* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    195    315     583
    1     0 S   NP   _N1_     1    33.85915   101.41609   -12.94988
    2     1 S   H    _HN1     2     1.02770    73.85742  -137.69282
    3     1 S   H    _H1_     3     1.02969    34.67221    35.92075
    4     1 S   H    _H2_     4     1.02823   115.14627   119.66854
    5     1 S   CT   _CA1     5     1.50171   128.75245   -31.84325
    6     5 S   HC   _HA1     6     1.09583   105.18292  -148.32761
    7     5 S   CO3  _C1_     7     1.53804   112.33667    91.68079
    8     7 S   O2Z  _O11     8     1.26358   115.00690   -43.10103
    9     7 S   O2Z  _O12     9     1.26245   114.91062   135.76408
   10     5 S   CT   _CB1    10     1.53068   107.32197   -30.60032
   11    10 S   HC   HB11    11     1.09819   109.18546   -51.41018
   12    10 S   HC   HB12    12     1.09823   110.43772    65.07042
   13    10 S   CT   _CG1    13     1.52976   112.77536  -172.64481
   14    13 S   HC   HG11    14     1.09613   110.24099   -64.47893
   15    13 S   HC   HG12    15     1.09637   110.17178    54.71519
   16    13 S   C    _CD1    16     1.51827   112.23737   174.80669
   17    16 S   O    _OE1    17     1.22740   123.35921   -10.18414
   18    16 S   N    _N2_    18     1.38546   111.70835   170.36387
   19    18 S   H    _HN2    19     1.01582   118.93591     4.41579
   20    18 S   CT1  _CA2    20     1.45643   122.92693  -179.44964
   21    20 S   HC   _HA2    21     1.09661   109.05539    25.26105
   22    20 S   C    _C2_    22     1.52987   106.31824   -91.92902
   23    22 S   O    _O2_    23     1.23008   122.73557   -36.43269
   24    20 S   CT   _CB2    32     1.53163   112.17921   149.19318
   25    24 S   HC   HB21    33     1.09474   111.43975    36.40994
   26    24 S   HC   HB22    34     1.09357   109.26354   153.76046
   27    22 S   N    _N3_    24     1.38649   112.45755   146.54688
   28    27 S   H    _HN3    25     1.01546   119.70260     0.54032
   29    24 S   S    _SG2    35     1.82723   115.62835   -88.57487
   30    27 S   CT   _CA3    26     1.45409   123.10309   177.89439
   31    30 S   HC   HA31    27     1.09528   109.58261    23.46577
   32    30 S   HC   HA32    28     1.09516   107.21396   140.31157
   33    29 S   CT   _C12    36     1.82968   101.60605    57.91608
   34    33 S   HC   _H5_    37     1.09167   105.39107   -61.59509
   35    30 S   CO3  _C3_    29     1.52677   112.25031   -99.69555
   36    35 S   O2Z  _O31    30     1.26486   115.12978   -71.54881
   37    35 S   O2Z  _O32    31     1.26286   115.26220   108.38836
   38    33 S   CM   _C11    38     1.52874   109.67242  -178.03876
   39    33 S   OS   _O34    54     1.43205   114.05258    52.25664
   40    38 S   CMA  _C10    39     1.37048   122.91249    93.88217
   41    40 S   OM   _O45    40     1.26752   124.79509     2.87133
   42    40 S   OS   _O33    41     1.41080   116.86889  -176.95464
   43    42 S   CT   _C9_    42     1.42595   116.82831    25.61739
   44    43 S   HC   _H17    43     1.09477   107.60240  -179.36758
   45    43 S   HC   _H18    44     1.09703   110.00143    63.77439
   46    43 S   CT   _C8_    45     1.50879   108.93755   -60.00914
   47    46 S   HC   _H15    46     1.09554   110.95005  -176.31347
   48    46 S   HC   _H16    47     1.09555   108.49721   -58.45665
   49    38 S   CT   _C7_    48     1.51747   113.52656   -86.61198
   50    49 S   HC   _H4_    49     1.10035   106.20797    67.76673
   51    49 S   CT   _C6_    50     1.54348   110.88556   -48.88092
   52    51 S   HC   _H3_    51     1.09973   107.08982   170.78256
