* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    191    279     544
    1     0 S   NP   _N1_     1    28.97832    97.99015   -20.45965
    2     1 S   H    _HN1     2     1.02837    50.82449   161.79374
    3     1 S   H    _H1_     3     1.02778    75.24611   -69.55940
    4     1 S   H    _H2_     4     1.02964    81.85836    41.91716
    5     1 S   CT   _CA1     5     1.50118   161.21855   174.20641
    6     5 S   HC   _HA1     6     1.09567   105.27102    48.93978
    7     5 S   CO3  _C1_     7     1.53818   112.37182   -71.38315
    8     7 S   O2Z  _O11     8     1.26364   115.01105   -43.11279
    9     7 S   O2Z  _O12     9     1.26232   114.95773   136.19366
   10     5 S   CT   _CB1    10     1.53100   107.43661   166.97146
   11    10 S   HC   HB11    11     1.09820   109.45271   -49.70563
   12    10 S   HC   HB12    12     1.09822   110.35155    66.85869
   13    10 S   CT   _CG1    13     1.53009   112.67549  -170.79878
   14    13 S   HC   HG11    14     1.09515   110.47392   -60.23002
   15    13 S   HC   HG12    15     1.09639   110.06549    58.83065
   16    13 S   C    _CD1    16     1.51817   112.20293   178.93854
   17    16 S   O    _OE1    17     1.22725   123.16650   -10.94077
   18    16 S   N    _N2_    18     1.38602   111.71832   169.96759
   19    18 S   H    _HN2    19     1.01587   119.03039     0.50163
   20    18 S   CT1  _CA2    20     1.46193   123.41521   179.25981
   21    20 S   HC   _HA2    21     1.09735   109.40288   -10.81600
   22    20 S   C    _C2_    22     1.53488   108.16269  -126.36211
   23    22 S   O    _O2_    23     1.23019   122.26701  -145.17345
   24    20 S   CT   _CB2    32     1.53423   111.64197   111.42068
   25    24 S   HC   HB21    33     1.09594   109.97682    54.38483
   26    24 S   HC   HB22    34     1.09434   109.90739   173.35223
   27    22 S   N    _N3_    24     1.38517   113.38144    42.09966
   28    27 S   H    _HN3    25     1.01522   118.93115    -0.53449
   29    24 S   S    _SG2    35     1.82752   111.94439   -66.94443
   30    27 S   CT   _CA3    26     1.45454   123.47266   175.30502
   31    30 S   HC   HA31    27     1.09521   109.29624    23.45135
   32    30 S   HC   HA32    28     1.09499   107.11117   140.44722
   33    29 S   CT   _C26    36     1.82918    99.81669   166.83514
   34    33 S   HC   _H3_    37     1.09452   106.53055  -170.06156
   35    33 S   HC   _H4_    38     1.09264   106.66981   -55.34980
   36    30 S   CO3  _C3_    29     1.52913   113.04941  -100.07516
   37    36 S   O2Z  _O31    30     1.26408   115.36332   -45.81555
   38    36 S   O2Z  _O32    31     1.26350   115.00965   135.10866
   39    33 S   CT   _C17    39     1.52727   113.92124    67.86230
   40    39 S   HC   _H45    40     1.09519   111.59010   -52.50060
   41    39 S   CO4  _C8_    41     1.51971   111.55823    69.79386
   42    41 S   O    _O26    42     1.22147   125.69437   -77.05381
   43    41 S   OS   _O33    43     1.37149   110.45599   102.87692
   44    43 S   CT   _C14    44     1.42430   108.78597    -3.76385
   45    44 S   HC   _H42    45     1.09712   106.61023   -92.04044
   46    44 S   CM   _C5_    46     1.49585   114.50398   148.50426
   47    46 S   HC   _H40    47     1.09148   112.40308   144.88700
   48    39 S   CT   _C18    60     1.53764   116.08031  -176.38307
   49    48 S   HC   _H46    61     1.09912   103.81655   161.51997
   50    46 S   CM   _C7_    48     1.34932   129.26267   -51.12589
   51    50 S   C3T  _C16    49     1.48119   118.56787  -154.48338
   52    51 S   HC   _H44    50     1.08642   113.31432   -53.70928
   53    50 S   CT   _C20   100     1.50477   125.19715    17.49838
   54    53 S   HC   _H48   101     1.09575   109.75266   136.27837
   55    53 S   HC   _H49   102     1.09064   113.35957    17.44305
   56    53 S   HC   _H50   103     1.09405   111.00423  -104.28038
