* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    165    253     479
    1     0 S   NP   _N1_     1    29.52079    99.87284   -22.71258
    2     1 S   H    _HN1     2     1.02796    97.62341   -75.50727
    3     1 S   H    _H1_     3     1.02946    50.83609    32.04094
    4     1 S   H    _H2_     4     1.02829    63.39954   178.28172
    5     1 S   CT   _CA1     5     1.50109   149.53104    92.30891
    6     5 S   HC   _HA1     6     1.09580   105.12895   131.67497
    7     5 S   CO3  _C1_     7     1.53614   112.61139    11.55986
    8     7 S   O2Z  _O11     8     1.26352   115.06040   -40.84300
    9     7 S   O2Z  _O12     9     1.26225   114.93889   138.37851
   10     5 S   CT   _CB1    10     1.53056   107.43466  -110.43294
   11    10 S   HC   HB11    11     1.09843   109.01315   -50.50643
   12    10 S   HC   HB12    12     1.09810   110.57475    65.97879
   13    10 S   CT   _CG1    13     1.53075   112.79272  -171.55338
   14    13 S   HC   HG11    14     1.09582   110.78694   -72.46623
   15    13 S   HC   HG12    15     1.09675   109.67341    46.78164
   16    13 S   C    _CD1    16     1.51852   111.78594   167.10338
   17    16 S   O    _OE1    17     1.22757   123.11468    16.61177
   18    16 S   N    _N2_    18     1.38554   111.86118  -163.27944
   19    18 S   H    _HN2    19     1.01606   119.03470    -0.89787
   20    18 S   CT1  _CA2    20     1.46329   123.51089   173.93550
   21    20 S   HC   _HA2    21     1.09736   109.42000     4.03420
   22    20 S   C    _C2_    22     1.53660   108.62906  -111.24058
   23    22 S   O    _O2_    23     1.23060   122.30497  -150.45779
   24    20 S   CT   _CB2    32     1.53141   111.18798   126.38435
   25    24 S   HC   HB21    33     1.09409   109.50984    53.06887
   26    24 S   HC   HB22    34     1.09488   111.04203   171.75974
   27    22 S   N    _N3_    24     1.38341   113.74480    37.20083
   28    27 S   H    _HN3    25     1.01552   119.51767    -3.51536
   29    24 S   S    _SG2    35     1.82763   110.97238   -69.20855
   30    27 S   CT   _CA3    26     1.45255   123.37324   177.21906
   31    30 S   HC   HA31    27     1.09544   107.55271   -64.39770
   32    30 S   HC   HA32    28     1.09554   107.97244    52.08031
   33    29 S   CT   _C21    36     1.82257    99.78857   151.06749
   34    33 S   HC   _H3_    37     1.09511   107.47665    47.03910
   35    33 S   HC   _H4_    38     1.09226   109.39817   160.43512
   36    30 S   CO3  _C3_    29     1.52988   113.97273   174.08209
   37    36 S   O2Z  _O31    30     1.26397   116.07393     0.80357
   38    36 S   O2Z  _O32    31     1.26421   114.42382  -179.16491
   39    33 S   CM   _C6_    39     1.50561   111.94111   -77.24436
   40    39 S   CMA  _C7_    40     1.35455   124.27146   118.42085
   41    40 S   OM   _O20    41     1.26353   128.21555     3.36895
   42    40 S   OS   _O22    42     1.41528   109.91523  -173.78912
   43    42 S   CT   _C13    43     1.43388   105.52635   -19.05504
   44    43 S   HC   _H37    44     1.09619   105.73041   -89.37326
   45    43 S   CM   _C4_    45     1.49732   107.57090   150.84142
   46    45 S   HC   _H28    46     1.08949   114.95876   -58.56444
   47    39 S   CT   _C14    62     1.51767   124.04151   -55.99086
   48    47 S   HC   _H38    63     1.09911   106.40146    75.72861
   49    45 S   CM   _C5_    47     1.34801   126.10046   128.03820
   50    49 S   CT   _C9_    48     1.51293   118.96183   165.58552
   51    50 S   HC   _H29    49     1.09717   110.20462    20.54114
   52    50 S   HC   _H30    50     1.09601   110.61407   137.37095
   53    49 S   CT   _C10    80     1.50816   124.16136    -3.35427
   54    53 S   HC   _H31    81     1.09617   112.19334   177.92755
   55    53 S   HC   _H32    82     1.09597   108.90728   -64.79455
   56    50 S   CT   _C11    51     1.53884   110.70765   -99.86450
   57    56 S   HC   _H33    52     1.09628   109.10315   162.44040
   58    56 S   HC   _H34    53     1.09548   109.79825   -82.03068
   59    56 S   C3T  _C15    54     1.50072   111.38959    41.78775
   60    59 S   HC   _H39    55     1.08231   112.69279    70.72712
   61    59 S   C3T  _C18    56     1.53713   121.66592   -79.94987
   62    61 S   CT   _C12    57     1.51335   117.70656   156.63212
   63    62 S   HC   _H35    58     1.09911   106.30359   119.87874