   53    51 S   CO   _C13    52     1.53943   109.85992    53.92186
   54    53 S   HC   _H6_    53     1.09708   107.82178  -170.08220
   55    51 S   CM   _C5_   103     1.51664   113.82695   -69.18603
   56    55 S   HC   _H14   104     1.08805   117.77526    58.66034
   57    53 S   OS   _O35    55     1.43476   108.62419    72.16354
   58    55 S   CM   _C4_   105     1.33848   123.92601  -121.88322
   59    58 S   HC   _H12   106     1.08480   120.37416  -179.70064
   60    58 S   HC   _H13   107     1.08428   121.64683     0.25793
   61    57 S   CO   _C14    56     1.43507   113.00377   144.54783
   62    61 S   HC   _H7_    57     1.09779   108.38090    55.29125
   63    61 S   CT   _C15    58     1.53615   107.64856   175.32354
   64    63 S   HC   _H8_    59     1.09823   109.03035    51.53983
   65    63 S   CT   _C16    60     1.53469   110.97522   173.29580
   66    65 S   HC   _H9_    61     1.09583   109.87584    74.40282
   67    63 S   OS   _O40    76     1.44707   108.18335   -67.58510
   68    65 S   CT   _C17    62     1.53060   112.00940   -48.09188
   69    68 S   HC   _H10    63     1.09705   109.08015   -71.93999
   70    65 S   OH   _O39    74     1.42934   110.11846  -169.38272
   71    70 S   HO   _H23    75     0.97257   108.23441    56.13036
   72    67 S   CO4  _C20    77     1.35579   117.46195   147.38617
   73    72 S   O    _O41    78     1.21950   128.16504    -3.21656
   74    68 S   CT   _C18    64     1.52919   110.51900    49.32907
   75    74 S   HC   _H11    65     1.09836   111.09836    63.84760
   76    68 S   OH   _O38    72     1.42614   109.71994   171.14761
   77    76 S   HO   _H22    73     0.97269   108.20028   -56.51667
   78    72 S   CA   _C21    79     1.47565   108.72979  -178.87900
   79    61 S   OS   _O36    66     1.43051   110.16916   -65.51922
   80    74 S   CT   _C19    67     1.52943   111.63838  -175.12729
   81    80 S   HC   _H19    68     1.09500   111.04317    69.08388
   82    80 S   HC   _H20    69     1.09396   111.56414   -53.38043
   83    78 S   CA   _C22    80     1.41389   121.40442   -57.94167
   84    80 S   OH   _O37    70     1.42490   108.95318  -172.29569
   85    84 S   HO   _H21    71     0.97236   107.09252  -178.51681
   86    83 S   CA   _C23    81     1.40783   117.77707   176.29826
   87    86 S   HA   _H24    82     1.08827   119.63547   179.80517
   88    83 S   CA   _C27    91     1.47368   123.84521    -3.66057
   89    86 S   CA   _C24    83     1.39405   121.07351    -0.09065
   90    88 S   CA   _C28    92     1.40436   121.32824   -63.44744
   91    90 S   HA   _H28    93     1.08801   120.45281     0.50822
   92    89 S   CA   _C25    84     1.38802   120.78055     2.28053
   93    92 S   HA   _H25    85     1.08637   120.30568   179.08208
   94    89 S   OH   _O43    89     1.36659   120.69197  -177.47346
   95    94 S   HO   _H27    90     0.97699   108.36859    14.37461
   96    90 S   CA   _C29    94     1.39835   120.82089  -179.45249
   97    96 S   HA   _H29    95     1.08635   119.80288  -179.66604
   98    78 S   CA   _C26    86     1.40575   118.15173   120.84702
   99    96 S   CA   _C30    96     1.39321   120.23228     0.13122
  100    99 S   HA   _H30    97     1.08588   120.00958  -179.93439
  101    98 S   OH   _O42    87     1.36987   123.16116     2.81751
  102   101 S   HO   _H26    88     0.97230   109.68548     7.42397
  103    99 S   CA   _C31    98     1.38995   119.38729     0.37273
  104    88 S   CA   _C32    99     1.40535   120.41540   117.83213
  105   104 S   HA   _H31   100     1.08669   119.88592    -0.32264
