* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    143    209     419
    1     0 S   NP   _N1_     1    29.57353   100.81395   -16.82115
    2     1 S   H    _HN1     2     1.02939    42.04200    -8.74788
    3     1 S   H    _H1_     3     1.02830    74.18584   130.94362
    4     1 S   H    _H2_     4     1.02760    94.52617  -121.50994
    5     1 S   CT   _CA1     5     1.50411   148.25092    27.29174
    6     5 S   HC   _HA1     6     1.09591   104.84315   153.31780
    7     5 S   CO3  _C1_     7     1.53855   112.79462    34.64148
    8     7 S   O2Z  _O11     8     1.26366   115.34659   -19.62282
    9     7 S   O2Z  _O12     9     1.26349   115.31773   159.21588
   10     5 S   CT   _CB1    10     1.53176   107.06511   -89.21322
   11    10 S   HC   HB11    11     1.09837   108.95187   -46.77876
   12    10 S   HC   HB12    12     1.09774   110.25196    69.43613
   13    10 S   CT   _CG1    13     1.53054   113.40921  -167.88420
   14    13 S   HC   HG11    14     1.09480   110.69875   -71.48593
   15    13 S   HC   HG12    15     1.09672   109.86322    47.81954
   16    13 S   C    _CD1    16     1.51888   112.38784   167.89437
   17    16 S   O    _OE1    17     1.22781   123.38845     4.08010
   18    16 S   N    _N2_    18     1.38499   111.75487  -175.02949
   19    18 S   H    _HN2    19     1.01773   119.35176    -4.19283
   20    18 S   CT1  _CA2    20     1.45644   122.94223   177.81842
   21    20 S   HC   _HA2    21     1.09738   108.42235    36.52659
   22    20 S   C    _C2_    22     1.53090   107.38235   -80.64120
   23    22 S   O    _O2_    23     1.22977   123.24135   -27.30115
   24    20 S   CT   _CB2    32     1.53323   112.44248   159.93486
   25    24 S   HC   HB21    33     1.09319   110.41746    56.95319
   26    24 S   HC   HB22    34     1.09578   109.87302   173.97071
   27    22 S   N    _N3_    24     1.38573   112.47103   155.29555
   28    27 S   H    _HN3    25     1.01649   120.26818    -2.01324
   29    24 S   S    _SG2    35     1.82936   111.64531   -68.23825
   30    27 S   CT   _CA3    26     1.45334   122.48052   178.68463
   31    30 S   HC   HA31    27     1.09567   107.81280   -55.79986
   32    30 S   HC   HA32    28     1.09564   107.59965    60.51944
   33    29 S   CT   _C4_    36     1.87347   102.84573   113.29177
   34    33 S   OM   _O35    37     1.31825   109.35521   -60.25989
   35    30 S   CO3  _C3_    29     1.52883   114.35978  -177.69539
   36    35 S   O2Z  _O31    30     1.26334   116.09707     0.67086
   37    35 S   O2Z  _O32    31     1.26447   114.40403  -179.36696
   38    33 S   CT   _C5_    38     1.55524   112.25225    61.75419
   39    38 S   HC   _H3_    39     1.09928   110.23331   -64.79651
   40    38 S   HC   _H4_    40     1.10042   109.90660  -178.31891
   41    33 S   S    _S1_    47     1.87276   104.37752  -177.03139
   42    38 S   CT   _C6_    41     1.53543   116.53099    58.43281
   43    42 S   HC   _H5_    42     1.09568   110.32347    62.12216
   44    42 S   HC   _H6_    43     1.09549   110.27971   -56.60005
   45    41 S   CT   _C8_    48     1.83434   102.06363   179.81548
   46    45 S   HC   _H7_    49     1.09387   108.51704    67.20200
   47    45 S   HC   _H8_    50     1.09413   108.85908   -50.51785
   48    42 S   CO3  _C7_    44     1.53445   115.00422  -177.24075
   49    48 S   O2Z  _O34    45     1.26585   114.02855   173.98774
   50    48 S   O2Z  _O33    46     1.26140   116.85890    -6.03650
   51    45 S   CT1  _C9_    51     1.53796   112.40964  -171.13565
   52    51 S   HC   _H9_    52     1.09799   108.23350   173.97435
   53    51 S   C    _C10    53     1.52978   112.45876   -67.21641
   54    53 S   O    _O36    54     1.23001   122.80342   105.49136
   55    51 S   N    _N5_    63     1.45827   112.89253    55.86059
   56    55 S   H    _H13    64     1.01632   117.40959  -101.53815
   57    53 S   N    _N4_    55     1.38448   112.76066   -73.91791
   58    57 S   H    _H10    56     1.01634   120.33750     0.37949
   59    55 S   C    _C13    65     1.38033   123.04747    75.31939
   60    59 S   O    _O39    66     1.22877   125.39633     2.10933
   61    57 S   CT   _C11    57     1.45362   122.52895   179.32103
   62    61 S   HC   _H11    58     1.09553   107.27476   -70.15062
   63    61 S   HC   _H12    59     1.09569   108.23147    46.25529
   64    59 S   CT   _C14    67     1.51341   113.20209  -177.21231
   65    64 S   HC   _H14    68     1.09687   108.53629   -49.95401
   66    64 S   HC   _H15    69     1.09583   108.56922  -165.06295
   67    61 S   CO3  _C12    60     1.52899   114.36151   168.53217
   68    67 S   O2Z  _O38    61     1.26328   116.12337     2.19357
   69    67 S   O2Z  _O37    62     1.26459   114.38904  -177.63057
   70    64 S   CT   _C15    70     1.53056   112.96310    71.58060
   71    70 S   HC   _H16    71     1.09806   108.57388   -69.09681
   72    70 S   HC   _H17    72     1.09842   107.95218   176.87889
