* LIGAND DATABASE FILE (OPLS2005)
*
001     113   113    205    303     601
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    90.22700    40.13370
    3     1 S   H    _H1_     3     1.02105    32.90305   165.88939
    4     1 S   H    _H2_     4     1.02133    90.33075   -68.61850
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C30    36     1.82086    98.19548  -158.17794
   34    33 S   HC   _H9_    37     1.09618   107.47645    61.93137
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C31    38     1.50013   110.46860   179.95154
   39    38 S   HC   _H45    39     1.08787   118.40202   -45.98164
   40    38 S   CM   _C32    40     1.34611   122.62602   134.20996
   41    40 S   OS   _O34    41     1.38380   123.10272     2.10301
   42    40 S   OH   _O35   112     1.38402   120.61901  -178.04225
   43    42 S   HO   _H46   113     0.96245   109.86499     0.00000
   44    41 S   CT   _C28    42     1.43515   115.22698    16.60282
   45    44 S   HC   _H8_    43     1.09820   108.28399    73.27440
   46    33 S   CT   _C29    44     1.53095   109.79821   -57.29330
   47    46 S   HC   _H43    45     1.09944   110.33034   -44.48032
   48    46 S   HC   _H44    46     1.09677   110.16631    74.08108
   49    44 S   CM   _C27    47     1.49331   107.46777  -170.36304
   50    49 S   HC   _H42    48     1.08711   116.24599  -146.26036
   51    49 S   CM   _C26    49     1.34219   123.50365    33.40161
   52    51 S   HC   _H41    50     1.08695   119.25971    -1.13315
   53    51 S   CM   _C23    51     1.45811   124.98105  -179.14958
   54    53 S   CM   _C22    52     1.34985   121.22767  -179.94065
   55    54 S   HC   _H35    53     1.08983   118.47604  -179.73020
   56    53 S   CT   _C24   105     1.51283   114.27842     3.53020
   57    56 S   HC   _H36   106     1.09845   110.30422   -61.74604
   58    56 S   HC   _H37   107     1.09507   111.21615    53.98737
   59    54 S   CT   _C20    54     1.51526   127.17698    -0.05234
   60    59 S   HC   _H7_    55     1.09651   110.85712    30.06194
   61    56 S   CT   _C25   108     1.52227   111.97282   176.36848
   62    61 S   HC   _H38   109     1.09568   111.24930   -57.53690
   63    61 S   HC   _H39   110     1.09507   110.16445  -177.17271
   64    61 S   HC   _H40   111     1.09538   111.42373    63.22726
   65    59 S   CT   _C21    56     1.53186   109.17129   -87.07971
   66    65 S   HC   _H32    57     1.09611   111.59444   -60.19224
   67    65 S   HC   _H33    58     1.09618   110.99186    60.20250
   68    65 S   HC   _H34    59     1.09534   110.69527   179.66839
   69    59 S   CT   _C19    60     1.54129   111.44202   151.13835
   70    69 S   HC   _H30    61     1.09773   109.44990   178.06457
   71    69 S   HC   _H31    62     1.09831   110.02960    61.57670
   72    69 S   CM   _C18    63     1.50671   112.33247   -62.36604
   73    72 S   HC   _H29    64     1.08609   115.74300   -59.67029
   74    72 S   CM   _C17    65     1.34300   123.22942   119.48100
   75    74 S   HC   _H28    66     1.08629   116.51037    -1.54560
   76    74 S   CM   _C15    67     1.45909   126.61915   179.97202
   77    76 S   CM   _C14    68     1.35037   123.40042   -40.03036
   78    77 S   HC   _H24    69     1.09188   117.22257     0.15323
   79    76 S   CT   _C16   101     1.50926   117.69729   141.13961
   80    79 S   HC   _H25   102     1.09572   110.71746    90.05777
   81    79 S   HC   _H26   103     1.09602   112.39298   -29.45738
   82    79 S   HC   _H27   104     1.09672   110.73838  -148.99169
   83    77 S   CT   _C12    70     1.50805   128.93923   179.95577
   84    83 S   HC   _H6_    71     1.09251   112.80906     0.03426
   85    83 S   CO4  _C11    72     1.52856   107.07577  -119.20014
   86    85 S   O    _O33    73     1.23329   121.76634   -87.25138
   87    83 S   CT   _C13    97     1.52744   111.03534   119.58201
   88    87 S   HC   _H21    98     1.09652   112.04606    56.74413
   89    87 S   HC   _H22    99     1.09587   110.57042   176.40239
   90    87 S   HC   _H23   100     1.09579   110.85747   -63.83208