  106   103 S   OH   _O44   101     1.36656   118.48831   179.63150
  107   106 S   HO   _H32   102     0.97405   108.51806  -176.44004
  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
  13   5   2   1   1  14   9   9   3   7   8   5   4   8   4   3
   9   4  10   6   9   3   5   3   8   2   1   1  13   6  14   7
  13   7   8  12   7   3   1   8   3   9   6   3   1  12   4   4
   3   2  14   1   1  10   4  11   6   8   4   6   3   2   1   6
   3   2   6   3   1   1   4   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    49    53    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    46    49    50    51    53    54    39    57  
   38    40    49    53    39  
   36    37  
   37  
    0  
   40    41    42    43    46    47    48    49    50    51    52    53    39    55  
   57    61    55    40    49    51    52    53    54  
   41    42    43    44    45    46    49    50    51  
   42    43    49  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53    55  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    57    55    56    58  
   51    52    53    55  
   52    53    54    57    61    55    56    58    59    60  
   53    54    57    55    56    58  
   54    57    61    62    63    79    55    56    58  
   57    61    55  
   56    58    59    60    57  
   58    59    60  
   61    62    63    64    65    74    79    67  
   59    60  
   60  
    0  
   62    63    64    65    66    68    74    75    79    80    70    67    72  
   63    64    65    74    79    67  
   64    65    66    68    69    74    79    76    70    71    67    72    73    78  
   65    66    68    79    70    67    72  
   66    68    69    74    75    79    80    76    77    70    71    67    72  
   68    69    74    76    70    71    67  
   72    73    78    83    98    68    70    79  
   69    74    75    79    80    81    82    84    76    77    70    71  
   74    75    79    80    76    77    70  
   71    74    76  
    0  
   73    78    83    86    92    98   101    88  
   78    83    98  
   75    79    80    81    82    84    85    76    77  
   79    80    81    82    84    76  
   77    79    80  
    0  
   83    86    87    89    92    93    98   101   102    88    90   104  
   80    81    82    84  
   81    82    84    85  
   82    84    85  
   84    85  
   86    87    89    92    98   101    94    88    90    91    96   103   104   105  
   85  
    0  
   87    89    92    93    98    94    95    88    90   104  
   89    92    94    88  
   90    91    96    97    99   103   104   105   106    89    98  
   92    93    98   101    94    95  
   91    96    97    99   100   103   104   105  
   96    97    99   104  
   93    98   101   102    94    95  
   98   101    94  
   95    98  
    0  
   97    99   100   103   104   106  
   99   100   103  
  101   102  
  100   103   104   105   106   107  
  103   104   106  
  102  
    0  
  104   105   106   107  
  105   106   107  
  106  
  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   0.387900   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.625000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   89   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  104   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  106   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    49   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   250.000  1.527
   51    55   317.000  1.510
   53    54   340.000  1.090
   53    39   320.000  1.380
   53    57   320.000  1.380
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   250.000  1.527
   61    79   320.000  1.380