   64    62 S   HC   _H36    59     1.09888   110.05430     8.16462
   65    61 S   CO   _C17    77     1.51770   122.00048    -9.59835
   66    65 S   HC   _H41    78     1.09575   111.72878   -31.63521
   67    59 S   O3T  _O24    85     1.42019   116.67929  -148.04103
   68    62 S   CT   _C16    60     1.55260   118.88247  -117.38370
   69    68 S   HC   _H40    61     1.09407   111.77013   -44.96742
   70    65 S   OS   _O23    79     1.42663   111.20917    91.26506
   71    65 S   OH   _O25    83     1.42747   108.56729  -148.31734
   72    71 S   HO   _H51    84     0.97147   106.80735   157.52484
   73    68 S   OS   _O26    64     1.45433   103.61057  -161.40657
   74    73 S   CO4  _C8_    65     1.36642   118.22439    89.29644
   75    74 S   O    _O21    66     1.22333   125.84457     2.28722
   76    74 S   CT   _C22    67     1.51937   109.40139  -177.15352
   77    76 S   HC   _H50    68     1.09635   107.92245   -47.56855
   78    76 S   CT   _C19    69     1.52472   109.85577    72.08006
   79    78 S   HC   _H42    70     1.09573   111.20665    59.49832
   80    78 S   HC   _H43    71     1.09536   111.10677   -60.04004
   81    78 S   HC   _H44    72     1.09488   110.92942  -179.97202
   82    76 S   CT   _C20    73     1.52663   110.83652  -165.12702
   83    82 S   HC   _H45    74     1.09572   111.46407   -62.76401
   84    82 S   HC   _H46    75     1.09500   110.81269   176.85253
   85    82 S   HC   _H47    76     1.09551   110.80439    57.01522
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  13   6   5   8   3   2   8   5   4  11   4  12  11   6   5
   6   4   3   5   2   2   1   1   6  11   4   9   8   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    62    68    69    47    48    73  
   41    42    43    44    45    68    47    48  
   42    43    47  
   43    44    45    46    49    68    47    48  
   44    45    46    49    50    62    68    69    47    48    73    53  
   45    46    49    68    47    48  
   46    49    50    51    52    56    68    47    48    70    53    54    55  
   49    50    47    53  
   48    73    74    49    61    62    63    64    68    69  
   73    62    68    69  
   50    51    52    56    57    58    59    65    70    53    54    55  
   51    52    56    57    58    59    60    61    70    53    54    55    67  
   52    56    57    58    59    53  
   56    57    58    59    53  
   54    55    71    56    61    65    66    70  
   55    65    70  
   65    70  
   57    58    59    60    61    62    65    67  
   58    59    60    61    67  
   59    60    61    67  
   60    61    62    63    64    68    65    66    70    71    67  
   61    62    65    67  
   62    63    64    68    69    73    65    66    70    71    72    67  
   63    64    68    69    73    74    65    66    70    71    67  
   64    68    69    73    65    67  
   68    69    73    65    67  
   66    70    71    72    67    68  
   70    71    72    67  
   68    70    71  
   69    73    74    75    76  
   73    74  
   71    72  
   72  
    0  
   74    75    76    77    78    82  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   275.000  1.510
   59    60   340.000  1.088
   59    61   260.000  1.509
   59    67   335.000  1.432
   61    62   275.000  1.510
   61    65   275.000  1.510
   61    67   335.000  1.432
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    47   268.000  1.529
   68    73   320.000  1.410
   47    48   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   65    66   340.000  1.090
   65    70   320.000  1.380
   65    71   380.000  1.407
   70    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   71    72   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    68    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    68    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    53    70    85.00000  110.90400
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    70.00000  112.37300
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    59    60    40.00000  115.04500
   56    59    61    60.00000  120.94000
   56    59    67    80.00000  116.47100
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.38400
   59    56    58    45.00000  109.38400
   59    61    62    60.00000  120.94000
   59    61    65    60.00000  120.94000
   59    61    67    15.00000   60.43100
