* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    168    260     491
    1     0 S   NP   _N1_     1    28.81563    96.08308   -24.79178
    2     1 S   H    _HN1     2     1.02788   114.42584   -93.75870
    3     1 S   H    _H1_     3     1.02949    72.28963     8.85579
    4     1 S   H    _H2_     4     1.02828    35.22435   179.57710
    5     1 S   CT   _CA1     5     1.50121   129.30403   111.05296
    6     5 S   HC   _HA1     6     1.09575   105.17519    94.27506
    7     5 S   CO3  _C1_     7     1.53777   112.48075   -25.93080
    8     7 S   O2Z  _O11     8     1.26373   115.00263   -42.13196
    9     7 S   O2Z  _O12     9     1.26242   114.94366   136.94689
   10     5 S   CT   _CB1    10     1.53073   107.41134  -147.75564
   11    10 S   HC   HB11    11     1.09836   109.33022   -49.66298
   12    10 S   HC   HB12    12     1.09812   110.46659    66.93598
   13    10 S   CT   _CG1    13     1.53001   112.62825  -170.63215
   14    13 S   HC   HG11    14     1.09577   110.66882   -66.74480
   15    13 S   HC   HG12    15     1.09673   109.74375    52.49163
   16    13 S   C    _CD1    16     1.51809   112.14678   172.93436
   17    16 S   O    _OE1    17     1.22740   123.25650     9.22518
   18    16 S   N    _N2_    18     1.38664   111.73079  -170.81500
   19    18 S   H    _HN2    19     1.01577   118.93316     1.43108
   20    18 S   CT1  _CA2    20     1.46190   123.36322   176.70753
   21    20 S   HC   _HA2    21     1.09739   109.33132     4.59760
   22    20 S   C    _C2_    22     1.53594   108.69791  -110.85709
   23    22 S   O    _O2_    23     1.23065   122.25698  -148.19084
   24    20 S   CT   _CB2    32     1.53260   111.66451   126.61329
   25    24 S   HC   HB21    33     1.09592   110.36249    56.13994
   26    24 S   HC   HB22    34     1.09535   110.14288   175.32928
   27    22 S   N    _N3_    24     1.38316   113.76552    39.26543
   28    27 S   H    _HN3    25     1.01569   119.60917    -3.24214
   29    24 S   S    _SG2    35     1.82572   111.72025   -64.86189
   30    27 S   CT   _CA3    26     1.45285   123.25060   177.17333
   31    30 S   HC   HA31    27     1.09548   107.50824   -64.74603
   32    30 S   HC   HA32    28     1.09556   107.99607    51.70594
   33    29 S   CT   _C21    36     1.82665    98.58127  -178.65797
   34    33 S   HC   _H3_    37     1.09533   107.96779   -62.29284
   35    33 S   HC   _H4_    38     1.09027   106.80470    53.65391
   36    30 S   CO3  _C3_    29     1.52971   114.05151   173.70235
   37    36 S   O2Z  _O31    30     1.26381   116.06824    -0.70914
   38    36 S   O2Z  _O32    31     1.26426   114.41435   179.35229
   39    33 S   CT   _C13    39     1.53527   110.67230   175.48065
   40    39 S   HC   _H38    40     1.09639   112.54553   -38.41797
   41    39 S   CO4  _C6_    41     1.51071   109.10306    83.61387
   42    41 S   O    _O20    42     1.22084   125.98843   -80.81495
   43    41 S   OS   _O22    43     1.36723   109.70022    97.33178
   44    43 S   CT   _C12    44     1.44037   109.81344     1.17487
   45    44 S   HC   _H37    45     1.09480   106.66736   -94.59635
   46    44 S   CM   _C4_    46     1.49462   107.49689   145.00926
   47    46 S   HC   _H28    47     1.08931   115.17971   -50.71246
   48    39 S   CT   _C14    63     1.54681   115.86818  -164.18597
   49    48 S   HC   _H39    64     1.10194   105.59120   166.40677
   50    46 S   CM   _C5_    48     1.34802   126.08118   134.70091
   51    50 S   CT   _C8_    49     1.51365   119.29335   167.84703
   52    51 S   HC   _H29    50     1.09788   110.22272    19.39671
   53    51 S   HC   _H30    51     1.09602   110.51439   136.29960
   54    50 S   CT   _C9_    81     1.50795   123.81375    -1.17753
   55    54 S   HC   _H31    82     1.09610   112.30035   177.64898
   56    54 S   HC   _H32    83     1.09590   109.04817   -64.87719
   57    51 S   CT   _C10    52     1.53849   110.88600  -100.91116
