* LIGAND DATABASE FILE (OPLS2005)
*
001     107   109    201    291     578
    1     0 S   NP   _N1_     1    29.26776    98.16259   -20.44587
    2     1 S   H    _HN1     2     1.02837    54.60113   162.38564
    3     1 S   H    _H1_     3     1.02778    79.13391   -76.26774
    4     1 S   H    _H2_     4     1.02961    73.61426    36.69788
    5     1 S   CT   _CA1     5     1.50101   164.69943   144.30341
    6     5 S   HC   _HA1     6     1.09574   105.25291    74.80892
    7     5 S   CO3  _C1_     7     1.53813   112.44355   -45.44187
    8     7 S   O2Z  _O11     8     1.26360   115.00387   -43.10862
    9     7 S   O2Z  _O12     9     1.26244   114.93859   136.18802
   10     5 S   CT   _CB1    10     1.53110   107.44680  -167.23698
   11    10 S   HC   HB11    11     1.09820   109.41403   -50.86484
   12    10 S   HC   HB12    12     1.09820   110.38157    65.72697
   13    10 S   CT   _CG1    13     1.52968   112.59900  -171.97586
   14    13 S   HC   HG11    14     1.09581   110.34287   -62.90032
   15    13 S   HC   HG12    15     1.09648   110.03802    56.28971
   16    13 S   C    _CD1    16     1.51781   112.44118   176.82103
   17    16 S   O    _OE1    17     1.22703   123.32624    -2.87766
   18    16 S   N    _N2_    18     1.38553   111.50092   177.18527
   19    18 S   H    _HN2    19     1.01594   119.02803     2.05443
   20    18 S   CT1  _CA2    20     1.46063   123.56047  -178.84056
   21    20 S   HC   _HA2    21     1.09695   109.50207   -15.78698
   22    20 S   C    _C2_    22     1.53539   107.98255  -131.84920
   23    22 S   O    _O2_    23     1.23039   122.30631  -145.10425
   24    20 S   CT   _CB2    32     1.53183   111.46654   106.76937
   25    24 S   HC   HB21    33     1.09564   109.62167    54.44824
   26    24 S   HC   HB22    34     1.09531   110.09917   172.90505
   27    22 S   N    _N3_    24     1.38507   113.35564    42.01135
   28    27 S   H    _HN3    25     1.01519   118.95671    -0.30196
   29    24 S   S    _SG2    35     1.82978   113.23153   -67.19971
   30    27 S   CT   _CA3    26     1.45420   123.33886   175.87479
   31    30 S   HC   HA31    27     1.09534   109.15572    25.68437
   32    30 S   HC   HA32    28     1.09494   107.13084   142.64219
   33    29 S   CT   _C11    36     1.83231    98.63501   163.16904
   34    33 S   HC   _H7_    37     1.09687   104.38624   -75.41215
   35    30 S   CO3  _C3_    29     1.52914   113.19973   -97.76848
   36    35 S   O2Z  _O31    30     1.26400   115.44467   -43.66484
   37    35 S   O2Z  _O32    31     1.26364   114.94998   137.30300
   38    33 S   CT   _C10    38     1.53752   113.81450   165.92468
   39    38 S   HC   _H6_    39     1.09961   108.05679    65.46591
   40    33 S   OS   _O34    53     1.42487   111.15442    41.19122
   41    38 S   CT   _C7_    40     1.54351   112.09724  -174.92677
   42    41 S   HC   _H5_    41     1.09962   109.42446   159.80829
   43    38 S   CO4  _C27   101     1.52489   113.68969   -50.76631
   44    43 S   O    _O45   102     1.22579   122.94796   127.03033
   45    41 S   CT   _C8_    42     1.53471   112.69851   -80.52663
   46    45 S   HC   _H17    43     1.09332   112.96237    38.77710
   47    45 S   HC   _H18    44     1.09294   111.35133   -86.04333
   48    43 S   OS   _O46   103     1.36136   111.61019   -54.52167
   49    45 S   CO4  _C9_    45     1.50728   102.43387   155.58881
   50    49 S   O    _O33    46     1.22502   123.43826   166.89700
   51    48 S   CT   _C28   104     1.43002   115.48498  -179.63043
   52    51 S   HC   _H33   105     1.09327   108.07844  -179.20845
   53    51 S   HC   _H34   106     1.09415   110.25659    62.12292
