    55    57   0.04300 -1.0 2.0
   44    47    55    68   0.04300 -1.0 2.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    55   0.30150 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
   47    55    57    60   3.62500 -1.0 2.0
   47    55    57    62   3.62500 -1.0 2.0
   47    55    68    67   3.62500 -1.0 2.0
   47    55    68    71   3.62500 -1.0 2.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    68   0.00000  1.0 1.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    66   3.62500 -1.0 2.0
   55    57    62    63   0.00000  1.0 1.0
   55    57    62    64   0.00000  1.0 1.0
   55    57    62    65   0.00000  1.0 1.0
   55    68    71    72   0.84100 -1.0 2.0
   57    55    68    67   3.62500 -1.0 2.0
   57    55    68    71   3.62500 -1.0 2.0
   57    60   -66    67   3.62500 -1.0 2.0
   57    60    66    77   3.62500 -1.0 2.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    69   3.62500 -1.0 2.0
   60    66    77    75  -0.11500  1.0 1.0
   60    66    77    75   1.10450 -1.0 2.0
   60    66    77    75  -0.48050  1.0 3.0
   60    66    77    78   1.05000 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    77   3.62500 -1.0 2.0
   66    67   -68    55   3.62500 -1.0 2.0
   66    67    68    71   3.62500 -1.0 2.0
   66    67    69    70   1.05000 -1.0 2.0
   66    67    69    73  -0.11500  1.0 1.0
   66    67    69    73   1.10450 -1.0 2.0
   66    67    69    73  -0.48050  1.0 3.0
   67    66    77    75  -0.11500  1.0 1.0
   67    66    77    75   1.10450 -1.0 2.0
   67    66    77    75  -0.48050  1.0 3.0
   67    66    77    78   1.05000 -1.0 2.0
   67    68    71    72   0.84100 -1.0 2.0
   67    69    73    74   1.64500 -1.0 2.0
   67    69   -73    75  -1.65800  1.0 1.0
   67    69   -73    75   0.77650 -1.0 2.0
   68    55   -57    60   3.62500 -1.0 2.0
   68    55    57    62   3.62500 -1.0 2.0
   68    67    69    70   1.05000 -1.0 2.0
   68    67    69    73  -0.11500  1.0 1.0
   68    67    69    73   1.10450 -1.0 2.0
   68    67    69    73  -0.48050  1.0 3.0
   69    67    68    55   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    77   7.00000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   1.00000 -1.0 2.0
   73    75   -77    66  -1.65800  1.0 1.0
   73    75   -77    66   0.77650 -1.0 2.0
   73    75    77    78   1.00000 -1.0 2.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    66   1.64500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   77    66    67    68   3.62500 -1.0 2.0
   77    66   -67    69   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    66   3.62500 -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
   33    40    38    39  10.50000 -1.0 2.0
   41    56    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   49    51    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   49    58    56    40   4.00000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
   57    68    55    47   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   67    77    66    60   4.00000 -1.0 2.0
   68    69    67    66   4.00000 -1.0 2.0
   67    71    68    55   4.00000 -1.0 2.0
   67    73    69    70  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   66    75    77    78  10.50000 -1.0 2.0
END