   59    67    61    15.00000   59.14900
   61    59    60    37.50000  117.20000
   61    62    63    45.00000  109.38400
   61    62    64    45.00000  109.38400
   61    62    68    70.00000  112.37300
   61    65    66    45.00000  112.01100
   61    65    70    90.00000  108.56700
   61    65    71    90.00000  110.19100
   62    68    69    37.50000  110.70000
   62    68    47    58.35000  112.70000
   62    68    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    47    48    37.50000  110.70000
   68    73    74    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    68    69    37.50000  110.70000
   73    68    69    35.00000  109.50000
   73    68    47    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    63.00000  111.10000
   74    76    82    63.00000  111.10000
   76    74    75    80.00000  120.40000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   65    61    62    75.00000  109.43000
   65    70    53    60.00000  109.50000
   65    71    72    70.00000  107.92000
   70    65    66    35.00000  109.50000
   70    53    54    35.00000  109.50000
   70    53    55    35.00000  109.50000
   53    49    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   71    65    66    60.00000  108.02500
   71    65    70   110.00000  112.08000
   67    59    60    50.00000  114.27700
   67    59    61    15.00000   60.43100
   67    61    62    80.00000  116.47100
   67    61    65    80.00000  116.47100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    68   0.46850  1.0 1.0
   33    39    47    68   0.08550 -1.0 2.0
   33    39    47    68   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    68   0.09850  1.0 1.0
   40    39    47    68   0.15250 -1.0 2.0
   40    39    47    68  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    68   0.62750  1.0 1.0
   42    43    47    68  -0.30950 -1.0 2.0
   42    43    47    68   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    53   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    68   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    68   0.34400  1.0 1.0
   45    43    47    68   0.09450 -1.0 2.0
   45    43    47    68   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    52   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    53    70   0.39000  1.0 1.0
   45    49    53    70  -0.05800 -1.0 2.0
   45    49    53    70  -0.55150  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    59   0.34400  1.0 1.0
   49    50    56    59   0.09450 -1.0 2.0
   49    50    56    59   0.11100  1.0 3.0
   50    49    53    70   0.09700  1.0 1.0
   50    49    53    70   0.15600 -1.0 2.0
   50    49    53    70  -0.50800  1.0 3.0
   50    49    53    54   0.34800  1.0 3.0
   50    49    53    55   0.34800  1.0 3.0
   50    56    59    60   0.15000  1.0 3.0
   50    56    59    61   0.07850  1.0 1.0
   50    56    59    61  -0.03950 -1.0 2.0
   50    56    59    61   0.67350  1.0 3.0
   50    56    59    67   0.02550  1.0 1.0
   50    56    59    67  -0.02600 -1.0 2.0
   50    56    59    67   1.20400  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   56    59    61    62   0.56750  1.0 1.0
   56    59    61    62  -0.07550 -1.0 2.0
   56    59    61    62   0.20000  1.0 3.0
   56    59    61    65   3.97050  1.0 1.0
   56    59   -61    67   0.02550  1.0 1.0
   56    59   -61    67  -0.02600 -1.0 2.0
   56    59   -61    67   1.20400  1.0 3.0
   56    59   -67    61   0.06250  1.0 1.0
   56    59   -67    61  -0.01100 -1.0 2.0
   56    59   -67    61   0.28050  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    67   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    67   0.23400  1.0 3.0
   59    61    62    63   0.15000  1.0 3.0
   59    61    62    64   0.15000  1.0 3.0
   59    61    62    68   0.07850  1.0 1.0
   59    61    62    68  -0.03950 -1.0 2.0
   59    61    62    68   0.67350  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    70  -0.26800  1.0 1.0
   59    61    65    70   0.69150 -1.0 2.0
   59    61    65    70  -0.48750  1.0 3.0
   59    61    65    71   0.86500  1.0 1.0
   59    61    65    71  -0.17500 -1.0 2.0
   59    61    65    71   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59   -61    67   0.23400  1.0 3.0
   60    59   -67    61   0.36800  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    47   0.47050  1.0 1.0
   61    62    68    47   0.03900 -1.0 2.0