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    70   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   320.000  1.410
   74    75   340.000  1.090
   74    79   320.000  1.410
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   320.000  1.410
   84    85   553.000  0.945
   76    77   553.000  0.945
   70    71   553.000  0.945
   67    72   214.000  1.327
   72    73   570.000  1.229
   72    78   310.000  1.470
   78    83   469.000  1.400
   78    98   469.000  1.400
   83    86   469.000  1.400
   83    88   375.000  1.464
   86    87   367.000  1.080
   86    89   469.000  1.400
   89    92   469.000  1.400
   89    94   450.000  1.364
   92    93   367.000  1.080
   92    98   469.000  1.400
   98   101   450.000  1.364
  101   102   553.000  0.945
   94    95   553.000  0.945
   88    90   469.000  1.400
   88   104   469.000  1.400
   90    91   367.000  1.080
   90    96   469.000  1.400
   96    97   367.000  1.080
   96    99   469.000  1.400
   99   100   367.000  1.080
   99   103   469.000  1.400
  103   104   469.000  1.400
  103   106   450.000  1.364
  104   105   367.000  1.080
  106   107   553.000  0.945
   55    56   340.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    53    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    50    35.00000  109.50000
   38    49    51    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    38    40    70.00000  124.00000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    75.00000  109.43000
   49    51    55    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    53    54    45.00000  112.01100
   51    53    39    90.00000  108.56700
   51    53    57    90.00000  108.56700
   51    55    56    35.00000  117.00000
   51    55    58    70.00000  124.00000
   53    51    52    45.00000  108.72000
   53    57    61   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    53    54    35.00000  109.50000
   57    53    54    35.00000  109.50000
   57    53    39    92.60000  111.55000
   57    61    62    35.00000  109.50000
   57    61    63    90.00000  108.56700
   57    61    79    92.60000  111.55000
   61    63    64    45.00000  108.72000
   61    63    65    75.00000  109.43000
   61    63    67    90.00000  109.38000
   61    79    74    60.00000  109.50000
   63    61    62    45.00000  112.01100
   63    65    66    37.50000  110.70000
   63    65    68    58.35000  112.70000
   63    65    70    50.00000  109.50000
   63    67    72    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    74    58.35000  112.70000
   65    68    76    50.00000  109.50000
   65    70    71    55.00000  108.50000
   68    65    66    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    74    80    58.35000  112.70000
   68    76    77    55.00000  108.50000
   74    68    69    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    84    50.00000  109.50000
   79    61    62    35.00000  109.50000
   79    61    63    90.00000  108.56700
   79    74    75    35.00000  109.50000
   80    74    75    37.50000  110.70000
   80    74    79    50.00000  109.50000
   80    84    85    55.00000  108.50000
   82    80    81    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    82    35.00000  109.50000
   76    68    69    35.00000  109.50000
   76    68    74    50.00000  109.50000
   70    65    66    35.00000  109.50000
   70    65    68    50.00000  109.50000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   67    72    73    83.00000  123.40000
   67    72    78    81.00000  111.40000
   72    78    83    60.00000  119.52600
