* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    219     427
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02019    84.06069    49.43955
    3     1 S   H    _H1_     3     1.02183    34.16677  -173.92652
    4     1 S   H    _H2_     4     1.02066    95.76187   -58.81977
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.83355    97.99757  -178.12988
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C7_    37     1.51995   106.94863   -60.02901
   38    37 S   O    _O20    38     1.23141   120.57575    97.20736
   39    33 S   OS   _O22    76     1.41940   109.77122    57.90032
   40    37 S   CM   _C5_    39     1.51061   118.67355   -81.80145
   41    39 S   CT   _C21    77     1.42115   111.54880    63.24949
   42    41 S   HC   _H44    78     1.09199   109.55158  -179.98022
   43    41 S   HC   _H45    79     1.09284   109.53894    59.16411
   44    41 S   HC   _H46    80     1.09353   108.99128   -60.39066
   45    40 S   CM   _C4_    40     1.35177   120.00692   -17.57927
   46    45 S   CO4  _C6_    41     1.50480   120.60923     4.04762
   47    46 S   O    _O19    42     1.23080   121.05381   166.31981
   48    45 S   CT   _C14    50     1.52335   123.37349  -178.01328
   49    48 S   HC   _H33    51     1.10153   109.62858  -111.13139
   50    33 S   CT   _C15    43     1.51779   111.42227   178.61365
   51    50 S   HC   _H34    44     1.10284   112.00597   -49.71302
   52    48 S   CT   _C12    52     1.53555   113.97079     7.56001
   53    52 S   HC   _H29    53     1.10050   109.33161  -159.20948
   54    52 S   HC   _H30    54     1.09911   110.76208    84.47949
   55    48 S   CM   _C11    68     1.50409   112.80569   130.18160
   56    50 S   OS   _O21    45     1.42466   111.58541  -170.68631
   57    52 S   CT   _C13    55     1.51969   111.29692   -37.88070
   58    57 S   HC   _H31    56     1.09764   108.78806  -178.54977
   59    57 S   HC   _H32    57     1.09806   109.19045   -63.51848
   60    55 S   CM   _C9_    69     1.34073   121.91764   120.39090
   61    60 S   HC   _H26    70     1.08488   121.36231  -179.98022
   62    60 S   HC   _H27    71     1.08486   121.38472     0.01978
   63    55 S   CT   _C18    72     1.50012   116.15596   -59.60766
   64    63 S   HC   _H35    73     1.09494   110.29905   -89.96927
   65    63 S   HC   _H36    74     1.09448   110.30832    29.83522
   66    63 S   HC   _H37    75     1.09450   112.14554   149.95869
   67    56 S   CT   _C20    46     1.42155   111.55843   157.49304
   68    67 S   HC   _H41    47     1.09251   109.53364   179.92867
   69    67 S   HC   _H42    48     1.09346   109.53268    59.16174
   70    67 S   HC   _H43    49     1.09255   109.04343   -60.42026
   71    40 S   CT   _C16    58     1.53509   117.57716   162.01745
   72    71 S   CM   _C10    59     1.51392   112.10541   -44.35885
   73    72 S   HC   _H28    60     1.08684   117.13341   119.96573
   74    71 S   CT   _C19    64     1.54248   109.40337    76.82196
   75    74 S   HC   _H38    65     1.08239   108.90822  -179.97202
   76    74 S   HC   _H39    66     1.08242   108.87780    60.01391
   77    74 S   HC   _H40    67     1.08252   108.86037   -60.02002
   78    72 S   CM   _C8_    61     1.33774   124.07122   -59.92863
   79    78 S   HC   _H24    62     1.08406   120.42422  -180.00000
   80    78 S   HC   _H25    63     1.08420   121.49092    -0.04423
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  14   5   9  19   4   2   1   1  17  10   4  17
   7   6   2  11   6   5   8   4  10   4   3   6   2   1   3   2
   1   1   3   2   1   1   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    50    51    56    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    46    47    50    51    56    67    71    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    50    51    56    48    57    71    72    74    39    41  
   40    45    50    71    39  
   41    42    43    44    40    46    50    51    56  
   45    46    47    50    48    49    52    57    58    59    71    72    73    78    74    75    76    77    55  
   42    43    44    50  
   43    44  
   44  
    0  
   46    47    50    51    56    48    49    52    53    54    57    71    72    74    55    60    63  
   47    50    51    56    67    48    49    52    71    55  
   50    51    56    48  
   49    52    53    54    57    58    59    71    55    60    61    62    63    64    65    66    50  
   52    53    54    57    55    60    63  
   51    56    67    68    69    70  
   56    67  
   53    54    57    58    59    71    72    74    55    60    63  
   54    57    58    59    71    55  
   57    58    59    71    55  
   60    61    62    63    64    65    66    57  
   67    68    69    70  