   57    51 S   C3T  _C13    51     1.53254   116.58720    86.62055
   58    57 S   HC   _H41    52     1.08532   116.59287  -137.49578
   59    57 S   CM   _C4_    53     1.47981   123.73614    12.59880
   60    59 S   HC   _H39    54     1.09000   111.90565   104.26245
   61    51 S   O3T  _O34    99     1.42790   125.68847   155.12152
   62    59 S   CM   _C6_    55     1.34997   130.43969   -76.22309
   63    62 S   CT   _C15    56     1.51430   126.38599    -1.62245
   64    63 S   HC   _H43    57     1.09385   111.10484     2.41216
   65    62 S   CO4  _C9_    92     1.49370   117.45956   179.34988
   66    65 S   O    _O27    93     1.22230   123.52986   141.60300
   67    63 S   CT   _C19    58     1.57025   115.29499   125.98878
   68    67 S   HC   _H47    59     1.09742   109.24106    71.44777
   69    63 S   OS   _O37    85     1.45503   107.91281  -114.61983
   70    65 S   OS   _O36    94     1.36068   110.24685   -42.20607
   71    67 S   OS   _O38    62     1.45530   106.55378  -170.50243
   72    69 S   CO4  _C10    86     1.36172   118.16665    89.12715
   73    72 S   O    _O28    87     1.22291   126.45412    -0.55673
   74    70 S   CT   _C25    95     1.43067   115.26904  -176.97166
   75    74 S   HC   _H63    96     1.09325   108.09401  -179.15189
   76    74 S   HC   _H64    97     1.09427   110.21297    62.19948
   77    74 S   HC   _H65    98     1.09422   110.34088   -60.42257
   78    71 S   CO4  _C12    63     1.36550   118.73369   -89.74881
   79    78 S   O    _O30    64     1.22452   125.47931    -9.91377
   80    72 S   CT   _C21    88     1.49809   109.40841   179.01643
   81    80 S   HC   _H51    89     1.09297   109.76370   -62.40090
   82    80 S   HC   _H52    90     1.09373   109.36777   178.48032
   83    80 S   HC   _H53    91     1.09294   109.84716    59.48799
   84    78 S   CT   _C28    65     1.53111   110.35439   169.32720
   85    84 S   CT   _C24    66     1.53067   109.33799   -54.88024
   86    85 S   HC   _H60    67     1.09526   111.50882  -166.23613
   87    85 S   HC   _H61    68     1.09508   111.89766    71.77194
   88    85 S   HC   _H62    69     1.09653   110.68496   -48.44001
   89    84 S   CT   _C27    70     1.54556   110.69840    70.53795
   90    89 S   HC   _H68    71     1.09748   109.54557   -57.87660
   91    84 S   OH   _O35    83     1.42924   107.17122  -170.04811
   92    91 S   HO   _H69    84     0.97376   107.41806   -65.75381
   93    89 S   CT   _C23    72     1.53044   113.08360   179.49720
   94    93 S   HC   _H57    73     1.09525   111.20707   -58.36066
   95    93 S   HC   _H58    74     1.09344   111.70333    63.51398
   96    93 S   HC   _H59    75     1.09500   110.90345  -176.42867
   97    89 S   OS   _O39    76     1.45117   107.29913    60.65412
   98    97 S   CO4  _C11    77     1.36283   117.61533  -157.13990
   99    98 S   O    _O29    78     1.22302   126.30300     1.04586
  100    98 S   CT   _C22    79     1.49757   109.50599  -178.78373
  101   100 S   HC   _H54    80     1.09293   109.89818   -58.73195
  102   100 S   HC   _H55    81     1.09359   109.27617  -177.72136
  103   100 S   HC   _H56    82     1.09265   109.79872    63.10859
  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  10  11   5   5   2   1   1   7   4  10   4   1  11  12   6
   8   2   7   3   7   4   6   5   4   3   2   1   1  12   4   3
   2   1   1  14   9   4   3   2  11   7   3   1   5   3   2   1
   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    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    67    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    67    68    48    49    71  
   41    42    43    44    67    48    49  
   42    43    44    45    46    67    48    49  
   43    44    48  
   44    45    46    47    50    67    48    49  
   45    46    47    50    51    63    67    68    48    49    71    53  