   54    51 S   HC   _H35   107     1.09421   110.31893   -60.52447
   55    49 S   CT   _C5_    47     1.51456   112.67957   -13.43845
   56    55 S   HC   _H3_    48     1.09455   109.56722  -128.36849
   57    41 S   CT   _C6_    49     1.54507   114.38197    38.05162
   58    57 S   HC   _H4_    50     1.09776   109.87300    79.59100
   59    55 S   CT   _C4_    97     1.52175   109.85874   110.15558
   60    59 S   HC   _H14    98     1.09528   111.98694   -54.94898
   61    59 S   HC   _H15    99     1.09471   110.70261  -175.84244
   62    59 S   HC   _H16   100     1.09544   110.54919    64.50778
   63    57 S   CO   _C12    51     1.53783   111.74420   -40.16739
   64    63 S   HC   _H8_    52     1.09767   110.68925   -67.15667
   65    63 S   OS   _O35    54     1.43314   108.76768   174.28677
   66    65 S   CO   _C13    55     1.43459   112.10319  -177.22773
   67    66 S   HC   _H9_    56     1.09799   108.15185    58.68420
   68    66 S   CT   _C14    57     1.53182   108.99008   177.21371
   69    68 S   HC   _H10    58     1.09779   110.74219    57.54193
   70    68 S   CT   _C15    59     1.53680   110.12744   178.40566
   71    70 S   HC   _H11    60     1.09812   110.77524    72.56037
   72    68 S   OS   _O43    90     1.44630   108.85871   -63.76650
   73    70 S   CT   _C16    61     1.53743   111.56019   -49.44196
   74    73 S   HC   _H12    62     1.09844   109.34366   -72.11086
   75    70 S   OS   _O41    83     1.44937   108.35093  -167.56611
   76    72 S   CO4  _C25    91     1.36189   117.93022    98.37516
   77    76 S   O    _O44    92     1.22299   126.64688     0.56475
   78    73 S   CT   _C17    63     1.53418   110.83686    48.56407
   79    78 S   HC   _H13    64     1.09775   110.93679    65.39293
   80    73 S   OS   _O39    76     1.44534   108.84548   167.08022
   81    75 S   CO4  _C23    84     1.36161   118.23755   -96.26514
   82    81 S   O    _O42    85     1.22286   126.63311     0.19881
   83    76 S   CT   _C26    93     1.49839   109.35641  -179.45607
   84    83 S   HC   _H30    94     1.09297   109.82346   -60.56074
   85    83 S   HC   _H31    95     1.09377   109.36975  -179.59652
   86    83 S   HC   _H32    96     1.09293   109.80645    61.34948
   87    66 S   OS   _O36    65     1.42798   111.10221   -62.38719
   88    78 S   CT   _C18    66     1.53250   111.36881  -173.66525
   89    88 S   HC   _H19    67     1.09561   110.25109    61.76132
   90    88 S   HC   _H20    68     1.09593   112.20616   -58.23760
   91    80 S   CO4  _C21    77     1.36197   118.04039    95.55126
   92    91 S   O    _O40    78     1.22289   126.58809     0.87268
   93    81 S   CT   _C24    86     1.49836   109.37017  -179.83449
   94    93 S   HC   _H27    87     1.09289   109.81310   -61.36665
   95    93 S   HC   _H28    88     1.09377   109.36942   179.56931
   96    93 S   HC   _H29    89     1.09297   109.82084    60.54213
   97    88 S   OS   _O37    69     1.44303   110.55795   178.49728
   98    91 S   CT   _C22    79     1.49843   109.39289  -179.12508
   99    98 S   HC   _H24    80     1.09293   109.83234   -60.65504
  100    98 S   HC   _H25    81     1.09377   109.36726  -179.69999
  101    98 S   HC   _H26    82     1.09292   109.80804    61.25175
  102    97 S   CO4  _C19    70     1.36115   117.47805    84.40495
  103   102 S   O    _O38    71     1.22308   126.44646    -2.25681
  104   102 S   CT   _C20    72     1.49896   109.55323   179.22671
  105   104 S   HC   _H21    73     1.09337   110.07943   -46.90218
  106   104 S   HC   _H22    74     1.09350   109.30911  -165.14296
  107   104 S   HC   _H23    75     1.09235   109.75144    74.88914