   58    59    71    72    73    78    74    75    76    77  
   59    71    72    74  
   71    72    74  
   61    62    63    64    65    66  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    71   317.000  1.510
   45    46   320.000  1.462
   45    48   317.000  1.510
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    71   268.000  1.529
   71    72   317.000  1.510
   71    74   268.000  1.529
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   55    60   549.000  1.340
   55    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    71    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    46    65.00000  118.96000
   40    45    48    70.00000  124.00000
   40    71    57    70.00000  112.02700
   40    71    72    70.00000  110.12100
   40    71    74    70.00000  112.02700
   45    46    47    80.00000  123.72100
   45    46    50    65.00000  118.62400
   45    48    49    35.00000  109.50000
   45    48    52    70.00000  112.02700
   45    48    55    70.00000  110.12100
   46    50    51    35.00000  109.50000
   46    50    56    90.00000  108.74100
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    56    67    60.00000  109.50000
   56    50    51    35.00000  109.50000
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    45    46    65.00000  116.34900
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   48    55    60    70.00000  124.00000
   48    55    63    65.00000  117.92700
   52    48    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    71    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    71    72    70.00000  112.02700
   57    71    74    58.35000  112.70000
   59    57    58    33.00000  107.80000
   71    40    45    70.00000  124.00000
   71    57    58    37.50000  110.70000
   71    57    59    37.50000  110.70000
   71    72    73    35.00000  117.00000
   71    72    78    70.00000  124.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   72    78    79    35.00000  120.00000
   72    78    80    35.00000  120.00000
   78    72    73    35.00000  120.00000
   80    78    79    35.00000  117.00000
   74    71    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    52    70.00000  112.02700
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    55    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    50    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    71   0.25700  1.0 1.0
   33    37    40    71   0.66200 -1.0 2.0
   33    37    40    71   0.04450  1.0 3.0
   33    50    56    67   0.06250  1.0 1.0
   33    50    56    67  -0.01100 -1.0 2.0
   33    50    56    67   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    56  -0.09450  1.0 1.0
   37    33    50    56  -1.12950 -1.0 2.0
   37    33    50    56   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    46   7.00000 -1.0 2.0
   37    40    45    48   7.00000 -1.0 2.0
   37    40    71    57   0.09700  1.0 1.0
   37    40    71    57   0.15600 -1.0 2.0
   37    40    71    57  -0.50800  1.0 3.0
   37    40    71    72   0.09700  1.0 1.0
   37    40    71    72   0.15600 -1.0 2.0
   37    40    71    72  -0.50800  1.0 3.0
   37    40    71    74   0.09700  1.0 1.0
   37    40    71    74   0.15600 -1.0 2.0
   37    40    71    74  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    71  -0.64400  1.0 1.0
   38    37    40    71   0.26850 -1.0 2.0
   40    45    46    47   1.00000 -1.0 2.0
   40    45    46    50  -0.33500  1.0 1.0
   40    45    46    50   1.06600 -1.0 2.0
   40    45    46    50  -0.14000  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    52   0.09850  1.0 1.0
   40    45    48    52   0.15250 -1.0 2.0
   40    45    48    52  -0.50650  1.0 3.0
   40    45    48    55  -0.28300  1.0 1.0
   40    45    48    55   0.26700 -1.0 2.0
   40    45    48    55  -0.63300  1.0 3.0
   40    71    72    73   0.00000  1.0 1.0
   40    71    72    78  -0.28300  1.0 1.0
   40    71    72    78   0.26700 -1.0 2.0
   40    71    72    78  -0.63300  1.0 3.0
   40    71    74    75   0.15000  1.0 3.0
   40    71    74    76   0.15000  1.0 3.0
   40    71    74    77   0.15000  1.0 3.0
   45    40    71    57   0.09850  1.0 1.0
   45    40    71    57   0.15250 -1.0 2.0
   45    40    71    57  -0.50650  1.0 3.0
   45    40    71    72  -0.28300  1.0 1.0
   45    40    71    72   0.26700 -1.0 2.0
   45    40    71    72  -0.63300  1.0 3.0
   45    40    71    74   0.09850  1.0 1.0
   45    40    71    74   0.15250 -1.0 2.0
   45    40    71    74  -0.50650  1.0 3.0
   45    46   -50    33   0.65300  1.0 1.0
   45    46   -50    33  -0.03850 -1.0 2.0
   45    46   -50    33   0.33900  1.0 3.0
   45    46    50    51   0.00000  1.0 1.0
   45    46    50    56   0.65300  1.0 1.0
   45    46    50    56  -0.03850 -1.0 2.0
