* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    213    320     634
    1     0 S   NP   _N1_     1    29.15446    98.37646   -21.38234
    2     1 S   H    _HN1     2     1.02951    62.71750    19.52444
    3     1 S   H    _H1_     3     1.02826    53.43492   162.13242
    4     1 S   H    _H2_     4     1.02783    94.48705   -88.85238
    5     1 S   CT   _CA1     5     1.50123   152.91440   100.95944
    6     5 S   HC   _HA1     6     1.09586   105.15312   107.94117
    7     5 S   CO3  _C1_     7     1.53763   112.44359   -12.07832
    8     7 S   O2Z  _O11     8     1.26359   114.97878   -43.63898
    9     7 S   O2Z  _O12     9     1.26251   114.91543   135.29667
   10     5 S   CT   _CB1    10     1.53080   107.37522  -134.30867
   11    10 S   HC   HB11    11     1.09827   109.19871   -51.60863
   12    10 S   HC   HB12    12     1.09809   110.54014    64.98785
   13    10 S   CT   _CG1    13     1.52915   112.55137  -172.68793
   14    13 S   HC   HG11    14     1.09498   110.33838   -68.94553
   15    13 S   HC   HG12    15     1.09671   109.86805    50.25040
   16    13 S   C    _CD1    16     1.51753   112.41837   170.87848
   17    16 S   O    _OE1    17     1.22723   123.30802     8.38169
   18    16 S   N    _N2_    18     1.38643   111.60415  -171.57326
   19    18 S   H    _HN2    19     1.01588   118.88467     1.20089
   20    18 S   CT1  _CA2    20     1.46275   123.50168   177.23423
   21    20 S   HC   _HA2    21     1.09724   109.40295     4.41224
   22    20 S   C    _C2_    22     1.53567   108.82425  -111.23820
   23    22 S   O    _O2_    23     1.23072   122.21429  -149.69359
   24    20 S   CT   _CB2    32     1.53227   111.19576   126.53601
   25    24 S   HC   HB21    33     1.09562   109.47488    56.22530
   26    24 S   HC   HB22    34     1.09496   110.92881   174.72954
   27    22 S   N    _N3_    24     1.38297   113.82079    37.77177
   28    27 S   H    _HN3    25     1.01571   119.57069    -3.40910
   29    24 S   S    _SG2    35     1.82840   111.22282   -65.93054
   30    27 S   CT   _CA3    26     1.45280   123.26001   177.19090
   31    30 S   HC   HA31    27     1.09548   107.51232   -64.68246
   32    30 S   HC   HA32    28     1.09556   107.99280    51.77015
   33    29 S   CT   _C10    36     1.84584    99.71143   138.95890
   34    33 S   HC   _H5_    37     1.08680   104.81653   -47.76793
   35    30 S   CO3  _C3_    29     1.52967   114.04917   173.75622
   36    35 S   O2Z  _O31    30     1.26383   116.06079    -0.79574
   37    35 S   O2Z  _O32    31     1.26428   114.41427   179.26299
   38    33 S   CM   _C9_    38     1.50804   107.11665  -163.13789
   39    38 S   HC   _H20    39     1.09072   114.65824   -85.19992
   40    33 S   CT   _C11    58     1.56435   114.47276    67.58578
   41    40 S   HC   _H6_    59     1.10071   104.45757   -67.33926
   42    38 S   CMA  _C8_    40     1.35763   128.34672    97.78829
   43    42 S   OM   _O39    41     1.26389   127.31986   173.93363
   44    40 S   CT   _C27    60     1.53467   114.31081    46.82125
   45    44 S   HC   _H41    61     1.09409   111.85241    59.90373
   46    44 S   HC   _H42    62     1.09408   111.79168   -61.01194
   47    44 S   HC   _H43    63     1.09516   110.65472  -178.61027
   48    42 S   CT   _C7_    42     1.55999   120.21162    -7.03085
   49    48 S   HC   _H4_    43     1.09702   107.18084   -26.68364
   50    48 S   CT   _C6_    44     1.55742   112.10449    92.23518
   51    50 S   HC   _H18    45     1.09318   108.72501    -1.07956
   52    50 S   HC   _H19    46     1.09777   110.37046   113.88309
   53    48 S   CT   _C28   109     1.54592   114.74557  -140.46777
   54    53 S   HC   _H44   110     1.09557   112.11320   -68.04769