   72    78    98    60.00000  119.52600
   78    72    73    75.00000  123.78400
   78    83    86    63.00000  120.00000
   78    83    88    60.00000  122.76000
   78    98    92    63.00000  120.00000
   78    98   101    70.00000  120.00000
   83    86    87    35.00000  120.00000
   83    86    89    63.00000  120.00000
   83    88    90    60.00000  122.76000
   83    88   104    60.00000  122.76000
   86    89    92    63.00000  120.00000
   86    89    94    70.00000  120.00000
   89    86    87    35.00000  120.00000
   89    92    93    35.00000  120.00000
   89    92    98    63.00000  120.00000
   89    94    95    35.00000  113.00000
   92    98   101    70.00000  120.00000
   98    78    83    63.00000  120.00000
   98    92    93    35.00000  120.00000
   98   101   102    35.00000  113.00000
   94    89    92    70.00000  120.00000
   88    83    86    60.00000  122.76000
   88    90    91    35.00000  120.00000
   88    90    96    63.00000  120.00000
   88   104   103    63.00000  120.00000
   88   104   105    35.00000  120.00000
   90    96    97    35.00000  120.00000
   90    96    99    63.00000  120.00000
   96    90    91    35.00000  120.00000
   96    99   100    35.00000  120.00000
   96    99   103    63.00000  120.00000
   99    96    97    35.00000  120.00000
   99   103   104    63.00000  120.00000
   99   103   106    70.00000  120.00000
  103    99   100    35.00000  120.00000
  103   104   105    35.00000  120.00000
  103   106   107    35.00000  113.00000
  104    88    90    63.00000  120.00000
  106   103   104    70.00000  120.00000
   55    51    52    35.00000  109.50000
   55    51    53    70.00000  112.02700
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   58    55    56    35.00000  120.00000
   60    58    59    35.00000  117.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    39    53   0.14700  1.0 1.0
   29    33    39    53  -1.16150 -1.0 2.0
   29    33    39    53   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    49    46   0.46850  1.0 1.0
   33    38    49    46   0.08550 -1.0 2.0
   33    38    49    46   0.09800  1.0 3.0
   33    38    49    50   0.34800  1.0 3.0
   33    38    49    51   0.46850  1.0 1.0
   33    38    49    51   0.08550 -1.0 2.0
   33    38    49    51   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    49   0.34800  1.0 3.0
   34    33    39    53   0.37050  1.0 3.0
   38    33    39    53  -0.77900  1.0 1.0
   38    33    39    53  -0.36900 -1.0 2.0
   38    33    39    53   0.40400  1.0 3.0
   38    40    42    43  -2.26850  1.0 1.0
   38    40    42    43   3.39050 -1.0 2.0
   38    49    51    52   0.15000  1.0 3.0
   38    49   -51    53   0.34400  1.0 1.0
   38    49   -51    53   0.09450 -1.0 2.0
   38    49   -51    53   0.11100  1.0 3.0
   38    49    51    55   0.31000  1.0 1.0
   38    49    51    55   0.14700 -1.0 2.0
   38    49    51    55   0.07550  1.0 3.0
   40    38    49    46   0.09850  1.0 1.0
   40    38    49    46   0.15250 -1.0 2.0
   40    38    49    46  -0.50650  1.0 3.0
   40    38    49    50   0.00000  1.0 1.0
   40    38    49    51   0.09850  1.0 1.0
   40    38    49    51   0.15250 -1.0 2.0
   40    38    49    51  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.23400  1.0 3.0
   42    43    46    48   0.23400  1.0 3.0
   42    43    46    49   0.62750  1.0 1.0
   42    43    46    49  -0.30950 -1.0 2.0
   42    43    46    49   0.27300  1.0 3.0
   43    46   -49    38   0.34400  1.0 1.0
   43    46   -49    38   0.09450 -1.0 2.0
   43    46   -49    38   0.11100  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.56750  1.0 1.0
