* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    150    211     432
    1     0 S   NP   _N1_     1    28.95999    94.86798   -24.94624
    2     1 S   H    _HN1     2     1.02834    31.19904   176.92082
    3     1 S   H    _H1_     3     1.02786   111.05258   -93.06847
    4     1 S   H    _H2_     4     1.02956    76.89264    11.76310
    5     1 S   CT   _CA1     5     1.50139   130.47040   117.52787
    6     5 S   HC   _HA1     6     1.09576   105.20140    87.72663
    7     5 S   CO3  _C1_     7     1.53764   112.34280   -32.45292
    8     7 S   O2Z  _O11     8     1.26364   115.00169   -44.82994
    9     7 S   O2Z  _O12     9     1.26232   114.92112   134.16212
   10     5 S   CT   _CB1    10     1.53063   107.38702  -154.40585
   11    10 S   HC   HB11    11     1.09835   109.27728   -50.53367
   12    10 S   HC   HB12    12     1.09816   110.45383    65.98941
   13    10 S   CT   _CG1    13     1.53033   112.72012  -171.58613
   14    13 S   HC   HG11    14     1.09587   110.56915   -65.55055
   15    13 S   HC   HG12    15     1.09657   109.88659    53.71234
   16    13 S   C    _CD1    16     1.51807   112.13314   174.04431
   17    16 S   O    _OE1    17     1.22783   123.24533     3.64809
   18    16 S   N    _N2_    18     1.38558   111.87616  -176.35095
   19    18 S   H    _HN2    19     1.01595   119.26278     2.38080
   20    18 S   CT1  _CA2    20     1.45990   122.79905   177.45947
   21    20 S   HC   _HA2    21     1.09687   109.98204    22.31930
   22    20 S   C    _C2_    22     1.52799   104.40392   -94.82812
   23    22 S   O    _O2_    23     1.22968   122.78915   -86.99576
   24    20 S   CT   _CB2    32     1.53209   111.83530   145.54403
   25    24 S   HC   HB21    33     1.09510   110.13563    53.94224
   26    24 S   HC   HB22    34     1.09396   109.15855   172.81941
   27    22 S   N    _N3_    24     1.38522   112.90075    88.31831
   28    27 S   H    _HN3    25     1.01706   120.07596     1.18531
   29    24 S   S    _SG2    35     1.83424   110.59849   -66.96575
   30    27 S   CT   _CA3    26     1.45300   122.36328  -176.15677
   31    30 S   HC   HA31    27     1.09544   107.65896   -61.74818
   32    30 S   HC   HA32    28     1.09576   107.77046    54.52921
   33    29 S   CT   _C20    36     1.86852   101.47856   177.94853
   34    33 S   OM   _O38    37     1.31280   110.22107   -59.83130
   35    30 S   CO3  _C3_    29     1.52770   114.41045   176.45083
   36    35 S   O2Z  _O31    30     1.26304   116.14055     4.88720
   37    35 S   O2Z  _O32    31     1.26445   114.46531  -175.66180
   38    33 S   CM   _C19    38     1.52450   107.71242    67.54103
   39    38 S   HC   _H21    39     1.09364   112.10905    70.00422
   40    33 S   S    _S1_    81     1.87714   105.80989  -177.17451
   41    38 S   CMA  _C18    40     1.35805   132.52012  -109.26678
   42    41 S   OM   _O39    41     1.26203   132.56285    -0.05234
   43    40 S   CT   _C21    82     1.81606   101.12050  -176.64637
   44    43 S   HC   _H22    83     1.09371   108.49456  -179.36112
   45    43 S   HC   _H23    84     1.09261   111.10256    62.16351
   46    43 S   HC   _H24    85     1.09272   111.23399   -60.77248
   47    41 S   CT   _C17    42     1.52571   116.30614  -179.27964
   48    47 S   HC   _H19    43     1.09813   111.95735    25.16471
   49    47 S   HC   _H20    44     1.09953   112.21687   142.44647
   50    47 S   CO4  _C16    45     1.52459   111.38045   -95.62708
   51    50 S   O    _O37    46     1.23184   121.28016  -102.05372
   52    50 S   CT   _C15    47     1.51350   116.82025    77.56474
   53    52 S   HC   _H17    48     1.09322   109.75575   -64.47288
   54    52 S   HC   _H18    49     1.09543   108.78137    53.29217
   55    52 S   CO4  _C14    50     1.51078   113.95805   173.49648
   56    55 S   O    _O36    51     1.23131   120.74976   -88.75134
   57    55 S   CT   _C13    52     1.52183   116.61354    89.09328
   58    57 S   HC   _H15    53     1.09578   107.62734   -59.59078
   59    57 S   HC   _H16    54     1.09583   107.13877    57.71769
   60    57 S   CT   _C12    55     1.53159   112.43118   178.67929
   61    60 S   HC   _H3_    56     1.09619   110.76521   -46.95937
   62    60 S   CT   _C11    57     1.52884   110.79165  -169.96791