   46    47    50    67    48    49  
   47    50    51    52    57    67    48    49    61    53    54    55    56  
   50    51    48    53  
   49    71    78    69    50    62    63    64    67    68  
   71    63    67    68  
   51    52    57    58    59    61    53    54    55    56  
   52    57    58    59    60    62    61    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57    61  
   55    56  
   56  
    0  
   58    59    60    62    63    65    61  
   59    60    62    61  
   60    62    63    64    67    69    65    66    70    61  
   62    63    65    61  
   62  
   63    64    67    68    71    69    72    65    66    70    74  
   64    67    68    71    78    69    72    73    80    65    66    70  
   67    68    71    69    72    65  
   66    70    74    75    76    77    67    69  
   70    74  
   68    71    78    79    84    69    72  
   71    78    69  
   72    73    80    81    82    83    71  
   74    75    76    77  
   78    79    84    85    89    91  
   73    80    81    82    83  
   80    81    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    84    85    86    87    88    89    90    93    97    91    92  
   84    85    89    91  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88    89    90    93    94    95    96    97    98    91    92  
   86    87    88    89    90    93    97    91    92  
   87    88    89    91  
   88    89    91  
   89    91  
   90    93    94    95    96    97    98    99   100    91    92  
   93    94    95    96    97    98    91  
   92    93    97  
    0  
   94    95    96    97    98  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   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   305.000  1.480
   50    53   317.000  1.510
   51    52   340.000  1.088
   51    57   260.000  1.509
   51    61   335.000  1.432
   57    58   340.000  1.088
   57    59   305.000  1.480
   57    61   335.000  1.432
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    65   320.000  1.462
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    48   268.000  1.529
   67    71   320.000  1.410
   48    49   340.000  1.090
   71    78   214.000  1.327
   78    79   570.000  1.229
   78    84   317.000  1.522
   84    85   268.000  1.529
   84    89   268.000  1.529
   84    91   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    97   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   214.000  1.327
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   91    92   553.000  0.945
   69    72   214.000  1.327
   72    73   570.000  1.229
   72    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   65    66   570.000  1.229
   65    70   214.000  1.327
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    67    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    67    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    55.00000  125.06700
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    40.00000  112.45000
   50    51    57    60.00000  120.58800
   50    51    61    85.00000  114.23300
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  117.20000
   51    57    59    60.00000  120.58800
   51    57    61    15.00000   60.43100
   51    61    57    15.00000   59.14900
   57    51    52    37.50000  117.20000
   57    59    60    40.00000  117.24000
   57    59    62    55.00000  125.06700
   59    57    58    40.00000  112.45000
   59    62    63    70.00000  124.00000
   59    62    65    65.00000  118.96000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    67    70.00000  112.02700
   62    63    69    85.00000  110.90400
   62    65    66    80.00000  123.72100
   62    65    70    90.00000  111.29400
   63    67    68    37.50000  110.70000
   63    67    48    58.35000  112.70000
   63    67    71    50.00000  109.50000
   63    69    72    83.00000  116.90000