   43    46    49    51  -0.07550 -1.0 2.0
   43    46    49    51   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   3.97050  1.0 1.0
   46    49    51    55   0.34400  1.0 1.0
   46    49    51    55   0.09450 -1.0 2.0
   46    49    51    55   0.11100  1.0 3.0
   47    46    49    38   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   48    46    49    38   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   49    38    40    41   7.00000 -1.0 2.0
   49    38   -40    42   7.00000 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    39   0.62750  1.0 1.0
   49    51    53    39  -0.30950 -1.0 2.0
   49    51    53    39   0.27300  1.0 3.0
   49    51    53    57   0.62750  1.0 1.0
   49    51    53    57  -0.30950 -1.0 2.0
   49    51    53    57   0.27300  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   51    53   -39    33   0.06250  1.0 1.0
   51    53   -39    33  -0.01100 -1.0 2.0
   51    53   -39    33   0.28050  1.0 3.0
   51    53    57    61   0.06250  1.0 1.0
   51    53    57    61  -0.01100 -1.0 2.0
   51    53    57    61   0.28050  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55    58    60   7.00000 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    39   0.23400  1.0 3.0
   52    51    53    57   0.23400  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    58   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    58   0.09850  1.0 1.0
   53    51    55    58   0.15250 -1.0 2.0
   53    51    55    58  -0.50650  1.0 3.0
   53    57    61    62   0.37050  1.0 3.0
   53    57    61    63   0.06250  1.0 1.0
   53    57    61    63  -0.01100 -1.0 2.0
   53    57    61    63   0.28050  1.0 3.0
   53    57    61    79  -0.53350  1.0 1.0
   53    57    61    79  -0.78350 -1.0 2.0
   53    57    61    79   0.33750  1.0 3.0
   54    53    39    33   0.37050  1.0 3.0
   54    53    57    61   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    49   0.09700  1.0 1.0
   39    33   -38    49   0.15600 -1.0 2.0
   39    33   -38    49  -0.50800  1.0 3.0
   39    53    57    61  -0.53350  1.0 1.0
   39    53    57    61  -0.78350 -1.0 2.0
   39    53    57    61   0.33750  1.0 3.0
   57    53    39    33  -0.81800  1.0 1.0
   57    61    63    64   0.23400  1.0 3.0
   57    61    63    65   0.62750  1.0 1.0
   57    61    63    65  -0.30950 -1.0 2.0
   57    61    63    65   0.27300  1.0 3.0
   57    61    63    67   1.11900  1.0 1.0
   57    61    63    67  -1.16350 -1.0 2.0
   57    61    63    67  -0.34150  1.0 3.0
   57    61    79    74  -0.81800  1.0 1.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    68   3.97050  1.0 1.0
   61    63    65    70   0.86500  1.0 1.0
   61    63    65    70  -0.17500 -1.0 2.0
   61    63    65    70   0.20800  1.0 3.0
   61    63    67    72  -0.25900  1.0 1.0
   61    63    67    72  -0.47000 -1.0 2.0
   61    63    67    72   0.11750  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    79    74   0.37050  1.0 3.0
   63    61    79    74   0.06250  1.0 1.0
   63    61    79    74  -0.01100 -1.0 2.0
   63    61    79    74   0.28050  1.0 3.0
   63    65    68    69   0.15000  1.0 3.0
   63    65   -68    74   0.56750  1.0 1.0
   63    65   -68    74  -0.07550 -1.0 2.0
   63    65   -68    74   0.20000  1.0 3.0
   63    65    68    76   0.86500  1.0 1.0
   63    65    68    76  -0.17500 -1.0 2.0
   63    65    68    76   0.20800  1.0 3.0
   63    65    70    71  -0.11600  1.0 1.0
   63    65    70    71  -0.09450 -1.0 2.0
   63    65    70    71   0.21250  1.0 3.0
   63    67    72    73   3.00000 -1.0 2.0