   63    62 S   HC   _H13    58     1.09611   109.74706   -69.80902
   64    62 S   HC   _H14    59     1.09532   110.37327    50.54681
   65    60 S   OH   _O40    79     1.42920   108.80784    71.69158
   66    65 S   HO   _H25    80     0.97351   107.19639   -64.41975
   67    62 S   CO4  _C10    60     1.52407   112.98844   170.08444
   68    67 S   O    _O35    61     1.23000   122.27411   -12.58218
   69    67 S   CT   _C9_    62     1.51426   115.56028   171.55148
   70    69 S   HC   _H11    63     1.09465   108.81792   -38.00302
   71    69 S   HC   _H12    64     1.09439   106.69804    79.84359
   72    69 S   CO4  _C8_    65     1.51377   116.45155  -158.50246
   73    72 S   O    _O34    66     1.23006   122.20388    22.17650
   74    72 S   CT   _C7_    67     1.51538   115.72548  -163.12059
   75    74 S   HC   _H9_    68     1.09511   106.90445   -78.35813
   76    74 S   HC   _H10    69     1.09489   109.34635    39.25467
   77    74 S   CO4  _C6_    70     1.51454   115.64123   159.86964
   78    77 S   O    _O33    71     1.23019   121.98918   -29.95233
   79    77 S   CT   _C5_    72     1.51959   115.79459   152.91223
   80    79 S   HC   _H7_    73     1.09504   108.18630   -59.56933
   81    79 S   HC   _H8_    74     1.09503   108.12720    58.02023
   82    79 S   CT   _C4_    75     1.51804   112.73788   179.32276
   83    82 S   HC   _H4_    76     1.09503   111.05367   -60.25989
   84    82 S   HC   _H5_    77     1.09432   110.38372   179.73980
   85    82 S   HC   _H6_    78     1.09504   111.04290    59.71352
  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   7   5   4   3
  11   5   2   1   1   9   4   5   7   4   3   2   1   1   8   4
   3   7   4   8   4   3   8   4  10   5   4   9   6  10   5   4
   2   1   7   4   8   4   3   7   4   8   4   3   8   4   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    40    43    44    45    46  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    50    40    43  
   41    42    47    40  
   43    44    45    46    41  
   42    47    48    49    50    51    52  
   47    48    49    50  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    65  
   57    58    59    60  
   58    59    60    61    62    63    64    67    65    66  
   59    60    61    62    65  
   60    61    62    65  
   61    62    63    64    67    68    69    65    66  
   62    63    64    67    65    66  
   63    64    67    68    69    70    71    72    65    66  
   64    67    68    69    65  
   67    68    69    65  
   66    67  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82    83    84    85  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   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    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    40   222.000  1.810
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.522
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   65    66   553.000  0.945
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    40    75.00000  118.28000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  109.06800
   47    41    42    85.00000  112.85300
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    75.00000  107.99600
   52    50    51    80.00000  120.40000
   52    55    56    80.00000  120.40000
   52    55    57    70.00000  116.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    63.00000  111.10000
   57    55    56    80.00000  120.40000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    67    63.00000  111.10000
   60    65    66    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    67    68    80.00000  120.40000
   62    67    69    70.00000  116.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    75.00000  107.99600
   69    67    68    80.00000  120.40000
   69    72    73    80.00000  120.40000
   69    72    74    70.00000  116.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  107.99600
   74    72    73    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    63.00000  111.10000
   79    77    78    80.00000  120.40000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    50.00000  109.50000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  112.20000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  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    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   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    40    43   0.13850  1.0 1.0