   67    63    64    37.50000  110.70000
   67    48    49    37.50000  110.70000
   67    71    78    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    67    68    37.50000  110.70000
   71    67    68    35.00000  109.50000
   71    67    48    50.00000  109.50000
   71    78    79    83.00000  123.40000
   71    78    84    81.00000  111.40000
   78    84    85    63.00000  111.10000
   78    84    89    63.00000  111.10000
   78    84    91    90.00000  109.61100
   84    78    79    80.00000  120.40000
   84    85    86    37.50000  110.70000
   84    85    87    37.50000  110.70000
   84    85    88    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    93    58.35000  112.70000
   84    89    97    50.00000  109.50000
   84    91    92    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    84    85    58.35000  112.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   89    97    98    83.00000  116.90000
   93    89    90    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    89    90    35.00000  109.50000
   97    89    93    50.00000  109.50000
   97    98    99    83.00000  123.40000
   97    98   100    81.00000  111.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  100    98    99    80.00000  120.40000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   91    84    85    50.00000  109.50000
   91    84    89    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   69    72    73    83.00000  123.40000
   69    72    80    81.00000  111.40000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   80    72    73    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   65    62    63    65.00000  116.34900
   65    70    74    83.00000  116.90000
   70    65    66    83.00000  123.40000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    51    52    50.00000  114.27700
   61    51    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    85.00000  114.23300
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    67   0.56750  1.0 1.0
   33    39    48    67  -0.07550 -1.0 2.0
   33    39    48    67   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    67   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    67  -0.95700  1.0 1.0
   41    39    48    67  -0.18200 -1.0 2.0
   41    39    48    67   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    67   0.62750  1.0 1.0
   43    44    48    67  -0.30950 -1.0 2.0
   43    44    48    67   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    53   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    67   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    67   0.34400  1.0 1.0
   46    44    48    67   0.09450 -1.0 2.0
   46    44    48    67   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    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    51    61   0.39000  1.0 1.0
   46    50    51    61  -0.05800 -1.0 2.0
   46    50    51    61  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.31000  1.0 1.0
   50    51    57    59   0.14700 -1.0 2.0
   50    51    57    59   0.07550  1.0 3.0
   50    51   -57    61   0.61850  1.0 1.0
   50    51   -57    61  -0.22750 -1.0 2.0
   50    51   -57    61   0.15300  1.0 3.0
   50    51   -61    57  -0.77900  1.0 1.0
   50    51   -61    57  -0.36900 -1.0 2.0
   50    51   -61    57   0.40400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    59    60   0.00000  1.0 1.0
   51    57    59    62   0.09850  1.0 1.0
   51    57    59    62   0.15250 -1.0 2.0
   51    57    59    62  -0.50650  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    61   0.23400  1.0 3.0
   52    51   -61    57   0.36800  1.0 3.0
   57    59    62    63   7.00000 -1.0 2.0
   57    59    62    65   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   58    57   -61    51   0.36800  1.0 3.0
   59    57   -61    51  -0.77900  1.0 1.0