   61    62    68    47   0.20100  1.0 3.0
   61    62    68    73  -0.26800  1.0 1.0
   61    62    68    73   0.69150 -1.0 2.0
   61    62    68    73  -0.48750  1.0 3.0
   61    65    70    53   0.06250  1.0 1.0
   61    65    70    53  -0.01100 -1.0 2.0
   61    65    70    53   0.28050  1.0 3.0
   61    65    71    72  -0.11600  1.0 1.0
   61    65    71    72  -0.09450 -1.0 2.0
   61    65    71    72   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    70   0.62750  1.0 1.0
   62    61    65    70  -0.30950 -1.0 2.0
   62    61    65    70   0.27300  1.0 3.0
   62    61    65    71   0.86500  1.0 1.0
   62    61    65    71  -0.17500 -1.0 2.0
   62    61    65    71   0.20800  1.0 3.0
   62    61   -67    59   0.06250  1.0 1.0
   62    61   -67    59  -0.01100 -1.0 2.0
   62    61   -67    59   0.28050  1.0 3.0
   62    68    47    39   0.34400  1.0 1.0
   62    68    47    39   0.09450 -1.0 2.0
   62    68    47    39   0.11100  1.0 3.0
   62    68    47    43   0.56750  1.0 1.0
   62    68    47    43  -0.07550 -1.0 2.0
   62    68    47    43   0.20000  1.0 3.0
   62    68    47    48   0.15000  1.0 3.0
   62    68    73    74  -0.25900  1.0 1.0
   62    68    73    74  -0.47000 -1.0 2.0
   62    68    73    74   0.11750  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    47   0.15000  1.0 3.0
   63    62    68    73   0.23400  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    47   0.15000  1.0 3.0
   64    62    68    73   0.23400  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    47    39   0.15000  1.0 3.0
   69    68    47    43   0.15000  1.0 3.0
   69    68    47    48   0.15000  1.0 3.0
   69    68    73    74   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    68    73    74  -0.25900  1.0 1.0
   47    68    73    74  -0.47000 -1.0 2.0
   47    68    73    74   0.11750  1.0 3.0
   73    68    47    39   0.61850  1.0 1.0
   73    68    47    39  -0.22750 -1.0 2.0
   73    68    47    39   0.15300  1.0 3.0
   73    68    47    43   0.62750  1.0 1.0
   73    68    47    43  -0.30950 -1.0 2.0
   73    68    47    43   0.27300  1.0 3.0
   73    68    47    48   0.23400  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.36750  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83  -0.11250  1.0 3.0
   74    76    82    84  -0.11250  1.0 3.0
   74    76    82    85  -0.11250  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    76    78    79   0.15000  1.0 3.0
   82    76    78    80   0.15000  1.0 3.0
   82    76    78    81   0.15000  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    68   3.97050  1.0 1.0
   65    61   -67    59   0.06250  1.0 1.0
   65    61   -67    59  -0.01100 -1.0 2.0
   65    61   -67    59   0.28050  1.0 3.0
   65    70    53    49  -0.77900  1.0 1.0
   65    70    53    49  -0.36900 -1.0 2.0
   65    70    53    49   0.40400  1.0 3.0
   65    70    53    54   0.37050  1.0 3.0
   65    70    53    55   0.37050  1.0 3.0
   66    65    70    53   0.37050  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   70    65    71    72  -0.50000  1.0 1.0
   70    65    71    72  -0.73950 -1.0 2.0
   70    65    71    72   0.17150  1.0 3.0
   53    49    50    51   0.34800  1.0 3.0
   53    49    50    52   0.34800  1.0 3.0
   53    49    50    56   0.46850  1.0 1.0
   53    49    50    56   0.08550 -1.0 2.0
   53    49    50    56   0.09800  1.0 3.0
   71    65    70    53  -0.70900  1.0 1.0
   71    65    70    53  -1.18000 -1.0 2.0
   71    65    70    53   0.91650  1.0 3.0
   67    59   -61    62   0.02550  1.0 1.0
   67    59   -61    62  -0.02600 -1.0 2.0
   67    59   -61    62   1.20400  1.0 3.0
   67    59   -61    65   0.02550  1.0 1.0
   67    59   -61    65  -0.02600 -1.0 2.0
   67    59   -61    65   1.20400  1.0 3.0
   67    61    62    63   0.23400  1.0 3.0
   67    61    62    64   0.23400  1.0 3.0
   67    61    62    68   0.02550  1.0 1.0
   67    61    62    68  -0.02600 -1.0 2.0
   67    61    62    68   1.20400  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    70   1.11900  1.0 1.0
   67    61    65    70  -1.16350 -1.0 2.0
   67    61    65    70  -0.34150  1.0 3.0
   67    61    65    71   3.69350  1.0 1.0
   67    61    65    71  -1.82950 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    53    49    45   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