   58    57 S   HC   _H33    53     1.09637   109.07660   163.46054
   59    57 S   HC   _H34    54     1.09537   109.94999   -80.85912
   60    57 S   C3T  _C15    55     1.49935   111.08875    43.04742
   61    60 S   HC   _H40    56     1.08291   112.58349    70.55020
   62    60 S   C3T  _C18    57     1.53735   121.44923   -80.07861
   63    62 S   CT   _C11    58     1.51350   117.34989   155.54820
   64    63 S   HC   _H35    59     1.09904   106.55527   116.83051
   65    63 S   HC   _H36    60     1.09839   110.20871     4.62063
   66    62 S   CO   _C17    78     1.51879   122.11181   -10.10488
   67    66 S   HC   _H42    79     1.09576   111.72994   -31.63577
   68    60 S   O3T  _O24    86     1.41974   116.96585  -148.22854
   69    63 S   CT   _C16    61     1.54552   118.35882  -120.88267
   70    69 S   HC   _H41    62     1.09390   111.55930   -46.35853
   71    66 S   OS   _O23    80     1.42840   111.22252    91.28396
   72    66 S   OH   _O25    84     1.42742   108.48456  -148.31853
   73    72 S   HO   _H52    85     0.97165   106.87741   156.59647
   74    69 S   OS   _O26    65     1.46216   104.67967  -163.90374
   75    74 S   CO4  _C7_    66     1.36509   118.21056    90.93796
   76    75 S   O    _O21    67     1.22316   125.89758    -2.07528
   77    75 S   CT   _C22    68     1.51645   109.35488   178.32544
   78    77 S   HC   _H51    69     1.09728   108.30184   -30.14198
   79    77 S   CT   _C19    70     1.52277   109.39945    89.26075
   80    79 S   HC   _H43    71     1.09573   111.29848    60.85546
   81    79 S   HC   _H44    72     1.09549   110.86510   -58.60824
   82    79 S   HC   _H45    73     1.09481   110.91591  -178.61945
   83    77 S   CT   _C20    74     1.52558   110.44956  -147.63904
   84    83 S   HC   _H46    75     1.09564   111.53065   -63.27338
   85    83 S   HC   _H47    76     1.09493   110.77830   176.36197
   86    83 S   HC   _H48    77     1.09565   110.75030    56.47437
  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   4   2   1   1  13   7   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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    69    70    48    49    74  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    69    48    49  
   45    46    47    50    51    63    69    70    48    49    74    54  
   46    47    50    69    48    49  
   47    50    51    52    53    57    69    48    49    71    54    55    56  
   50    51    48    54  
   49    74    75    50    62    63    64    65    69    70  
   74    63    69    70  
   51    52    53    57    58    59    60    66    71    54    55    56  
   52    53    57    58    59    60    61    62    71    54    55    56    68  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    72    57    62    66    67    71  
   56    66    71  
   66    71  
   58    59    60    61    62    63    66    68  
   59    60    61    62    68  
   60    61    62    68  
   61    62    63    64    65    69    66    67    71    72    68  
   62    63    66    68  
   63    64    65    69    70    74    66    67    71    72    73    68  
   64    65    69    70    74    75    66    67    71    72    68  
   65    69    70    74    66    68  
   69    70    74    66    68  
   67    71    72    73    68    69  
   71    72    73    68  
   69    71    72  
   70    74    75    76    77  
   74    75  
   72    73  
   73  
    0  
   75    76    77    78    79    83  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    83  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   275.000  1.510
   60    61   340.000  1.088
   60    62   260.000  1.509
   60    68   335.000  1.432
   62    63   275.000  1.510
   62    66   275.000  1.510
   62    68   335.000  1.432
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   66    67   340.000  1.090
   66    71   320.000  1.380
   66    72   380.000  1.407