   63    67    72    78   0.59950  1.0 1.0
   63    67    72    78   3.24850 -1.0 2.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    70   0.23400  1.0 3.0
   64    63    67    72   0.08050  1.0 3.0
   65    63    67    72  -0.25900  1.0 1.0
   65    63    67    72  -0.47000 -1.0 2.0
   65    63    67    72   0.11750  1.0 3.0
   65    68    74    75   0.15000  1.0 3.0
   65    68    74    79   0.62750  1.0 1.0
   65    68    74    79  -0.30950 -1.0 2.0
   65    68    74    79   0.27300  1.0 3.0
   65    68    74    80   0.56750  1.0 1.0
   65    68    74    80  -0.07550 -1.0 2.0
   65    68    74    80   0.20000  1.0 3.0
   65    68    76    77  -0.11600  1.0 1.0
   65    68    76    77  -0.09450 -1.0 2.0
   65    68    76    77   0.21250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    74   0.15000  1.0 3.0
   66    65    68    76   0.23400  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   68    65    70    71  -0.11600  1.0 1.0
   68    65    70    71  -0.09450 -1.0 2.0
   68    65    70    71   0.21250  1.0 3.0
   68    74   -79    61   0.06250  1.0 1.0
   68    74   -79    61  -0.01100 -1.0 2.0
   68    74   -79    61   0.28050  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    84   0.86500  1.0 1.0
   68    74    80    84  -0.17500 -1.0 2.0
   68    74    80    84   0.20800  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77  -0.11600  1.0 1.0
   74    68    76    77  -0.09450 -1.0 2.0
   74    68    76    77   0.21250  1.0 3.0
   74    80    84    85  -0.11600  1.0 1.0
   74    80    84    85  -0.09450 -1.0 2.0
   74    80    84    85   0.21250  1.0 3.0
   75    74    79    61   0.37050  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    84   0.23400  1.0 3.0
   79    61    63    64   0.23400  1.0 3.0
   79    61   -63    65   0.62750  1.0 1.0
   79    61   -63    65  -0.30950 -1.0 2.0
   79    61   -63    65   0.27300  1.0 3.0
   79    61    63    67   1.11900  1.0 1.0
   79    61    63    67  -1.16350 -1.0 2.0
   79    61    63    67  -0.34150  1.0 3.0
   79    74    80    81   0.23400  1.0 3.0
   79    74    80    82   0.23400  1.0 3.0
   79    74    80    84   3.69350  1.0 1.0
   79    74    80    84  -1.82950 -1.0 2.0
   80    74    79    61   0.06250  1.0 1.0
   80    74    79    61  -0.01100 -1.0 2.0
   80    74    79    61   0.28050  1.0 3.0
   81    80    84    85   0.19450  1.0 3.0
   82    80    84    85   0.19450  1.0 3.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    79   3.69350  1.0 1.0
   76    68    74    79  -1.82950 -1.0 2.0
   76    68    74    80   0.86500  1.0 1.0
   76    68    74    80  -0.17500 -1.0 2.0
   76    68    74    80   0.20800  1.0 3.0
   70    65    68    69   0.23400  1.0 3.0
   70    65    68    74   0.86500  1.0 1.0
   70    65    68    74  -0.17500 -1.0 2.0
   70    65    68    74   0.20800  1.0 3.0
   70    65    68    76   3.75450  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    68   0.62750  1.0 1.0
   67    63    65    68  -0.30950 -1.0 2.0
   67    63    65    68   0.27300  1.0 3.0
   67    63    65    70   3.69350  1.0 1.0
   67    63    65    70  -1.82950 -1.0 2.0
   67    72    78    83   0.98750 -1.0 2.0
   67    72    78    98   0.98750 -1.0 2.0
   72    78    83    86   3.62500 -1.0 2.0
   72    78    83    88   3.62500 -1.0 2.0
   72    78    98    92   3.62500 -1.0 2.0
   72    78    98   101   3.62500 -1.0 2.0
   73    72    78    83   1.05000 -1.0 2.0
   73    72    78    98   1.05000 -1.0 2.0
   78    83    86    87   3.62500 -1.0 2.0
   78    83    86    89   3.62500 -1.0 2.0
   78    83    88    90  -0.19450  1.0 1.0
   78    83    88    90   0.63300 -1.0 2.0