   59    57   -61    51  -0.36900 -1.0 2.0
   59    57   -61    51   0.40400  1.0 3.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    67   0.09850  1.0 1.0
   59    62    63    67   0.15250 -1.0 2.0
   59    62    63    67  -0.50650  1.0 3.0
   59    62    63    69   0.39000  1.0 1.0
   59    62    63    69  -0.05800 -1.0 2.0
   59    62    63    69  -0.55150  1.0 3.0
   59    62    65    66   1.00000 -1.0 2.0
   59    62    65    70  -0.56150  1.0 1.0
   59    62    65    70   2.19150 -1.0 2.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    65   7.00000 -1.0 2.0
   62    63    67    68   0.15000  1.0 3.0
   62    63    67    48   0.34400  1.0 1.0
   62    63    67    48   0.09450 -1.0 2.0
   62    63    67    48   0.11100  1.0 3.0
   62    63    67    71   0.61850  1.0 1.0
   62    63    67    71  -0.22750 -1.0 2.0
   62    63    67    71   0.15300  1.0 3.0
   62    63    69    72  -0.82050  1.0 1.0
   62    63    69    72   0.00600 -1.0 2.0
   62    63    69    72   0.04400  1.0 3.0
   62    65    70    74   2.00000 -1.0 2.0
   63    62    65    66  -0.64400  1.0 1.0
   63    62    65    66   0.26850 -1.0 2.0
   63    62    65    70  -0.15000  1.0 1.0
   63    62    65    70   0.89550 -1.0 2.0
   63    62    65    70  -0.06900  1.0 3.0
   63    67    48    39   0.56750  1.0 1.0
   63    67    48    39  -0.07550 -1.0 2.0
   63    67    48    39   0.20000  1.0 3.0
   63    67    48    44   0.56750  1.0 1.0
   63    67    48    44  -0.07550 -1.0 2.0
   63    67    48    44   0.20000  1.0 3.0
   63    67    48    49   0.15000  1.0 3.0
   63    67    71    78  -0.25900  1.0 1.0
   63    67    71    78  -0.47000 -1.0 2.0
   63    67    71    78   0.11750  1.0 3.0
   63    69    72    73   3.00000 -1.0 2.0
   63    69    72    80   1.63150  1.0 1.0
   63    69    72    80   2.92000 -1.0 2.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    48   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    69    72   0.08050  1.0 3.0
   67    63    69    72  -0.25900  1.0 1.0
   67    63    69    72  -0.47000 -1.0 2.0
   67    63    69    72   0.11750  1.0 3.0
   67    71    78    79   3.00000 -1.0 2.0
   67    71    78    84   1.63150  1.0 1.0
   67    71    78    84   2.92000 -1.0 2.0
   68    67    48    39   0.15000  1.0 3.0
   68    67    48    44   0.15000  1.0 3.0
   68    67    48    49   0.15000  1.0 3.0
   68    67    71    78   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    67    71    78  -0.25900  1.0 1.0
   48    67    71    78  -0.47000 -1.0 2.0
   48    67    71    78   0.11750  1.0 3.0
   71    67    48    39   0.62750  1.0 1.0
   71    67    48    39  -0.30950 -1.0 2.0
   71    67    48    39   0.27300  1.0 3.0
   71    67    48    44   0.62750  1.0 1.0
   71    67    48    44  -0.30950 -1.0 2.0
   71    67    48    44   0.27300  1.0 3.0
   71    67    48    49   0.23400  1.0 3.0
   71    78    84    85   0.36750  1.0 3.0
   71    78    84    89   0.36750  1.0 3.0
   71    78    84    91   0.30750  1.0 1.0
   71    78    84    91   1.13850 -1.0 2.0
   71    78    84    91   0.38850  1.0 3.0
   78    84    85    86  -0.11250  1.0 3.0
   78    84    85    87  -0.11250  1.0 3.0
   78    84    85    88  -0.11250  1.0 3.0
   78    84    89    90  -0.11250  1.0 3.0
   78    84    89    93  -0.95700  1.0 1.0
   78    84    89    93  -0.18200 -1.0 2.0
   78    84    89    93   0.29450  1.0 3.0
   78    84    89    97  -0.09450  1.0 1.0
   78    84    89    97  -1.12950 -1.0 2.0
   78    84    89    97   0.54000  1.0 3.0
   78    84    91    92   0.91850  1.0 1.0
   78    84    91    92   0.57950  1.0 3.0
   79    78    84    85   0.30150 -1.0 2.0
   79    78    84    89   0.30150 -1.0 2.0
   79    78    84    91   0.30150 -1.0 2.0
   84    89    93    94   0.15000  1.0 3.0
   84    89    93    95   0.15000  1.0 3.0
   84    89    93    96   0.15000  1.0 3.0