   55    53 S   HC   _H45   111     1.09422   110.71588   172.43125
   56    53 S   HC   _H46   112     1.09579   110.89983    53.30251
   57    50 S   CT   _C5_    47     1.55389   113.30999  -123.20554
   58    57 S   HC   _H3_    48     1.09290   109.45765    43.93569
   59    57 S   CT   _C15    49     1.55669   113.60224   162.80680
   60    59 S   HC   _H9_    50     1.09917   107.52495  -179.46587
   61    57 S   CT   _C4_   105     1.53524   110.41958   -72.28205
   62    61 S   HC   _H15   106     1.09466   111.72828   -56.52907
   63    61 S   HC   _H16   107     1.09509   110.80430  -177.49103
   64    61 S   HC   _H17   108     1.09302   111.04616    64.03365
   65    59 S   CT   _C14    51     1.54742   114.03138   -59.13728
   66    65 S   HC   _H8_    52     1.09791   109.31610    72.61107
   67    59 S   OS   _O35    76     1.43613   108.00541    61.12350
   68    65 S   CO4  _C13    53     1.52369   113.17153   -48.44488
   69    68 S   O    _O34    54     1.22276   124.89853   -74.56802
   70    65 S   CT   _C24    72     1.53210   112.46718  -171.25911
   71    70 S   HC   _H34    73     1.09543   111.34690    54.83135
   72    70 S   HC   _H35    74     1.09396   111.16529   -66.14208
   73    70 S   HC   _H36    75     1.09599   110.84901   174.43891
   74    67 S   CO   _C16    77     1.43416   114.31438   125.76966
   75    74 S   HC   _H10    78     1.09675   108.79517    52.53038
   76    68 S   OS   _O33    55     1.36121   109.05658   107.27381
   77    74 S   CT   _C17    79     1.53769   107.01473   171.71686
   78    77 S   HC   _H11    80     1.09516   108.67366    52.52740
   79    76 S   CT   _C12    56     1.44751   119.76763   165.41611
   80    79 S   HC   _H7_    57     1.10000   108.64216   -31.17216
   81    77 S   CT   _C18    81     1.53516   110.41022   174.41742
   82    81 S   HC   _H12    82     1.09840   107.84471    69.12414
   83    77 S   OH   _O37   103     1.42876   110.55204   -64.65972
   84    83 S   HO   _H33   104     0.97261   108.43358   -49.50489
   85    79 S   CT   _C25    64     1.55020   106.76942  -145.58618
   86    85 S   HC   _H14    65     1.09266   110.70341   -75.15114
   87    81 S   CT   _C19    83     1.52735   111.40513   -51.03221
   88    87 S   HC   _H21    84     1.09523   111.02049   174.50724
   89    87 S   HC   _H22    85     1.09651   109.95685   -66.23244
   90    81 S   NP   _N4_    93     1.52726   110.17841  -176.90503
   91    90 S   H    _H26    94     1.03037   104.84426   -42.48955
   92    85 S   CT   _C26    66     1.52970   112.54578    45.82948
   93    92 S   HC   _H37    67     1.09559   110.78034    56.97387
   94    92 S   HC   _H38    68     1.09398   111.92780   -64.65946
   95    92 S   HC   _H39    69     1.09567   110.49716   174.95640
   96    85 S   OH   _O38    70     1.42598   110.10724   165.42863
   97    96 S   HO   _H40    71     0.97254   107.56421   175.21410
   98    87 S   CT   _C20    86     1.53060   109.22313    52.79348
   99    98 S   HC   _H13    87     1.09732   110.60850    62.48445
  100    90 S   CT   _C22    95     1.50627   116.36620    73.65013
  101   100 S   HC   _H27    96     1.09270   108.99258    70.99872
  102   100 S   HC   _H28    97     1.09370   107.66198  -169.41898
  103   100 S   HC   _H29    98     1.09096   109.08620   -50.78917
  104    90 S   CT   _C23    99     1.50757   112.65393  -156.60523
  105   104 S   HC   _H30   100     1.09252   108.82366   -67.26175
  106   104 S   HC   _H31   101     1.09302   108.26539    53.73463
  107   104 S   HC   _H32   102     1.09339   107.98946   172.37921
  108    74 S   OS   _O36    88     1.42903   111.14337   -68.26065
  109    98 S   CT   _C21    89     1.52235   111.13910  -176.65333
