* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    240     434
    1     0 S   NP   _N1_     1    31.92851   101.04720   -21.94495
    2     1 S   H    _HN1     2     1.02851    63.98361  -109.01921
    3     1 S   H    _H1_     3     1.02739    79.17237   135.48671
    4     1 S   H    _H2_     4     1.03482   171.11458   -84.47281
    5     1 S   CT   _CA1     5     1.50110    69.49477    18.07300
    6     5 S   HC   _HA1     6     1.09532   104.96393   126.31841
    7     5 S   CO3  _C1_     7     1.53809   113.24240     5.64976
    8     7 S   O2Z  _O11     8     1.26442   115.06162   -28.39056
    9     7 S   O2Z  _O12     9     1.26236   115.18153   151.16731
   10     5 S   CT   _CB1    10     1.53073   107.46941  -115.07410
   11    10 S   HC   HB11    11     1.09597   109.46667   -39.20811
   12    10 S   HC   HB12    12     1.09838   110.25986    76.33453
   13    10 S   CT   _CG1    13     1.53368   112.95243  -162.06913
   14    13 S   HC   HG11    14     1.09552   110.72952  -100.14002
   15    13 S   HC   HG12    15     1.09640   111.83526    19.27099
   16    13 S   C    _CD1    16     1.51483   109.86032   139.51555
   17    16 S   O    _OE1    17     1.22755   122.23773    98.12542
   18    16 S   N    _N2_    18     1.38378   112.14651   -79.26013
   19    18 S   H    _HN2    19     1.01833   119.02241    -4.77299
   20    18 S   CT1  _CA2    20     1.45954   123.49215   173.69833
   21    20 S   HC   _HA2    21     1.09654   108.75203    32.48141
   22    20 S   C    _C2_    22     1.53239   108.38493   -84.51818
   23    22 S   O    _O2_    23     1.23084   121.29147   150.49848
   24    20 S   CT   _CB2    32     1.53322   111.67546   156.16240
   25    24 S   HC   HB21    33     1.09281   109.49316    62.53800
   26    24 S   HC   HB22    34     1.09583   109.88700  -180.00000
   27    22 S   N    _N3_    24     1.38423   114.14418   -37.08352
   28    27 S   H    _HN3    25     1.01592   119.20880     2.63997
   29    24 S   S    _SG2    35     1.83218   111.07299   -60.45992
   30    27 S   CT   _CA3    26     1.45226   123.44518  -177.30398
   31    30 S   HC   HA31    27     1.09553   108.15633   -47.28657
   32    30 S   HC   HA32    28     1.09544   107.30330    69.12298
   33    29 S   CT   _C23    36     1.87812   103.19169   149.37768
   34    33 S   OM   _O38    37     1.32008   111.35446    36.88247
   35    30 S   CO3  _C3_    29     1.53037   114.24098  -169.42798
   36    35 S   O2Z  _O31    30     1.26445   116.31617     2.37389
   37    35 S   O2Z  _O32    31     1.26422   114.43445  -177.88650
   38    33 S   CM   _C6_    38     1.53096   108.00229   -85.80817
   39    33 S   CT   _C22    68     1.56766   108.39935   153.52837
   40    39 S   HC   _H4_    69     1.10010   110.12787  -161.18952
   41    38 S   CMA  _C7_    39     1.36284   126.71092  -108.34039
   42    41 S   OM   _O33    40     1.26953   129.89035   177.50739
   43    39 S   OH   _O39    70     1.43336   111.76438   -44.77505
   44    43 S   HO   _H16    71     0.97365   105.88259   -41.96887
   45    38 S   CO4  _C5_    74     1.50638   119.34087    70.79319
   46    45 S   O    _O41    75     1.23111   121.10992   -94.00818
   47    41 S   CT   _C8_    41     1.55465   118.72546    -1.88782
   48    45 S   CT   _C4_    76     1.50695   117.46267    85.57285
   49    48 S   HC   _H5_    77     1.09353   108.99713   129.78225
   50    48 S   HC   _H6_    78     1.09346   111.25645    10.79609
   51    48 S   HC   _H7_    79     1.09286   109.38249  -109.99181
   52    47 S   CO4  _C21    42     1.55062   110.70276  -100.67289
   53    52 S   O    _O34    43     1.23001   122.79328   -20.61092
   54    47 S   OH   _O40    72     1.43752   111.03651   143.07364
   55    54 S   HO   _H17    73     0.97474   105.97891    35.52807
   56    52 S   CA   _C20    44     1.49844   118.83424   161.00862
   57    56 S   CA   _C11    45     1.39718   119.17234    -9.18113
   58    56 S   CA   _C19    56     1.41356   121.66074   171.63562
   59    57 S   CA   _C12    46     1.40279   119.25217   179.63096
   60    59 S   HA   _H10    47     1.09038   118.48814  -178.93872
   61    58 S   OH   _O35    57     1.37593   120.81962    -0.63273
   62    61 S   HO   _H13    58     0.97306   109.46781     2.31342
   63    57 S   CT   _C10    63     1.50332   122.70544     2.25073
   64    63 S   HC   _H8_    64     1.09821   107.42428    97.98414
   65    63 S   HC   _H9_    65     1.09654   110.07955  -146.90477
   66    59 S   CA   _C13    48     1.40179   122.09655     1.12030