   73    70 S   CT   _C16    73     1.53601   115.98058    53.59381
   74    73 S   HC   _H18    74     1.09410   111.08252   -66.08753
   75    73 S   CO3  _C17    75     1.54115   107.65820   175.03288
   76    75 S   O2Z  _O41    76     1.26289   115.30433    68.01550
   77    75 S   O2Z  _O40    77     1.26397   115.26269  -111.92668
   78    73 S   NP   _N6_    78     1.49424   109.85268    50.10562
   79    78 S   H    _H19    79     1.03313   110.52295   177.96616
   80    78 S   H    _H20    80     1.02822   111.47668    60.32368
   81    78 S   H    _H21    81     1.02745   112.93686   -62.81994
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  10   6   5   8   5   4   3  10   5   4   2
   1   1  11   6  10   4   8   3   7   4   8   4   5   4   3   9
   5   4   2   1   1  11   5   4   8   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    48    41    45    46    47    51  
   38    39    40    42    41    45  
   36    37  
   37  
    0  
   39    40    42    43    44    48    49    50    41    45  
   40    42    43    44    48    41  
   42    43    44    48    41  
   45    46    47    51    52    53    55    42  
   43    44    48    49    50  
   44    48    49    50  
   48    49    50  
   46    47    51    52    53    54    57    55    56    59  
   47    51    52    53    55  
   51    52    53    55  
   49    50  
   50  
    0  
   52    53    54    57    58    61    55    56    59    60    64  
   53    54    57    55    56    59  
   54    57    58    61    62    63    67    55    56    59  
   57    58    61    55  
   56    59    60    64    65    66    70    57  
   59    60    64  
   58    61    62    63    67    68    69  
   61    62    63    67  
   60    64    65    66    70    71    72    73  
   64    65    66    70  
   62    63    67    68    69  
   63    67    68    69  
   67    68    69  
   65    66    70    71    72    73    74    75    78  
   66    70    71    72    73  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    75    78  
   73    74    75    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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  -0.005000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   78   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.210000   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   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
   41    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   337.000  1.449
   53    54   570.000  1.229
   53    57   490.000  1.335
   57    58   434.000  1.010
   57    61   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   55    56   434.000  1.010
   55    59   490.000  1.335
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    78   367.000  1.471
   75    76   656.000  1.250
   75    77   656.000  1.250
   78    79   434.000  1.010
   78    80   434.000  1.010
   78    81   434.000  1.010
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  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    70.00000  109.69300
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    48    49    70.00000  117.00000
   42    48    50    70.00000  117.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   50    48    49    80.00000  126.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    51    75.00000  108.68000
   45    51    52    37.50000  110.70000
   45    51    53    63.00000  111.10000
   45    51    55    80.00000  109.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    57    70.00000  116.60000
   51    55    56    38.00000  118.40000
   51    55    59    50.00000  121.90000
   53    51    52    35.00000  109.50000
   53    57    58    35.00000  119.80000
   53    57    61    50.00000  121.90000
   57    53    54    80.00000  122.90000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    67    63.00000  110.10000
   61    57    58    38.00000  118.40000
   61    67    68    70.00000  117.00000
   61    67    69    70.00000  117.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   69    67    68    80.00000  126.00000
   55    51    52    35.00000  109.50000
   55    51    53    63.00000  110.10000
   55    59    60    80.00000  122.90000
   55    59    64    70.00000  116.60000
   59    55    56    35.00000  119.80000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    70    63.00000  111.10000
   64    59    60    80.00000  120.40000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    70.00000  109.69300
   70    73    78    80.00000  111.20000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    70.00000  117.00000
   73    75    77    70.00000  117.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   75    73    74    35.00000  109.50000
   77    75    76    80.00000  126.00000
   78    73    74    35.00000  109.50000
   78    73    75    80.00000  109.26000
   80    78    79    35.00000  109.50000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
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   0.01700  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.08500  1.0 1.0