  110   109 S   HC   _H23    90     1.09568   111.06521    61.10335
  111   109 S   HC   _H24    91     1.09413   111.33806   -60.28227
  112   109 S   HC   _H25    92     1.09546   110.30846   179.06267
  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   9   5   4   3
  16   7   2   1   1  11   4  14   8  11   4   7   3   2   1  12
   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1   1
  11   8  10   9   3   4   2   1   1  13   6   6  14   7   9   4
  20   9   4   1   7   6  13   6   5  10   8   5   3   2   1   1
   1   6   5   7   3   2   1   3   2   1   1   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    42    79    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    76    79    80    40    41    44    45    46    47    85  
   38    39    42    79    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50    79    40    41    44    53  
   42    43    48    40  
   41    44    45    46    47    85    86    92    96    42    68    76    79    80  
   44    45    46    47    85    76    79    80  
   43    48    49    50    51    52    57    53    54    55    56  
   48    49    50    53  
   45    46    47    85    76    79    80  
   46    47    79  
   47    79  
   79  
   49    50    51    52    57    58    59    61    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    65    67    61    62    63    64    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    65    66    68    70    67    74    61    62    63    64  
   59    60    65    67    61    62    63    64  
   60    65    66    68    69    76    70    71    72    73    67    74    75    77   108    61    62    63    64  
   65    66    68    70    67    74    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    68    69    76    79    70    71    72    73    67    74  
   68    69    76    70    71    72    73    67  
   74    75    77    78    81    98   108    83    68    70  
   69    76    79    80    85    70    71    72    73  
   76    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    77    78    81    82    87    98    99   108   109    90    83    84  
   77    78    81    98   108    83  
   79    80    85    86    92    96  
   78    81    82    87    88    89    98   108    90    91   100   104    83    84  
   81    82    87   108    90    83    84  
   80    85    86    92    93    94    95    96    97  
   85    86    92    96  
   82    87    88    89    98    99   108   109    90    91   100   101   102   103   104   105   106   107    83    84  
   87    88    89    98    90    91   100   104    83  
   84    87    90   108  
    0  
   86    92    93    94    95    96    97  
   92    93    94    95    96    97  
   88    89    98    99   108   109   110   111   112    90    91   100   104  
   89    98    99   108   109    90  
   98    99   108   109    90  
   91   100   101   102   103   104   105   106   107    98  
  100   101   102   103   104   105   106   107  
   93    94    95    96    97  
   94    95    96  
   95    96  
   96  
   97  
    0  
   99   108   109   110   111   112  
  108   109   110   111   112  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   91   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  100   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    68   317.000  1.522
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    76   214.000  1.327
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    40   268.000  1.529
   79    85   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   85    86   340.000  1.090
   85    92   268.000  1.529
   85    96   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   67    74   320.000  1.380
   74    75   340.000  1.090
   74    77   250.000  1.527
   74   108   320.000  1.380