   91    85 S   CT   _C9_    74     1.53519   117.05076    92.08367
   92    91 S   HC   _H5_    75     1.09542   107.06709   -30.06771
   93    91 S   CT   _C10    76     1.52529   108.02485    85.97007
   94    93 S   HC   _H18    77     1.09622   111.41245    64.53415
   95    93 S   HC   _H19    78     1.09595   110.98718  -175.83275
   96    93 S   HC   _H20    79     1.09172   111.36699   -56.83852
   97    91 S   CT   _C8_    80     1.54438   108.87076  -148.51433
   98    97 S   HC   _H4_    81     1.09641   109.26876   -60.02813
   99    97 S   CT   _C6_    82     1.55329   118.06103    64.87673
  100    99 S   HC   _H3_    83     1.09969   106.15866   -40.71491
  101    97 S   OH   _O36    95     1.43937   107.98586  -173.78505
  102   101 S   HO   _H47    96     0.96649   105.72266  -179.93147
  103    99 S   CT   _C7_    84     1.53204   112.33815    74.83033
  104   103 S   HC   _H15    85     1.09531   111.08462    64.43445
  105   103 S   HC   _H16    86     1.09175   112.59491  -173.87948
  106   103 S   HC   _H17    87     1.09509   110.59480   -54.01225
  107    99 S   CT   _C5_    88     1.54393   112.94787  -157.02959
  108   107 S   HC   _H13    89     1.09391   110.39298   -61.82913
  109   107 S   HC   _H14    90     1.09645   109.69919    55.49059
  110   107 S   CT   _C4_    91     1.52296   113.57597   176.10982
  111   110 S   HC   _H10    92     1.09506   111.00065   -56.91992
  112   110 S   HC   _H11    93     1.09464   109.96830  -176.34966
  113   110 S   HC   _H12    94     1.09347   111.64966    64.33180
  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
  12   7   2   1   1   9   4   7  10   2   1   9   6   5   2   1
   6   3   9   3  13  15   5   7   5   4  11   8   3   2   1   1
   7   3   2   1   7   4   3   6   3   9   3  10  14   5   4   2
   1   1  11   7  15   5   4   2   1   1  13   8   7   3   2   1
  13   6  14   9   3   1   7   3   2   1   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    46    47    48    49    42  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    42    43  
   40    41    46    42  
   41    44    45    46    49    42    43  
   44    45    46    47    48    49    50    51    42    43  
   43    44  
    0  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51  
   47    48    49    50    51  
   48    49  
   49  
   50    51    52    53    54    56  
   51    52    53  
   52    53    54    55    59    56    57    58    61  
   53    54    56  
   54    55    59    60    65    69    56    57    58    61    62    63    64  
   55    59    60    65    66    67    68    69    70    71    72    56    57    58    61  
   59    60    65    69    56  
   57    58    61    62    63    64    59  
   58    61    62    63    64  
   61    62    63    64  
   60    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    70    71    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    79  
   74    75    76  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    87    79    80    81    82  
   78    83    84    85    86    91    87    88    89    90    79    80    81    82  
   83    84    85    87    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    91    92    93    97    87    88    89    90  
   85    86    91    87    88    89    90  
   86    91    92    93    94    95    96    97    98    99   101    87    88    89    90  
   91    92    93    97    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92    93    94    95    96    97    98    99   100   103   107   101   102  
   93    94    95    96    97    98    99   101  
   94    95    96    97    98    99   101  
   95    96    97  
   96    97  
   97  
   98    99   100   103   104   105   106   107   108   109   110   101   102  
   99   100   103   107   101   102  
  100   103   104   105   106   107   108   109   110   111   112   113   101   102  
  103   104   105   106   107   108   109   110   101  
  102   103   107  
    0  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110   111   112   113  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   340.000  1.080
   51    53   380.000  1.444