   78    83    88    90   0.07450  1.0 3.0
   78    83    88   104  -0.19450  1.0 1.0
   78    83    88   104   0.63300 -1.0 2.0
   78    83    88   104   0.07450  1.0 3.0
   78    98   101   102   0.84100 -1.0 2.0
   83    78    98    92   3.62500 -1.0 2.0
   83    78    98   101   3.62500 -1.0 2.0
   83    86   -89    92   3.62500 -1.0 2.0
   83    86    89    94   3.62500 -1.0 2.0
   83    88    90    91   3.62500 -1.0 2.0
   83    88    90    96   3.62500 -1.0 2.0
   83    88   104   103   3.62500 -1.0 2.0
   83    88   104   105   3.62500 -1.0 2.0
   86    83    88    90  -0.19450  1.0 1.0
   86    83    88    90   0.63300 -1.0 2.0
   86    83    88    90   0.07450  1.0 3.0
   86    83    88   104  -0.19450  1.0 1.0
   86    83    88   104   0.63300 -1.0 2.0
   86    83    88   104   0.07450  1.0 3.0
   86    89    92    93   3.62500 -1.0 2.0
   86    89    92    98   3.62500 -1.0 2.0
   86    89    94    95   0.84100 -1.0 2.0
   87    86    89    92   3.62500 -1.0 2.0
   87    86    89    94   3.62500 -1.0 2.0
   89    92   -98    78   3.62500 -1.0 2.0
   89    92    98   101   3.62500 -1.0 2.0
   92    89    94    95   0.84100 -1.0 2.0
   92    98   101   102   0.84100 -1.0 2.0
   93    92    98    78   3.62500 -1.0 2.0
   93    92    98   101   3.62500 -1.0 2.0
   98    78   -83    86   3.62500 -1.0 2.0
   98    78    83    88   3.62500 -1.0 2.0
   94    89    92    93   3.62500 -1.0 2.0
   94    89    92    98   3.62500 -1.0 2.0
   88    83    86    87   3.62500 -1.0 2.0
   88    83    86    89   3.62500 -1.0 2.0
   88    90    96    97   3.62500 -1.0 2.0
   88    90    96    99   3.62500 -1.0 2.0
   90    88   104   103   3.62500 -1.0 2.0
   90    88   104   105   3.62500 -1.0 2.0
   90    96    99   100   3.62500 -1.0 2.0
   90    96   -99   103   3.62500 -1.0 2.0
   91    90    96    97   3.62500 -1.0 2.0
   91    90    96    99   3.62500 -1.0 2.0
   96    99   103   104   3.62500 -1.0 2.0
   96    99   103   106   3.62500 -1.0 2.0
   97    96    99   100   3.62500 -1.0 2.0
   97    96    99   103   3.62500 -1.0 2.0
   99   103  -104    88   3.62500 -1.0 2.0
   99   103   104   105   3.62500 -1.0 2.0
   99   103   106   107   0.84100 -1.0 2.0
  100    99   103   104   3.62500 -1.0 2.0
  100    99   103   106   3.62500 -1.0 2.0
  104    88    90    91   3.62500 -1.0 2.0
  104    88   -90    96   3.62500 -1.0 2.0
  104   103   106   107   0.84100 -1.0 2.0
  106   103   104    88   3.62500 -1.0 2.0
  106   103   104   105   3.62500 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    39   0.61850  1.0 1.0
   55    51    53    39  -0.22750 -1.0 2.0
   55    51    53    39   0.15300  1.0 3.0
   55    51    53    57   0.61850  1.0 1.0
   55    51    53    57  -0.22750 -1.0 2.0
   55    51    53    57   0.15300  1.0 3.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -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
   33    49    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   67    78    72    73  10.50000 -1.0 2.0
   83    98    78    72   4.00000 -1.0 2.0
   86    88    83    78   4.00000 -1.0 2.0
   89    87    86    83   1.10000 -1.0 2.0
   92    94    89    86   4.00000 -1.0 2.0
   98    93    92    89   1.10000 -1.0 2.0
   92   101    98    78   4.00000 -1.0 2.0
   90   104    88    83   4.00000 -1.0 2.0
   96    91    90    88   1.10000 -1.0 2.0
   99    97    96    90   1.10000 -1.0 2.0
  103   100    99    96   1.10000 -1.0 2.0
  104   106   103    99   4.00000 -1.0 2.0
  103   105   104    88   1.10000 -1.0 2.0
   51    56    55    58  15.00000 -1.0 2.0
   59    60    58    55  15.00000 -1.0 2.0
END