   77    78   340.000  1.090
   77    81   268.000  1.529
   77    83   320.000  1.410
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    98   268.000  1.529
   98    99   340.000  1.090
   98   108   320.000  1.410
   98   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   90    91   434.000  1.010
   90   100   367.000  1.471
   90   104   367.000  1.471
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   83    84   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    53    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    59    67    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    68    63.00000  111.10000
   59    65    70    58.35000  112.70000
   59    67    74    60.00000  109.50000
   65    59    60    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    76    81.00000  111.40000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    65    66    35.00000  109.50000
   68    76    79    83.00000  116.90000
   76    68    69    83.00000  123.40000
   76    79    80    35.00000  109.50000
   76    79    40    50.00000  109.50000
   76    79    85    50.00000  109.50000
   79    40    41    37.50000  110.70000
   79    40    44    58.35000  112.70000
   79    85    86    37.50000  110.70000
   79    85    92    58.35000  112.70000
   79    85    96    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    79    80    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    40    58.35000  112.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92    95    37.50000  110.70000
   85    96    97    55.00000  108.50000
   92    85    86    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    85    86    35.00000  109.50000
   96    85    92    50.00000  109.50000
   70    65    66    37.50000  110.70000
   70    65    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    77    90.00000  108.56700
   67    74   108    92.60000  111.55000
   74    77    78    45.00000  108.72000
   74    77    81    75.00000  109.43000
   74    77    83    90.00000  111.58700
   74   108    98    60.00000  109.50000
   77    74    75    45.00000  112.01100
   77    81    82    37.50000  110.70000
   77    81    87    58.35000  112.70000
   77    81    90    80.00000  111.20000
   77    83    84    55.00000  108.50000
   81    77    78    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    98    58.35000  112.70000
   81    90    91    35.00000  109.50000
   81    90   100    75.00000  113.01200
   81    90   104    75.00000  113.01200
   87    81    82    37.50000  110.70000
   87    98    99    37.50000  110.70000
   87    98   108    50.00000  109.50000
   87    98   109    58.35000  112.70000
   89    87    88    33.00000  107.80000
   98    87    88    37.50000  110.70000
   98    87    89    37.50000  110.70000
   98   109   110    37.50000  110.70000
   98   109   111    37.50000  110.70000
   98   109   112    37.50000  110.70000
  108    74    75    35.00000  109.50000
  108    74    77    90.00000  108.56700
  108    98    99    35.00000  109.50000
  109    98    99    37.50000  110.70000
  109    98   108    50.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   90    81    82    35.00000  109.50000
   90    81    87    80.00000  111.20000
   90   100   101    35.00000  109.50000
   90   100   102    35.00000  109.50000
   90   100   103    35.00000  109.50000
   90   104   105    35.00000  109.50000
   90   104   106    35.00000  109.50000
   90   104   107    35.00000  109.50000
  100    90    91    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    90    91    35.00000  109.50000
  104    90   100    75.00000  113.01200
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    81    50.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    79   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    79   0.34400  1.0 1.0