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  16   8   9  17   9   8   2  10   5   4   4
  10   4   3   2   1   1  10   7   9   4   4   2   1   1   6   2
   8  13   6  14   7  15   7   9  14   7   8   5   4   9   6   8
   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1   1
   6   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    63    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    57    63    64    40    65    43    44    48  
   38    39    41    63    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    57    58    63    40    43    44    48    51  
   41    42    45    57    40    43    44    48  
   65    66    43    41    55    57    58    63    64  
   42    45    46    47    49    50    55    56    57    58    63    64    65    59    43    44    48  
   45    46    47    49    55    57    58    63    43  
   44    48    51    52    53    54    45    57  
   48    51  
   46    47    49    50    55    56    57    58    63    59  
   47    49    50    55    57  
   49    50    55    57  
   51    52    53    54  
   50    55    56    57    58    63    59    60    61    62  
   55    56    57    59  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    63    64    65    59    60    61    62  
   57    58    63    59    60    61    62  
   58    63    64    65    66    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    87  
   65    66  
   66    67    68    69    70    78    87    72  
   67    68    69    70    71    73    78    79    87    88    75    72    76  
   68    69    70    78    87    72  
   69    70    71    73    74    78    87    80    75    81    72    76    77    83  
   70    71    73    87    75    72    76  
   71    73    74    78    79    87    88    80    91    75    81    82    93    72    76  
   73    74    78    80    75    81    72  
   76    77    83    84    85    86    73    75    87  
   74    78    79    87    88    89    90    97    80    91    92    98    75    81  
   78    79    87    88    80    91    75  
   81    82    93    94    95    96    78    80  
   77    83    84    85    86  
   83    84    85    86  
   79    87    88    89    90    97   102    80    91  
   87    88    89    90    97    80  
   91    92    98    99   100   101    87    88  
   82    93    94    95    96  
   93    94    95    96  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    97  
   89    90    97   102   103   104  
   90    97   102  
   97   102  
   92    98    99   100   101  
   98    99   100   101  
   94    95    96  
   95    96  
   96  
    0  
  102   103   104   105   106   107  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    57   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.522
   49    50   570.000  1.229
   49    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   250.000  1.527
   63    64   340.000  1.090
   63    40   320.000  1.380
   63    65   320.000  1.380
   65    66   320.000  1.380
   66    67   340.000  1.090
   66    68   250.000  1.527
   66    87   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    75   320.000  1.410
   73    74   340.000  1.090
   73    78   268.000  1.529
   73    80   320.000  1.410
   78    79   340.000  1.090
   78    87   320.000  1.410
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    97   320.000  1.410
   97   102   214.000  1.327
  102   103   570.000  1.229
  102   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   80    91   214.000  1.327
   91    92   570.000  1.229
   91    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   75    81   214.000  1.327
   81    82   570.000  1.229