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   317.000  1.522
   83    87   268.000  1.529
   85    86   570.000  1.229
   85    91   317.000  1.522
   91    92   340.000  1.090
   91    93   268.000  1.529
   91    97   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   268.000  1.529
   97   101   320.000  1.410
   99   100   340.000  1.090
   99   103   268.000  1.529
   99   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  101   102   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    48    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    49    85.00000  110.90400
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    49    50    35.00000  117.00000
   44    49    51    70.00000  124.00000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    70.00000  112.02700
   49    51    52    35.00000  120.00000
   49    51    53    70.00000  123.01800
   51    49    50    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    70.00000  112.02700
   54    59    60    35.00000  109.50000
   54    59    65    70.00000  112.02700
   54    59    69    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    70.00000  112.02700
   65    59    60    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    59    60    37.50000  110.70000
   69    59    65    58.35000  112.70000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  123.01800
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  123.01800
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    70.00000  109.06800
   77    83    87    70.00000  112.02700
   83    77    78    35.00000  117.00000
   83    85    86    80.00000  120.40000
   83    85    91    70.00000  116.00000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    35.00000  109.50000
   85    91    92    35.00000  109.50000
   85    91    93    63.00000  111.10000
   85    91    97    63.00000  111.10000
   91    85    86    80.00000  120.40000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    96    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    58.35000  112.70000
   91    97   101    50.00000  109.50000
   93    91    92    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    58.35000  112.70000
   97    99   100    37.50000  110.70000
   97    99   103    58.35000  112.70000
   97    99   107    58.35000  112.70000
   97   101   102    55.00000  108.50000
   99    97    98    37.50000  110.70000
   99   103   104    37.50000  110.70000
   99   103   105    37.50000  110.70000
   99   103   106    37.50000  110.70000
   99   107   108    37.50000  110.70000
   99   107   109    37.50000  110.70000
   99   107   110    58.35000  112.70000
  103    99   100    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107    99   100    37.50000  110.70000
  107    99   103    58.35000  112.70000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  101    97    98    35.00000  109.50000
  101    97    99    50.00000  109.50000
   87    83    84    37.50000  110.70000
   87    83    85    63.00000  111.10000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    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    46    44   0.44750  1.0 1.0
   29    33    46    44  -0.17800 -1.0 2.0
   29    33    46    44   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.34400  1.0 1.0
   38    33    46    44   0.09450 -1.0 2.0
   38    33    46    44   0.11100  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.15000  1.0 3.0
   38    40   -41    44  -2.26850  1.0 1.0
   38    40   -41    44   3.39050 -1.0 2.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41    44    49  -0.48150  1.0 1.0
   40    41    44    49   0.09250 -1.0 2.0
   40    41    44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    33   0.62750  1.0 1.0
   41    44   -46    33  -0.30950 -1.0 2.0
   41    44   -46    33   0.27300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    49    50   0.00000  1.0 1.0
   41    44    49    51   0.39000  1.0 1.0
   41    44    49    51  -0.05800 -1.0 2.0
   41    44    49    51  -0.55150  1.0 3.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    53   7.00000 -1.0 2.0