   29    33    41    45  -0.53150 -1.0 2.0
   29    33    41    45   0.48050  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48  -1.63150  1.0 1.0
   33    38    42    48  -0.43550 -1.0 2.0
   33    38    42    48   0.24500  1.0 3.0
   33    41    45    46   0.32350  1.0 3.0
   33    41    45    47   0.32350  1.0 3.0
   33    41    45    51   0.01700  1.0 1.0
   33    41    45    51  -0.23550 -1.0 2.0
   33    41    45    51   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42   0.62750  1.0 1.0
   34    33    38    42  -0.30950 -1.0 2.0
   34    33    38    42   0.27300  1.0 3.0
   34    33    41    45   0.13850  1.0 1.0
   34    33    41    45  -1.34450 -1.0 2.0
   34    33    41    45   0.57400  1.0 3.0
   38    33    41    45   0.01700  1.0 1.0
   38    33    41    45  -0.23550 -1.0 2.0
   38    33    41    45   0.21350  1.0 3.0
   38    42    48    49   0.41150 -1.0 2.0
   38    42    48    50   0.41150 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48  -0.11250  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    48  -0.11250  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    50   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.44750  1.0 1.0
   41    33    38    42  -0.17800 -1.0 2.0
   41    33    38    42   0.20200  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53  -2.17200  1.0 1.0
   41    45    51    53  -0.85700 -1.0 2.0
   41    45    51    55   0.71400  1.0 1.0
   41    45    51    55   0.04300 -1.0 2.0
   41    45    51    55   0.01450  1.0 3.0
   45    51    53    54   0.00000  1.0 1.0
   45    51    53    57   0.93250  1.0 1.0
   45    51    53    57   0.04450 -1.0 2.0
   45    51    53    57   0.17550  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.25950  1.0 1.0
   45    51    55    59   0.43850 -1.0 2.0
   45    51    55    59   2.61650  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53  -0.03800  1.0 3.0
   46    45    51    55   0.23200  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53  -0.03800  1.0 3.0
   47    45    51    55   0.23200  1.0 3.0
   51    53    57    58   2.45000 -1.0 2.0
   51    53    57    61   1.15000  1.0 1.0
   51    53    57    61   3.04450 -1.0 2.0
   51    55    59    60   3.04450 -1.0 2.0
   51    55    59    64   1.15000  1.0 1.0
   51    55    59    64   3.04450 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    59  -0.29800  1.0 1.0
   53    51    55    59   0.13950 -1.0 2.0
   53    51    55    59  -2.45650  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    67  -0.29800  1.0 1.0
   53    57    61    67   0.13950 -1.0 2.0
   53    57    61    67  -2.45650  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    61   3.04450 -1.0 2.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    67   0.00000  1.0 1.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    57   0.37150  1.0 1.0
   55    51    53    57   1.25400 -1.0 2.0
   55    51    53    57  -0.40250  1.0 3.0
   55    59    64    65   0.00000  1.0 1.0
   55    59    64    66   0.00000  1.0 1.0
   55    59    64    70   1.39750  1.0 1.0
   55    59    64    70  -0.07950 -1.0 2.0
   55    59    64    70  -0.18750  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    64   2.45000 -1.0 2.0
   59    64    70    71  -0.11250  1.0 3.0
   59    64    70    72  -0.11250  1.0 3.0
   59    64    70    73  -0.95700  1.0 1.0
   59    64    70    73  -0.18200 -1.0 2.0
   59    64    70    73   0.29450  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    70   0.30150 -1.0 2.0
   64    70    73    74   0.15000  1.0 3.0
   64    70    73    75  -1.63150  1.0 1.0
   64    70    73    75  -0.43550 -1.0 2.0
   64    70    73    75   0.24500  1.0 3.0
   64    70    73    78   1.36600  1.0 1.0
   64    70    73    78  -0.11450 -1.0 2.0
   64    70    73    78   0.24250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   70    73    75    76   0.41150 -1.0 2.0
   70    73    75    77   0.41150 -1.0 2.0
   70    73    78    79   0.17350  1.0 3.0
   70    73    78    80   0.17350  1.0 3.0
   70    73    78    81   0.17350  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    78   0.19200  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    78   0.19200  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    78    79   0.13050  1.0 3.0
   74    73    78    80   0.13050  1.0 3.0
   74    73    78    81   0.13050  1.0 3.0
   75    73    78    79   0.17350  1.0 3.0
   75    73    78    80   0.17350  1.0 3.0
   75    73    78    81   0.17350  1.0 3.0
   78    73    75    76   0.30150 -1.0 2.0
   78    73    75    77   0.30150 -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
   49    42    48    50  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   58    53    57    61   1.00000 -1.0 2.0
   68    61    67    69  10.50000 -1.0 2.0
   56    59    55    51   1.00000 -1.0 2.0
   55    64    59    60  10.50000 -1.0 2.0
   76    73    75    77  10.50000 -1.0 2.0
END