   81    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    63    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    57    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    63.00000  111.10000
   41    57    55    58.35000  112.70000
   41    57    58    37.50000  110.70000
   41    57    63    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    80.00000  120.40000
   45    49    55    70.00000  116.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    57    63.00000  111.10000
   49    55    59    63.00000  111.10000
   55    49    50    80.00000  120.40000
   55    57    58    37.50000  110.70000
   55    57    63    75.00000  109.43000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    41    42    37.50000  110.70000
   57    41    45    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    63    64    45.00000  112.01100
   57    63    40    90.00000  108.56700
   57    63    65    90.00000  108.56700
   63    57    58    45.00000  108.72000
   63    65    66   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    63    64    35.00000  109.50000
   65    63    64    35.00000  109.50000
   65    63    40    92.60000  111.55000
   65    66    67    35.00000  109.50000
   65    66    68    90.00000  108.56700
   65    66    87    92.60000  111.55000
   66    68    69    45.00000  108.72000
   66    68    70    75.00000  109.43000
   66    68    72    90.00000  109.38000
   66    87    78    60.00000  109.50000
   68    66    67    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    70    75    50.00000  109.50000
   68    72    76    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    78    58.35000  112.70000
   70    73    80    50.00000  109.50000
   70    75    81    83.00000  116.90000
   73    70    71    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    87    50.00000  109.50000
   73    78    88    58.35000  112.70000
   73    80    91    83.00000  116.90000
   78    73    74    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    97    50.00000  109.50000
   87    66    67    35.00000  109.50000
   87    66    68    90.00000  108.56700
   87    78    79    35.00000  109.50000
   88    78    79    37.50000  110.70000
   88    78    87    50.00000  109.50000
   88    97   102    83.00000  116.90000
   90    88    89    33.00000  107.80000
   97    88    89    35.00000  109.50000
   97    88    90    35.00000  109.50000
   97   102   103    83.00000  123.40000
   97   102   104    81.00000  111.40000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  104   102   103    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    78    50.00000  109.50000
   80    91    92    83.00000  123.40000
   80    91    98    81.00000  111.40000
   91    98    99    35.00000  109.50000
   91    98   100    35.00000  109.50000
   91    98   101    35.00000  109.50000
   98    91    92    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    73    50.00000  109.50000
   75    81    82    83.00000  123.40000
   75    81    93    81.00000  111.40000
   81    93    94    35.00000  109.50000
   81    93    95    35.00000  109.50000
   81    93    96    35.00000  109.50000
   93    81    82    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    76    77    83.00000  123.40000
   72    76    83    81.00000  111.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   83    76    77    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    63   0.14700  1.0 1.0
   29    33    40    63  -1.16150 -1.0 2.0
   29    33    40    63   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    57   0.56750  1.0 1.0
   33    38    41    57  -0.07550 -1.0 2.0