   67    47 S   CT   _C9_    66     1.53791   112.61303    23.07656
   68    67 S   HC   _H3_    67     1.09964   109.19123    66.23517
   69    66 S   CA   _C14    49     1.40572   119.39385   179.59797
   70    69 S   HA   _H11    50     1.08840   119.98795    -0.02798
   71    69 S   CA   _C15    51     1.39074   120.59852  -180.00000
   72    71 S   CA   _C16    52     1.38471   120.53066    -0.02798
   73    72 S   HA   _H12    53     1.08629   119.82912   180.00000
   74    71 S   OH   _O37    61     1.36579   121.19227   179.96574
   75    74 S   HO   _H15    62     0.97241   108.70967    -0.02798
   76    72 S   CA   _C17    54     1.39803   119.24373    -0.01978
   77    66 S   CA   _C18    55     1.41541   120.00086    -0.46436
   78    76 S   OH   _O36    59     1.37321   117.83564  -179.97202
   79    78 S   HO   _H14    60     0.97173   109.27483     0.02798
  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
  15   7   2   1   1  15  14   6  13   5   5   1   6   4  12   3
   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5   3
   2   8   1   1   8   4   7   7   4   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    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    41    67    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    63    67    68    39    40    43    44    45    46    48  
   38    41    67    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    67    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    63    64    65    67    68  
   43    44    47    63    67    68  
   42    47    52    53    56    63    67    68    54    55    45    46    48  
   47    52    67    54    45  
   44    47    63    67    68  
   67  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    63    64    65    67    68    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    59    77    58    61    63    67    68    54    55  
   56    57    58    67    54  
   55    56    63    67    68  
   67  
   57    59    60    66    76    77    58    61    62    63    64    65    67  
   59    60    66    69    77    58    61    63    64    65    67    68  
   61    62    78    63    59    66    69    72    76    77  
   60    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   62    66    76    77  
   77  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   317.000  1.522
   47    67   268.000  1.529
   47    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    58   469.000  1.400
   57    59   469.000  1.400
   57    63   317.000  1.510
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    58   469.000  1.400
   58    61   450.000  1.364
   61    62   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  116.34900
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  109.06800
   41    47    67    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    80.00000  120.40000
   47    52    56    65.00000  115.47100
   47    67    63    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    58    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    59    63.00000  120.00000
   56    57    63    70.00000  120.00000
   56    58    77    63.00000  120.00000
   56    58    61    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    66    63.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    67    70.00000  112.17500
   59    66    69    63.00000  120.00000
   59    66    77    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    58    63.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    58    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    58    61    70.00000  120.00000
   58    56    57    63.00000  120.00000
   58    61    62    35.00000  113.00000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    57    59    70.00000  120.00000
   63    67    68    37.50000  110.70000
   63    67    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    47    52    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  109.61100
   54    47    67    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.51250  1.0 1.0
   38    41    47    52  -0.88800 -1.0 2.0
   38    41    47    52   0.08850  1.0 3.0
   38    41   -47    67   0.09850  1.0 1.0
   38    41   -47    67   0.15250 -1.0 2.0
   38    41   -47    67  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.30150 -1.0 2.0
   41    47    52    56   0.65300  1.0 1.0
   41    47    52    56  -0.03850 -1.0 2.0
   41    47    52    56   0.33900  1.0 3.0
   41    47    67    63   0.34400  1.0 1.0
   41    47    67    63   0.09450 -1.0 2.0
   41    47    67    63   0.11100  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.34400  1.0 1.0