   38    33    40    79   0.09450 -1.0 2.0
   38    33    40    79   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.15000  1.0 3.0
   42    48    50    57   0.34400  1.0 1.0
   42    48    50    57   0.09450 -1.0 2.0
   42    48    50    57   0.11100  1.0 3.0
   42    48    53    54   0.15000  1.0 3.0
   42    48    53    55   0.15000  1.0 3.0
   42    48    53    56   0.15000  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.09700  1.0 1.0
   43    42    48    50   0.15600 -1.0 2.0
   43    42    48    50  -0.50800  1.0 3.0
   43    42    48    53   0.09700  1.0 1.0
   43    42    48    53   0.15600 -1.0 2.0
   43    42    48    53  -0.50800  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.56750  1.0 1.0
   48    50    57    59  -0.07550 -1.0 2.0
   48    50    57    59   0.20000  1.0 3.0
   48    50    57    61   0.56750  1.0 1.0
   48    50    57    61  -0.07550 -1.0 2.0
   48    50    57    61   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    57   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    65   0.56750  1.0 1.0
   50    57    59    65  -0.07550 -1.0 2.0
   50    57    59    65   0.20000  1.0 3.0
   50    57    59    67   0.62750  1.0 1.0
   50    57    59    67  -0.30950 -1.0 2.0
   50    57    59    67   0.27300  1.0 3.0
   50    57    61    62   0.15000  1.0 3.0
   50    57    61    63   0.15000  1.0 3.0
   50    57    61    64   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    61   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    61   0.15000  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    68  -0.95700  1.0 1.0
   57    59    65    68  -0.18200 -1.0 2.0
   57    59    65    68   0.29450  1.0 3.0
   57    59    65    70   0.56750  1.0 1.0
   57    59    65    70  -0.07550 -1.0 2.0
   57    59    65    70   0.20000  1.0 3.0
   57    59    67    74   0.06250  1.0 1.0
   57    59    67    74  -0.01100 -1.0 2.0
   57    59    67    74   0.28050  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    65   0.15000  1.0 3.0
   58    57    59    67   0.23400  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
   59    65    68    69   0.30150 -1.0 2.0
   59    65    68    76   0.36750  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.15000  1.0 3.0
   59    67    74    75   0.37050  1.0 3.0
   59    67    74    77   0.06250  1.0 1.0
   59    67    74    77  -0.01100 -1.0 2.0
   59    67    74    77   0.28050  1.0 3.0
   59    67    74   108  -0.53350  1.0 1.0
   59    67    74   108  -0.78350 -1.0 2.0
   59    67    74   108   0.33750  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    68  -0.11250  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   60    59    67    74   0.37050  1.0 3.0
   65    59    67    74   0.06250  1.0 1.0
   65    59    67    74  -0.01100 -1.0 2.0
   65    59    67    74   0.28050  1.0 3.0
   65    68    76    79   1.63150  1.0 1.0
   65    68    76    79   2.92000 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    76   0.00000  1.0 1.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   68    65    70    71  -0.11250  1.0 3.0
   68    65    70    72  -0.11250  1.0 3.0
   68    65    70    73  -0.11250  1.0 3.0
   68    76    79    80   0.08050  1.0 3.0
   68    76    79    40  -0.25900  1.0 1.0
   68    76    79    40  -0.47000 -1.0 2.0
   68    76    79    40   0.11750  1.0 3.0
   68    76    79    85  -0.25900  1.0 1.0
   68    76    79    85  -0.47000 -1.0 2.0
   68    76    79    85   0.11750  1.0 3.0
   69    68    76    79   3.00000 -1.0 2.0
   76    79    40    33   0.62750  1.0 1.0
   76    79    40    33  -0.30950 -1.0 2.0
   76    79    40    33   0.27300  1.0 3.0