   33    38    41    57   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    63   0.37050  1.0 3.0
   38    33    40    63   0.06250  1.0 1.0
   38    33    40    63  -0.01100 -1.0 2.0
   38    33    40    63   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49  -0.95700  1.0 1.0
   38    41    45    49  -0.18200 -1.0 2.0
   38    41    45    49   0.29450  1.0 3.0
   38    41    57    55   0.56750  1.0 1.0
   38    41    57    55  -0.07550 -1.0 2.0
   38    41    57    55   0.20000  1.0 3.0
   38    41    57    58   0.15000  1.0 3.0
   38    41   -57    63   3.97050  1.0 1.0
   38    43    48    51   1.63150  1.0 1.0
   38    43    48    51   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    57   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45   -49    55   0.60050  1.0 1.0
   41    45   -49    55   0.05600 -1.0 2.0
   41    45   -49    55   0.26150  1.0 3.0
   41    57    63    64   0.15000  1.0 3.0
   41    57    63    40   0.62750  1.0 1.0
   41    57    63    40  -0.30950 -1.0 2.0
   41    57    63    40   0.27300  1.0 3.0
   41    57    63    65   0.62750  1.0 1.0
   41    57    63    65  -0.30950 -1.0 2.0
   41    57    63    65   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49  -0.11250  1.0 3.0
   42    41    57    55   0.15000  1.0 3.0
   42    41    57    58   0.15000  1.0 3.0
   42    41    57    63   0.15000  1.0 3.0
   45    41   -57    55   0.56750  1.0 1.0
   45    41   -57    55  -0.07550 -1.0 2.0
   45    41   -57    55   0.20000  1.0 3.0
   45    41    57    58   0.15000  1.0 3.0
   45    41    57    63   3.97050  1.0 1.0
   45    49    55    56   0.00000  1.0 1.0
   45    49   -55    57   0.60050  1.0 1.0
   45    49   -55    57   0.05600 -1.0 2.0
   45    49   -55    57   0.26150  1.0 3.0
   45    49    55    59   0.60050  1.0 1.0
   45    49    55    59   0.05600 -1.0 2.0
   45    49    55    59   0.26150  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    55   0.00000  1.0 1.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    55   0.00000  1.0 1.0
   49    55   -57    41  -0.95700  1.0 1.0
   49    55   -57    41  -0.18200 -1.0 2.0
   49    55   -57    41   0.29450  1.0 3.0
   49    55    57    58  -0.11250  1.0 3.0
   49    55    57    63  -0.95700  1.0 1.0
   49    55    57    63  -0.18200 -1.0 2.0
   49    55    57    63   0.29450  1.0 3.0
   49    55    59    60  -0.11250  1.0 3.0
   49    55    59    61  -0.11250  1.0 3.0
   49    55    59    62  -0.11250  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.30150 -1.0 2.0
   50    49    55    59   0.30150 -1.0 2.0
   55    57    63    64   0.15000  1.0 3.0
   55    57    63    40   0.62750  1.0 1.0
   55    57    63    40  -0.30950 -1.0 2.0
   55    57    63    40   0.27300  1.0 3.0
   55    57    63    65   0.62750  1.0 1.0
   55    57    63    65  -0.30950 -1.0 2.0
   55    57    63    65   0.27300  1.0 3.0
   56    55    57    41   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    63   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   57    41    45    46   0.15000  1.0 3.0
   57    41    45    47   0.15000  1.0 3.0
   57    41   -45    49  -0.95700  1.0 1.0
   57    41   -45    49  -0.18200 -1.0 2.0
   57    41   -45    49   0.29450  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    62   0.15000  1.0 3.0
   57    63   -40    33   0.06250  1.0 1.0
   57    63   -40    33  -0.01100 -1.0 2.0
   57    63   -40    33   0.28050  1.0 3.0
   57    63    65    66   0.06250  1.0 1.0
   57    63    65    66  -0.01100 -1.0 2.0
   57    63    65    66   0.28050  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    40   0.23400  1.0 3.0
   58    57    63    65   0.23400  1.0 3.0
   63    65    66    67   0.37050  1.0 3.0