   41    47    67    39   0.09450 -1.0 2.0
   41    47    67    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    67   0.09700  1.0 1.0
   42    41    47    67   0.15600 -1.0 2.0
   42    41    47    67  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   2.26350  1.0 1.0
   47    52    56    57   0.76750 -1.0 2.0
   47    52    56    57   0.22500  1.0 3.0
   47    52    56    58   2.26350  1.0 1.0
   47    52    56    58   0.76750 -1.0 2.0
   47    52    56    58   0.22500  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    43   0.86500  1.0 1.0
   47    67    39    43  -0.17500 -1.0 2.0
   47    67    39    43   0.20800  1.0 3.0
   52    47    67    63  -0.95700  1.0 1.0
   52    47    67    63  -0.18200 -1.0 2.0
   52    47    67    63   0.29450  1.0 3.0
   52    47    67    68  -0.11250  1.0 3.0
   52    47    67    39  -0.95700  1.0 1.0
   52    47    67    39  -0.18200 -1.0 2.0
   52    47    67    39   0.29450  1.0 3.0
   52    47    54    55   0.91850  1.0 1.0
   52    47    54    55   0.57950  1.0 3.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56   -57    63   3.62500 -1.0 2.0
   52    56    58    77   3.62500 -1.0 2.0
   52    56    58    61   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    58   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    66   3.62500 -1.0 2.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    67   0.04150 -1.0 2.0
   56    58    61    62   0.84100 -1.0 2.0
   57    56    58    77   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   57    59    66    69   3.62500 -1.0 2.0
   57    59   -66    77   3.62500 -1.0 2.0
   57    63   -67    47  -0.03700  1.0 1.0
   57    63   -67    47   0.37200 -1.0 2.0
   57    63   -67    47  -0.47300  1.0 3.0
   57    63    67    68   0.43200  1.0 3.0
   57    63    67    39  -0.03700  1.0 1.0
   57    63    67    39   0.37200 -1.0 2.0
   57    63    67    39  -0.47300  1.0 3.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    67   0.04150 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    71   3.62500 -1.0 2.0
   59    66    77    76   3.62500 -1.0 2.0
   59    66    77    58   3.62500 -1.0 2.0
   60    59    66    69   3.62500 -1.0 2.0
   60    59    66    77   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -58    56   3.62500 -1.0 2.0
   66    77    58    61   3.62500 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    58   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    58   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    58    56   3.62500 -1.0 2.0
   76    77    58    61   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    58    61    62   0.84100 -1.0 2.0
   58    56   -57    59   3.62500 -1.0 2.0
   58    56    57    63   3.62500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    58   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    57    59    60   3.62500 -1.0 2.0
   63    57    59    66   3.62500 -1.0 2.0
   63    67    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    43   0.86500  1.0 1.0
   63    67    39    43  -0.17500 -1.0 2.0
   63    67    39    43   0.20800  1.0 3.0
   64    63    67    47   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   65    63    67    47   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    39   0.15000  1.0 3.0
   67    47    52    53   0.30150 -1.0 2.0
   67    47   -52    56   0.05850 -1.0 2.0
   67    47   -52    56   0.17250  1.0 3.0
   67    47    54    55  -0.11600  1.0 1.0
   67    47    54    55  -0.09450 -1.0 2.0
   67    47    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.30150 -1.0 2.0
   54    47    52    56   0.65300  1.0 1.0
   54    47    52    56  -0.03850 -1.0 2.0
   54    47    52    56   0.33900  1.0 3.0
   54    47    67    63   0.86500  1.0 1.0
   54    47    67    63  -0.17500 -1.0 2.0
   54    47    67    63   0.20800  1.0 3.0
   54    47    67    68   0.23400  1.0 3.0
   54    47    67    39   0.86500  1.0 1.0
   54    47    67    39  -0.17500 -1.0 2.0
   54    47    67    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
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    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    56    52    53  10.50000 -1.0 2.0
   57    58    56    52   4.00000 -1.0 2.0
   59    63    57    56   4.00000 -1.0 2.0
   66    60    59    57   1.10000 -1.0 2.0
   69    77    66    59   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    58    77    66   4.00000 -1.0 2.0
   77    61    58    56   4.00000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