   45    46    50    56   0.33900  1.0 3.0
   45    48    52    53   0.15000  1.0 3.0
   45    48    52    54   0.15000  1.0 3.0
   45    48   -52    57   0.34400  1.0 1.0
   45    48   -52    57   0.09450 -1.0 2.0
   45    48   -52    57   0.11100  1.0 3.0
   45    48    55    60  -0.28300  1.0 1.0
   45    48    55    60   0.26700 -1.0 2.0
   45    48    55    60  -0.63300  1.0 3.0
   45    48    55    63   0.09700  1.0 1.0
   45    48    55    63   0.15600 -1.0 2.0
   45    48    55    63  -0.50800  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.09700  1.0 1.0
   46    45    48    52   0.15600 -1.0 2.0
   46    45    48    52  -0.50800  1.0 3.0
   46    45    48    55   0.09700  1.0 1.0
   46    45    48    55   0.15600 -1.0 2.0
   46    45    48    55  -0.50800  1.0 3.0
   46    50    56    67  -1.11000  1.0 1.0
   46    50    56    67   0.50250 -1.0 2.0
   46    50    56    67   0.47450  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    56   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    40   0.65300  1.0 1.0
   50    33   -37    40  -0.03850 -1.0 2.0
   50    33   -37    40   0.33900  1.0 3.0
   50    33    39    41   0.06250  1.0 1.0
   50    33    39    41  -0.01100 -1.0 2.0
   50    33    39    41   0.28050  1.0 3.0
   50    56    67    68   0.37050  1.0 3.0
   50    56    67    69   0.37050  1.0 3.0
   50    56    67    70   0.37050  1.0 3.0
   51    50    56    67   0.37050  1.0 3.0
   48    45    46    47  -0.64400  1.0 1.0
   48    45    46    47   0.26850 -1.0 2.0
   48    45    46    50   0.25700  1.0 1.0
   48    45    46    50   0.66200 -1.0 2.0
   48    45    46    50   0.04450  1.0 3.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    71   0.56750  1.0 1.0
   48    52    57    71  -0.07550 -1.0 2.0
   48    52    57    71   0.20000  1.0 3.0
   48    55    60    61   7.00000 -1.0 2.0
   48    55    60    62   7.00000 -1.0 2.0
   48    55    63    64   0.34800  1.0 3.0
   48    55    63    65   0.34800  1.0 3.0
   48    55    63    66   0.34800  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   49    48    55    60   0.00000  1.0 1.0
   49    48    55    63   0.34800  1.0 3.0
   52    48    55    60   0.09850  1.0 1.0
   52    48    55    60   0.15250 -1.0 2.0
   52    48    55    60  -0.50650  1.0 3.0
   52    48    55    63   0.46850  1.0 1.0
   52    48    55    63   0.08550 -1.0 2.0
   52    48    55    63   0.09800  1.0 3.0
   52    57   -71    40   0.34400  1.0 1.0
   52    57   -71    40   0.09450 -1.0 2.0
   52    57   -71    40   0.11100  1.0 3.0
   52    57    71    72   0.34400  1.0 1.0
   52    57    71    72   0.09450 -1.0 2.0
   52    57    71    72   0.11100  1.0 3.0
   52    57    71    74   0.56750  1.0 1.0
   52    57    71    74  -0.07550 -1.0 2.0
   52    57    71    74   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    71   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    71   0.15000  1.0 3.0
   57    71    72    73   0.00000  1.0 1.0
   57    71    72    78   0.09850  1.0 1.0
   57    71    72    78   0.15250 -1.0 2.0
   57    71    72    78  -0.50650  1.0 3.0
   57    71    74    75   0.15000  1.0 3.0
   57    71    74    76   0.15000  1.0 3.0
   57    71    74    77   0.15000  1.0 3.0
   58    57    71    40   0.15000  1.0 3.0
   58    57    71    72   0.15000  1.0 3.0
   58    57    71    74   0.15000  1.0 3.0
   59    57    71    40   0.15000  1.0 3.0
   59    57    71    72   0.15000  1.0 3.0
   59    57    71    74   0.15000  1.0 3.0
   71    40    45    46   7.00000 -1.0 2.0
   71    40   -45    48   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78   0.09850  1.0 1.0
   74    71    72    78   0.15250 -1.0 2.0
   74    71    72    78  -0.50650  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    57   0.34400  1.0 1.0
   55    48    52    57   0.09450 -1.0 2.0
   55    48    52    57   0.11100  1.0 3.0
   60    55    63    64   0.00000  1.0 1.0
   60    55    63    65   0.00000  1.0 1.0
   60    55    63    66   0.00000  1.0 1.0
   63    55    60    61   7.00000 -1.0 2.0
   63    55    60    62   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    50    46  -0.09450  1.0 1.0
   39    33    50    46  -1.12950 -1.0 2.0
   39    33    50    46   0.54000  1.0 3.0
   39    33    50    51   0.23400  1.0 3.0
   39    33    50    56   1.11900  1.0 1.0
   39    33    50    56  -1.16350 -1.0 2.0
   39    33    50    56  -0.34150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    71    40    45   1.10000 -1.0 2.0
   46    48    45    40   1.10000 -1.0 2.0
   45    50    46    47  10.50000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   79    80    78    72  15.00000 -1.0 2.0
   48    63    55    60  15.00000 -1.0 2.0
   61    62    60    55  15.00000 -1.0 2.0
END