   84    89    97    98  -0.25900  1.0 1.0
   84    89    97    98  -0.47000 -1.0 2.0
   84    89    97    98   0.11750  1.0 3.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    93   0.56750  1.0 1.0
   85    84    89    93  -0.07550 -1.0 2.0
   85    84    89    93   0.20000  1.0 3.0
   85    84    89    97   0.62750  1.0 1.0
   85    84    89    97  -0.30950 -1.0 2.0
   85    84    89    97   0.27300  1.0 3.0
   85    84    91    92  -0.11600  1.0 1.0
   85    84    91    92  -0.09450 -1.0 2.0
   85    84    91    92   0.21250  1.0 3.0
   89    84    85    86   0.15000  1.0 3.0
   89    84    85    87   0.15000  1.0 3.0
   89    84    85    88   0.15000  1.0 3.0
   89    84    91    92  -0.11600  1.0 1.0
   89    84    91    92  -0.09450 -1.0 2.0
   89    84    91    92   0.21250  1.0 3.0
   89    97    98    99   3.00000 -1.0 2.0
   89    97    98   100   1.63150  1.0 1.0
   89    97    98   100   2.92000 -1.0 2.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    95   0.15000  1.0 3.0
   90    89    93    96   0.15000  1.0 3.0
   90    89    97    98   0.08050  1.0 3.0
   93    89    97    98  -0.25900  1.0 1.0
   93    89    97    98  -0.47000 -1.0 2.0
   93    89    97    98   0.11750  1.0 3.0
   97    89    93    94   0.23400  1.0 3.0
   97    89    93    95   0.23400  1.0 3.0
   97    89    93    96   0.23400  1.0 3.0
   97    98   100   101   0.00000  1.0 1.0
   97    98   100   102   0.00000  1.0 1.0
   97    98   100   103   0.00000  1.0 1.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.00000  1.0 1.0
   99    98   100   103   0.00000  1.0 1.0
   91    84    85    86   0.23400  1.0 3.0
   91    84    85    87   0.23400  1.0 3.0
   91    84    85    88   0.23400  1.0 3.0
   91    84    89    90   0.23400  1.0 3.0
   91    84    89    93   0.86500  1.0 1.0
   91    84    89    93  -0.17500 -1.0 2.0
   91    84    89    93   0.20800  1.0 3.0
   91    84    89    97   3.69350  1.0 1.0
   91    84    89    97  -1.82950 -1.0 2.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    48   0.62750  1.0 1.0
   69    63    67    48  -0.30950 -1.0 2.0
   69    63    67    48   0.27300  1.0 3.0
   69    63    67    71   1.11900  1.0 1.0
   69    63    67    71  -1.16350 -1.0 2.0
   69    63    67    71  -0.34150  1.0 3.0
   69    72    80    81   0.00000  1.0 1.0
   69    72    80    82   0.00000  1.0 1.0
   69    72    80    83   0.00000  1.0 1.0
   73    72    80    81   0.00000  1.0 1.0
   73    72    80    82   0.00000  1.0 1.0
   73    72    80    83   0.00000  1.0 1.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    67   0.09700  1.0 1.0
   65    62    63    67   0.15600 -1.0 2.0
   65    62    63    67  -0.50800  1.0 3.0
   65    62    63    69   0.09700  1.0 1.0
   65    62    63    69   0.15600 -1.0 2.0
   65    62    63    69  -0.50800  1.0 3.0
   65    70    74    75   0.08050  1.0 3.0
   65    70    74    76   0.08050  1.0 3.0
   65    70    74    77   0.08050  1.0 3.0
   66    65    70    74   3.00000 -1.0 2.0
   61    51   -57    58   0.23400  1.0 3.0
   61    51   -57    59   0.61850  1.0 1.0
   61    51   -57    59  -0.22750 -1.0 2.0
   61    51   -57    59   0.15300  1.0 3.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    62   0.39000  1.0 1.0
   61    57    59    62  -0.05800 -1.0 2.0
   61    57    59    62  -0.55150  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    61   0.09700  1.0 1.0
   53    50    51    61   0.15600 -1.0 2.0
   53    50    51    61  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   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    53    50    46   1.10000 -1.0 2.0
   57    60    59    62   1.10000 -1.0 2.0
   65    63    62    59   1.10000 -1.0 2.0
   71    84    78    79  10.50000 -1.0 2.0
   97   100    98    99  10.50000 -1.0 2.0
   69    80    72    73  10.50000 -1.0 2.0
   62    70    65    66  10.50000 -1.0 2.0
END