   71    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   72    73   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    71    85.00000  110.90400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    70.00000  112.37300
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    40.00000  115.04500
   57    60    62    60.00000  120.94000
   57    60    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    45.00000  109.38400
   60    57    59    45.00000  109.38400
   60    62    63    60.00000  120.94000
   60    62    66    60.00000  120.94000
   60    62    68    15.00000   60.43100
   60    68    62    15.00000   59.14900
   62    60    61    37.50000  117.20000
   62    63    64    45.00000  109.38400
   62    63    65    45.00000  109.38400
   62    63    69    70.00000  112.37300
   62    66    67    45.00000  112.01100
   62    66    71    90.00000  108.56700
   62    66    72    90.00000  110.19100
   63    69    70    37.50000  110.70000
   63    69    48    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   74    69    70    35.00000  109.50000
   74    69    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    63.00000  111.10000
   75    77    83    63.00000  111.10000
   77    75    76    80.00000  120.40000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   66    62    63    75.00000  109.43000
   66    71    54    60.00000  109.50000
   66    72    73    70.00000  107.92000
   71    66    67    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    35.00000  109.50000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   72    66    67    60.00000  108.02500
   72    66    71   110.00000  112.08000
   68    60    61    50.00000  114.27700
   68    60    62    15.00000   60.43100
   68    62    63    80.00000  116.47100
   68    62    66    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    54    71   0.39000  1.0 1.0
   46    50    54    71  -0.05800 -1.0 2.0
   46    50    54    71  -0.55150  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    60   0.34400  1.0 1.0
   50    51    57    60   0.09450 -1.0 2.0
   50    51    57    60   0.11100  1.0 3.0
   51    50    54    71   0.09700  1.0 1.0
   51    50    54    71   0.15600 -1.0 2.0
   51    50    54    71  -0.50800  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.07850  1.0 1.0
   51    57    60    62  -0.03950 -1.0 2.0
   51    57    60    62   0.67350  1.0 3.0
   51    57    60    68   0.02550  1.0 1.0
   51    57    60    68  -0.02600 -1.0 2.0
   51    57    60    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    60    62    63   0.56750  1.0 1.0
   57    60    62    63  -0.07550 -1.0 2.0
   57    60    62    63   0.20000  1.0 3.0
   57    60    62    66   3.97050  1.0 1.0
   57    60   -62    68   0.02550  1.0 1.0
   57    60   -62    68  -0.02600 -1.0 2.0
   57    60   -62    68   1.20400  1.0 3.0
   57    60   -68    62   0.06250  1.0 1.0
   57    60   -68    62  -0.01100 -1.0 2.0
   57    60   -68    62   0.28050  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    68   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    68   0.23400  1.0 3.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    65   0.15000  1.0 3.0
   60    62    63    69   0.07850  1.0 1.0
   60    62    63    69  -0.03950 -1.0 2.0
   60    62    63    69   0.67350  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    71  -0.26800  1.0 1.0
   60    62    66    71   0.69150 -1.0 2.0
   60    62    66    71  -0.48750  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60   -62    68   0.23400  1.0 3.0
   61    60   -68    62   0.36800  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    48   0.47050  1.0 1.0
   62    63    69    48   0.03900 -1.0 2.0
   62    63    69    48   0.20100  1.0 3.0
   62    63    69    74  -0.26800  1.0 1.0
   62    63    69    74   0.69150 -1.0 2.0
   62    63    69    74  -0.48750  1.0 3.0
   62    66    71    54   0.06250  1.0 1.0
   62    66    71    54  -0.01100 -1.0 2.0