   76    79    40    41   0.23400  1.0 3.0
   76    79    40    44   0.62750  1.0 1.0
   76    79    40    44  -0.30950 -1.0 2.0
   76    79    40    44   0.27300  1.0 3.0
   76    79    85    86   0.23400  1.0 3.0
   76    79    85    92   0.62750  1.0 1.0
   76    79    85    92  -0.30950 -1.0 2.0
   76    79    85    92   0.27300  1.0 3.0
   76    79    85    96   3.69350  1.0 1.0
   76    79    85    96  -1.82950 -1.0 2.0
   79    40    44    45   0.15000  1.0 3.0
   79    40    44    46   0.15000  1.0 3.0
   79    40    44    47   0.15000  1.0 3.0
   79    85    92    93   0.15000  1.0 3.0
   79    85    92    94   0.15000  1.0 3.0
   79    85    92    95   0.15000  1.0 3.0
   79    85    96    97  -0.11600  1.0 1.0
   79    85    96    97  -0.09450 -1.0 2.0
   79    85    96    97   0.21250  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    44   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    92   0.15000  1.0 3.0
   80    79    85    96   0.23400  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    79    85    86   0.15000  1.0 3.0
   40    79    85    92   0.56750  1.0 1.0
   40    79    85    92  -0.07550 -1.0 2.0
   40    79    85    92   0.20000  1.0 3.0
   40    79    85    96   0.86500  1.0 1.0
   40    79    85    96  -0.17500 -1.0 2.0
   40    79    85    96   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   85    79    40    33   0.56750  1.0 1.0
   85    79    40    33  -0.07550 -1.0 2.0
   85    79    40    33   0.20000  1.0 3.0
   85    79    40    41   0.15000  1.0 3.0
   85    79    40    44   0.56750  1.0 1.0
   85    79    40    44  -0.07550 -1.0 2.0
   85    79    40    44   0.20000  1.0 3.0
   86    85    92    93   0.15000  1.0 3.0
   86    85    92    94   0.15000  1.0 3.0
   86    85    92    95   0.15000  1.0 3.0
   86    85    96    97   0.19450  1.0 3.0
   92    85    96    97  -0.11600  1.0 1.0
   92    85    96    97  -0.09450 -1.0 2.0
   92    85    96    97   0.21250  1.0 3.0
   96    85    92    93   0.23400  1.0 3.0
   96    85    92    94   0.23400  1.0 3.0
   96    85    92    95   0.23400  1.0 3.0
   70    65    68    69   0.30150 -1.0 2.0
   70    65    68    76   0.36750  1.0 3.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    68  -0.09450  1.0 1.0
   67    59    65    68  -1.12950 -1.0 2.0
   67    59    65    68   0.54000  1.0 3.0
   67    59    65    70   0.62750  1.0 1.0
   67    59    65    70  -0.30950 -1.0 2.0
   67    59    65    70   0.27300  1.0 3.0
   67    74    77    78   0.23400  1.0 3.0
   67    74    77    81   0.62750  1.0 1.0
   67    74    77    81  -0.30950 -1.0 2.0
   67    74    77    81   0.27300  1.0 3.0
   67    74    77    83   3.69350  1.0 1.0
   67    74    77    83  -1.82950 -1.0 2.0
   67    74   108    98  -0.81800  1.0 1.0
   74    77    81    82   0.15000  1.0 3.0
   74    77    81    87   3.97050  1.0 1.0
   74    77    81    90   1.36600  1.0 1.0
   74    77    81    90  -0.11450 -1.0 2.0
   74    77    81    90   0.24250  1.0 3.0
   74    77    83    84  -0.11600  1.0 1.0
   74    77    83    84  -0.09450 -1.0 2.0
   74    77    83    84   0.21250  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    81   0.15000  1.0 3.0
   75    74    77    83   0.23400  1.0 3.0
   75    74   108    98   0.37050  1.0 3.0
   77    74   108    98   0.06250  1.0 1.0
   77    74   108    98  -0.01100 -1.0 2.0
   77    74   108    98   0.28050  1.0 3.0
   77    81    87    88   0.15000  1.0 3.0
   77    81    87    89   0.15000  1.0 3.0
   77    81   -87    98   0.56750  1.0 1.0
   77    81   -87    98  -0.07550 -1.0 2.0
   77    81   -87    98   0.20000  1.0 3.0
   77    81    90    91   0.17350  1.0 3.0
   77    81    90   100   0.47100  1.0 1.0