   63    65    66    68   0.06250  1.0 1.0
   63    65    66    68  -0.01100 -1.0 2.0
   63    65    66    68   0.28050  1.0 3.0
   63    65    66    87  -0.53350  1.0 1.0
   63    65    66    87  -0.78350 -1.0 2.0
   63    65    66    87   0.33750  1.0 3.0
   64    63    40    33   0.37050  1.0 3.0
   64    63    65    66   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    63    65    66  -0.53350  1.0 1.0
   40    63    65    66  -0.78350 -1.0 2.0
   40    63    65    66   0.33750  1.0 3.0
   65    63    40    33  -0.81800  1.0 1.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.11900  1.0 1.0
   65    66    68    72  -1.16350 -1.0 2.0
   65    66    68    72  -0.34150  1.0 3.0
   65    66    87    78  -0.81800  1.0 1.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    73   3.97050  1.0 1.0
   66    68    70    75   0.62750  1.0 1.0
   66    68    70    75  -0.30950 -1.0 2.0
   66    68    70    75   0.27300  1.0 3.0
   66    68    72    76  -0.25900  1.0 1.0
   66    68    72    76  -0.47000 -1.0 2.0
   66    68    72    76   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    87    78   0.37050  1.0 3.0
   68    66    87    78   0.06250  1.0 1.0
   68    66    87    78  -0.01100 -1.0 2.0
   68    66    87    78   0.28050  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    78   0.56750  1.0 1.0
   68    70   -73    78  -0.07550 -1.0 2.0
   68    70   -73    78   0.20000  1.0 3.0
   68    70    73    80   0.62750  1.0 1.0
   68    70    73    80  -0.30950 -1.0 2.0
   68    70    73    80   0.27300  1.0 3.0
   68    70    75    81  -0.25900  1.0 1.0
   68    70    75    81  -0.47000 -1.0 2.0
   68    70    75    81   0.11750  1.0 3.0
   68    72    76    77   3.00000 -1.0 2.0
   68    72    76    83   1.63150  1.0 1.0
   68    72    76    83   2.92000 -1.0 2.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    75   0.23400  1.0 3.0
   69    68    72    76   0.08050  1.0 3.0
   70    68    72    76  -0.25900  1.0 1.0
   70    68    72    76  -0.47000 -1.0 2.0
   70    68    72    76   0.11750  1.0 3.0
   70    73    78    79   0.15000  1.0 3.0
   70    73    78    87   0.62750  1.0 1.0
   70    73    78    87  -0.30950 -1.0 2.0
   70    73    78    87   0.27300  1.0 3.0
   70    73    78    88   0.56750  1.0 1.0
   70    73    78    88  -0.07550 -1.0 2.0
   70    73    78    88   0.20000  1.0 3.0
   70    73    80    91  -0.25900  1.0 1.0
   70    73    80    91  -0.47000 -1.0 2.0
   70    73    80    91   0.11750  1.0 3.0
   70    75    81    82   3.00000 -1.0 2.0
   70    75    81    93   1.63150  1.0 1.0
   70    75    81    93   2.92000 -1.0 2.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    78   0.15000  1.0 3.0
   71    70    73    80   0.23400  1.0 3.0
   71    70    75    81   0.08050  1.0 3.0
   73    70    75    81  -0.25900  1.0 1.0
   73    70    75    81  -0.47000 -1.0 2.0
   73    70    75    81   0.11750  1.0 3.0
   73    78   -87    66   0.06250  1.0 1.0
   73    78   -87    66  -0.01100 -1.0 2.0
   73    78   -87    66   0.28050  1.0 3.0
   73    78    88    89   0.15000  1.0 3.0
   73    78    88    90   0.15000  1.0 3.0
   73    78    88    97   0.62750  1.0 1.0
   73    78    88    97  -0.30950 -1.0 2.0
   73    78    88    97   0.27300  1.0 3.0
   73    80    91    92   3.00000 -1.0 2.0
   73    80    91    98   1.63150  1.0 1.0
   73    80    91    98   2.92000 -1.0 2.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    87   0.23400  1.0 3.0
   74    73    78    88   0.15000  1.0 3.0
   74    73    80    91   0.08050  1.0 3.0
   78    73    80    91  -0.25900  1.0 1.0
   78    73    80    91  -0.47000 -1.0 2.0
   78    73    80    91   0.11750  1.0 3.0