   34    33    40    43  -1.34450 -1.0 2.0
   34    33    40    43   0.57400  1.0 3.0
   38    33    40    43  -0.62250  1.0 1.0
   38    33    40    43  -0.38450 -1.0 2.0
   38    33    40    43   0.81900  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50  -0.51250  1.0 1.0
   38    41    47    50  -0.88800 -1.0 2.0
   38    41    47    50   0.08850  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    50    51   0.30150 -1.0 2.0
   41    47    50    52   0.65300  1.0 1.0
   41    47    50    52  -0.03850 -1.0 2.0
   41    47    50    52   0.33900  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.65300  1.0 1.0
   47    50    52    55  -0.03850 -1.0 2.0
   47    50    52    55   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56   0.30150 -1.0 2.0
   50    52    55    57   0.65300  1.0 1.0
   50    52    55    57  -0.03850 -1.0 2.0
   50    52    55    57   0.33900  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    57    60   0.60050  1.0 1.0
   52    55    57    60   0.05600 -1.0 2.0
   52    55    57    60   0.26150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    60    61  -0.11250  1.0 3.0
   55    57    60    62  -0.95700  1.0 1.0
   55    57    60    62  -0.18200 -1.0 2.0
   55    57    60    62   0.29450  1.0 3.0
   55    57    60    65  -0.09450  1.0 1.0
   55    57    60    65  -1.12950 -1.0 2.0
   55    57    60    65   0.54000  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64   0.15000  1.0 3.0
   57    60    62    67  -0.95700  1.0 1.0
   57    60    62    67  -0.18200 -1.0 2.0
   57    60    62    67   0.29450  1.0 3.0
   57    60    65    66  -0.11600  1.0 1.0
   57    60    65    66  -0.09450 -1.0 2.0
   57    60    65    66   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    65   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    65   0.23400  1.0 3.0
   60    62    67    68   0.30150 -1.0 2.0
   60    62    67    69   0.60050  1.0 1.0
   60    62    67    69   0.05600 -1.0 2.0
   60    62    67    69   0.26150  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    67  -0.11250  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66  -0.11600  1.0 1.0
   62    60    65    66  -0.09450 -1.0 2.0
   62    60    65    66   0.21250  1.0 3.0
   62    67    69    70   0.00000  1.0 1.0
   62    67    69    71   0.00000  1.0 1.0
   62    67    69    72   0.65300  1.0 1.0
   62    67    69    72  -0.03850 -1.0 2.0
   62    67    69    72   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   64    62    67    68   0.00000  1.0 1.0
   64    62    67    69   0.00000  1.0 1.0
   67    69    72    73   0.30150 -1.0 2.0
   67    69    72    74   0.65300  1.0 1.0
   67    69    72    74  -0.03850 -1.0 2.0
   67    69    72    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.65300  1.0 1.0
   69    72    74    77  -0.03850 -1.0 2.0
   69    72    74    77   0.33900  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    77    78   0.30150 -1.0 2.0
   72    74    77    79   0.65300  1.0 1.0
   72    74    77    79  -0.03850 -1.0 2.0
   72    74    77    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.60050  1.0 1.0
   74    77    79    82   0.05600 -1.0 2.0
   74    77    79    82   0.26150  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83  -0.11250  1.0 3.0
   77    79    82    84  -0.11250  1.0 3.0
   77    79    82    85  -0.11250  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   65    60    62    63   0.23400  1.0 3.0
   65    60    62    64   0.23400  1.0 3.0
   65    60    62    67  -0.09450  1.0 1.0
   65    60    62    67  -1.12950 -1.0 2.0
   65    60    62    67   0.54000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.42700  1.0 1.0
   40    33    38    41  -0.70350 -1.0 2.0
   40    33    38    41  -0.43150  1.0 3.0
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    39    38    41  15.00000 -1.0 2.0
   47    42    41    38  15.00000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   52    57    55    56  10.50000 -1.0 2.0
   62    69    67    68  10.50000 -1.0 2.0
   69    74    72    73  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
END