   77    81    90   104   0.47100  1.0 1.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    87   0.15000  1.0 3.0
   78    77    81    90   0.19200  1.0 3.0
   78    77    83    84   0.19450  1.0 3.0
   81    77    83    84  -0.11600  1.0 1.0
   81    77    83    84  -0.09450 -1.0 2.0
   81    77    83    84   0.21250  1.0 3.0
   81    87    98    99   0.15000  1.0 3.0
   81    87    98   108   0.62750  1.0 1.0
   81    87    98   108  -0.30950 -1.0 2.0
   81    87    98   108   0.27300  1.0 3.0
   81    87    98   109   0.56750  1.0 1.0
   81    87    98   109  -0.07550 -1.0 2.0
   81    87    98   109   0.20000  1.0 3.0
   81    90   100   101   0.15000  1.0 3.0
   81    90   100   102   0.15000  1.0 3.0
   81    90   100   103   0.15000  1.0 3.0
   81    90   104   105   0.15000  1.0 3.0
   81    90   104   106   0.15000  1.0 3.0
   81    90   104   107   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    98   0.15000  1.0 3.0
   82    81    90    91   0.13050  1.0 3.0
   82    81    90   100   0.15000  1.0 3.0
   82    81    90   104   0.15000  1.0 3.0
   87    81    90    91   0.17350  1.0 3.0
   87    81    90   100   0.47100  1.0 1.0
   87    81    90   104   0.47100  1.0 1.0
   87    98  -108    74   0.06250  1.0 1.0
   87    98  -108    74  -0.01100 -1.0 2.0
   87    98  -108    74   0.28050  1.0 3.0
   87    98   109   110   0.15000  1.0 3.0
   87    98   109   111   0.15000  1.0 3.0
   87    98   109   112   0.15000  1.0 3.0
   88    87    98    99   0.15000  1.0 3.0
   88    87    98   108   0.23400  1.0 3.0
   88    87    98   109   0.15000  1.0 3.0
   89    87    98    99   0.15000  1.0 3.0
   89    87    98   108   0.23400  1.0 3.0
   89    87    98   109   0.15000  1.0 3.0
   99    98   108    74   0.37050  1.0 3.0
   99    98   109   110   0.15000  1.0 3.0
   99    98   109   111   0.15000  1.0 3.0
   99    98   109   112   0.15000  1.0 3.0
  108    74    77    78   0.23400  1.0 3.0
  108    74   -77    81   0.62750  1.0 1.0
  108    74   -77    81  -0.30950 -1.0 2.0
  108    74   -77    81   0.27300  1.0 3.0
  108    74    77    83   3.69350  1.0 1.0
  108    74    77    83  -1.82950 -1.0 2.0
  108    98   109   110   0.23400  1.0 3.0
  108    98   109   111   0.23400  1.0 3.0
  108    98   109   112   0.23400  1.0 3.0
  109    98   108    74   0.06250  1.0 1.0
  109    98   108    74  -0.01100 -1.0 2.0
  109    98   108    74   0.28050  1.0 3.0
   90    81    87    88   0.19200  1.0 3.0
   90    81    87    89   0.19200  1.0 3.0
   90    81    87    98   1.36600  1.0 1.0
   90    81    87    98  -0.11450 -1.0 2.0
   90    81    87    98   0.24250  1.0 3.0
   91    90   100   101   0.13050  1.0 3.0
   91    90   100   102   0.13050  1.0 3.0
   91    90   100   103   0.13050  1.0 3.0
   91    90   104   105   0.13050  1.0 3.0
   91    90   104   106   0.13050  1.0 3.0
   91    90   104   107   0.13050  1.0 3.0
  100    90   104   105   0.15000  1.0 3.0
  100    90   104   106   0.15000  1.0 3.0
  100    90   104   107   0.15000  1.0 3.0
  104    90   100   101   0.15000  1.0 3.0
  104    90   100   102   0.15000  1.0 3.0
  104    90   100   103   0.15000  1.0 3.0
   83    77    81    82   0.23400  1.0 3.0
   83    77    81    87   0.86500  1.0 1.0
   83    77    81    87  -0.17500 -1.0 2.0
   83    77    81    87   0.20800  1.0 3.0
   83    77    81    90   1.69300  1.0 1.0
   83    77    81    90  -0.48450 -1.0 2.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
   61    57    59    67   0.62750  1.0 1.0
   61    57    59    67  -0.30950 -1.0 2.0
   61    57    59    67   0.27300  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   0.20000  1.0 3.0
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    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   65    76    68    69  10.50000 -1.0 2.0
END