   78    88    97   102  -0.25900  1.0 1.0
   78    88    97   102  -0.47000 -1.0 2.0
   78    88    97   102   0.11750  1.0 3.0
   79    78    87    66   0.37050  1.0 3.0
   79    78    88    89   0.15000  1.0 3.0
   79    78    88    90   0.15000  1.0 3.0
   79    78    88    97   0.23400  1.0 3.0
   87    66    68    69   0.23400  1.0 3.0
   87    66   -68    70   0.62750  1.0 1.0
   87    66   -68    70  -0.30950 -1.0 2.0
   87    66   -68    70   0.27300  1.0 3.0
   87    66    68    72   1.11900  1.0 1.0
   87    66    68    72  -1.16350 -1.0 2.0
   87    66    68    72  -0.34150  1.0 3.0
   87    78    88    89   0.23400  1.0 3.0
   87    78    88    90   0.23400  1.0 3.0
   87    78    88    97   1.11900  1.0 1.0
   87    78    88    97  -1.16350 -1.0 2.0
   87    78    88    97  -0.34150  1.0 3.0
   88    78    87    66   0.06250  1.0 1.0
   88    78    87    66  -0.01100 -1.0 2.0
   88    78    87    66   0.28050  1.0 3.0
   88    97   102   103   3.00000 -1.0 2.0
   88    97   102   104   1.63150  1.0 1.0
   88    97   102   104   2.92000 -1.0 2.0
   89    88    97   102   0.08050  1.0 3.0
   90    88    97   102   0.08050  1.0 3.0
   97   102   104   105   0.00000  1.0 1.0
   97   102   104   106   0.00000  1.0 1.0
   97   102   104   107   0.00000  1.0 1.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106   0.00000  1.0 1.0
  103   102   104   107   0.00000  1.0 1.0
   80    73    78    79   0.23400  1.0 3.0
   80    73    78    87   1.11900  1.0 1.0
   80    73    78    87  -1.16350 -1.0 2.0
   80    73    78    87  -0.34150  1.0 3.0
   80    73    78    88   0.62750  1.0 1.0
   80    73    78    88  -0.30950 -1.0 2.0
   80    73    78    88   0.27300  1.0 3.0
   80    91    98    99   0.00000  1.0 1.0
   80    91    98   100   0.00000  1.0 1.0
   80    91    98   101   0.00000  1.0 1.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   100   0.00000  1.0 1.0
   92    91    98   101   0.00000  1.0 1.0
   75    70    73    74   0.23400  1.0 3.0
   75    70    73    78   0.62750  1.0 1.0
   75    70    73    78  -0.30950 -1.0 2.0
   75    70    73    78   0.27300  1.0 3.0
   75    70    73    80   1.11900  1.0 1.0
   75    70    73    80  -1.16350 -1.0 2.0
   75    70    73    80  -0.34150  1.0 3.0
   75    81    93    94   0.00000  1.0 1.0
   75    81    93    95   0.00000  1.0 1.0
   75    81    93    96   0.00000  1.0 1.0
   82    81    93    94   0.00000  1.0 1.0
   82    81    93    95   0.00000  1.0 1.0
   82    81    93    96   0.00000  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    73   0.62750  1.0 1.0
   72    68    70    73  -0.30950 -1.0 2.0
   72    68    70    73   0.27300  1.0 3.0
   72    68    70    75   1.11900  1.0 1.0
   72    68    70    75  -1.16350 -1.0 2.0
   72    68    70    75  -0.34150  1.0 3.0
   72    76    83    84   0.00000  1.0 1.0
   72    76    83    85   0.00000  1.0 1.0
   72    76    83    86   0.00000  1.0 1.0
   77    76    83    84   0.00000  1.0 1.0
   77    76    83    85   0.00000  1.0 1.0
   77    76    83    86   0.00000  1.0 1.0
   59    55    57    41   0.56750  1.0 1.0
   59    55    57    41  -0.07550 -1.0 2.0
   59    55    57    41   0.20000  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   3.97050  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    57  -0.95700  1.0 1.0
   43    38    41    57  -0.18200 -1.0 2.0
   43    38    41    57   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
   97   104   102   103  10.50000 -1.0 2.0
   80    98    91    92  10.50000 -1.0 2.0
   75    93    81    82  10.50000 -1.0 2.0
   72    83    76    77  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