   62    66    71    54   0.28050  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.62750  1.0 1.0
   63    62    66    71  -0.30950 -1.0 2.0
   63    62    66    71   0.27300  1.0 3.0
   63    62    66    72   0.86500  1.0 1.0
   63    62    66    72  -0.17500 -1.0 2.0
   63    62    66    72   0.20800  1.0 3.0
   63    62   -68    60   0.06250  1.0 1.0
   63    62   -68    60  -0.01100 -1.0 2.0
   63    62   -68    60   0.28050  1.0 3.0
   63    69    48    39   0.56750  1.0 1.0
   63    69    48    39  -0.07550 -1.0 2.0
   63    69    48    39   0.20000  1.0 3.0
   63    69    48    44   0.56750  1.0 1.0
   63    69    48    44  -0.07550 -1.0 2.0
   63    69    48    44   0.20000  1.0 3.0
   63    69    48    49   0.15000  1.0 3.0
   63    69    74    75  -0.25900  1.0 1.0
   63    69    74    75  -0.47000 -1.0 2.0
   63    69    74    75   0.11750  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    74   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    74   0.23400  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   1.63150  1.0 1.0
   69    74    75    77   2.92000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    74    75  -0.25900  1.0 1.0
   48    69    74    75  -0.47000 -1.0 2.0
   48    69    74    75   0.11750  1.0 3.0
   74    69    48    39   0.62750  1.0 1.0
   74    69    48    39  -0.30950 -1.0 2.0
   74    69    48    39   0.27300  1.0 3.0
   74    69    48    44   0.62750  1.0 1.0
   74    69    48    44  -0.30950 -1.0 2.0
   74    69    48    44   0.27300  1.0 3.0
   74    69    48    49   0.23400  1.0 3.0
   74    75    77    78   0.00000  1.0 1.0
   74    75    77    79   0.36750  1.0 3.0
   74    75    77    83   0.36750  1.0 3.0
   75    77    79    80  -0.11250  1.0 3.0
   75    77    79    81  -0.11250  1.0 3.0
   75    77    79    82  -0.11250  1.0 3.0
   75    77    83    84  -0.11250  1.0 3.0
   75    77    83    85  -0.11250  1.0 3.0
   75    77    83    86  -0.11250  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.30150 -1.0 2.0
   76    75    77    83   0.30150 -1.0 2.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   83    77    79    80   0.15000  1.0 3.0
   83    77    79    81   0.15000  1.0 3.0
   83    77    79    82   0.15000  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    69   3.97050  1.0 1.0
   66    62   -68    60   0.06250  1.0 1.0
   66    62   -68    60  -0.01100 -1.0 2.0
   66    62   -68    60   0.28050  1.0 3.0
   66    71    54    50  -0.77900  1.0 1.0
   66    71    54    50  -0.36900 -1.0 2.0
   66    71    54    50   0.40400  1.0 3.0
   66    71    54    55   0.37050  1.0 3.0
   66    71    54    56   0.37050  1.0 3.0
   67    66    71    54   0.37050  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   71    66    72    73  -0.50000  1.0 1.0
   71    66    72    73  -0.73950 -1.0 2.0
   71    66    72    73   0.17150  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    57   0.46850  1.0 1.0
   54    50    51    57   0.08550 -1.0 2.0
   54    50    51    57   0.09800  1.0 3.0
   72    66    71    54  -0.70900  1.0 1.0
   72    66    71    54  -1.18000 -1.0 2.0
   72    66    71    54   0.91650  1.0 3.0
   68    60   -62    63   0.02550  1.0 1.0
   68    60   -62    63  -0.02600 -1.0 2.0
   68    60   -62    63   1.20400  1.0 3.0
   68    60   -62    66   0.02550  1.0 1.0
   68    60   -62    66  -0.02600 -1.0 2.0
   68    60   -62    66   1.20400  1.0 3.0
   68    62    63    64   0.23400  1.0 3.0
   68    62    63    65   0.23400  1.0 3.0
   68    62    63    69   0.02550  1.0 1.0
   68    62    63    69  -0.02600 -1.0 2.0
   68    62    63    69   1.20400  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    71   1.11900  1.0 1.0
   68    62    66    71  -1.16350 -1.0 2.0
   68    62    66    71  -0.34150  1.0 3.0
   68    62    66    72   3.69350  1.0 1.0
   68    62    66    72  -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
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
END