   45    44    46    33   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    51   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    44    49    50   0.00000  1.0 1.0
   46    44    49    51   0.09850  1.0 1.0
   46    44    49    51   0.15250 -1.0 2.0
   46    44    49    51  -0.50650  1.0 3.0
   49    44    46    33   0.34400  1.0 1.0
   49    44    46    33   0.09450 -1.0 2.0
   49    44    46    33   0.11100  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    51    53    54   0.28850  1.0 1.0
   49    51    53    54   2.61350 -1.0 2.0
   49    51    53    54   0.78400  1.0 3.0
   49    51    53    56  -0.18600  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    53   7.00000 -1.0 2.0
   51    53    54    55   7.00000 -1.0 2.0
   51    53    54    59   7.00000 -1.0 2.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    61   0.98200  1.0 1.0
   51    53    56    61  -0.11900 -1.0 2.0
   51    53    56    61   0.24250  1.0 3.0
   52    51    53    54  -0.18600  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    65   0.09850  1.0 1.0
   53    54    59    65   0.15250 -1.0 2.0
   53    54    59    65  -0.50650  1.0 3.0
   53    54    59    69   0.09850  1.0 1.0
   53    54    59    69   0.15250 -1.0 2.0
   53    54    59    69  -0.50650  1.0 3.0
   53    56    61    62   0.15000  1.0 3.0
   53    56    61    63   0.15000  1.0 3.0
   53    56    61    64   0.15000  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61   0.09850  1.0 1.0
   54    53    56    61   0.15250 -1.0 2.0
   54    53    56    61  -0.50650  1.0 3.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    68   0.15000  1.0 3.0
   54    59    69    70   0.15000  1.0 3.0
   54    59    69    71   0.15000  1.0 3.0
   54    59    69    72   0.31000  1.0 1.0
   54    59    69    72   0.14700 -1.0 2.0
   54    59    69    72   0.07550  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    65   0.00000  1.0 1.0
   55    54    59    69   0.00000  1.0 1.0
   59    69    72    73   0.00000  1.0 1.0
   59    69    72    74   0.09850  1.0 1.0
   59    69    72    74   0.15250 -1.0 2.0
   59    69    72    74  -0.50650  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   60    59    69    72   0.15000  1.0 3.0
   65    59    69    70   0.15000  1.0 3.0
   65    59    69    71   0.15000  1.0 3.0
   65    59    69    72   0.34400  1.0 1.0
   65    59    69    72   0.09450 -1.0 2.0
   65    59    69    72   0.11100  1.0 3.0
   69    59    65    66   0.15000  1.0 3.0
   69    59    65    67   0.15000  1.0 3.0
   69    59    65    68   0.15000  1.0 3.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    76   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    76    77   0.28850  1.0 1.0
   72    74    76    77   2.61350 -1.0 2.0
   72    74    76    77   0.78400  1.0 3.0
   72    74    76    79  -0.18600  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77  -0.18600  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   76    77    83    84   0.00000  1.0 1.0
   76    77    83    85  -0.51250  1.0 1.0
   76    77    83    85  -0.88800 -1.0 2.0
   76    77    83    85   0.08850  1.0 3.0
   76    77    83    87   0.09850  1.0 1.0
   76    77    83    87   0.15250 -1.0 2.0
   76    77    83    87  -0.50650  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   77    83    85    86   0.30150 -1.0 2.0
   77    83    85    91   0.65300  1.0 1.0
   77    83    85    91  -0.03850 -1.0 2.0
   77    83    85    91   0.33900  1.0 3.0
   77    83    87    88   0.15000  1.0 3.0
   77    83    87    89   0.15000  1.0 3.0
   77    83    87    90   0.15000  1.0 3.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.00000  1.0 1.0
   78    77    83    87   0.00000  1.0 1.0
   83    85    91    92   0.00000  1.0 1.0
   83    85    91    93   0.60050  1.0 1.0
   83    85    91    93   0.05600 -1.0 2.0
   83    85    91    93   0.26150  1.0 3.0
   83    85    91    97   0.60050  1.0 1.0
   83    85    91    97   0.05600 -1.0 2.0
   83    85    91    97   0.26150  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    91   0.00000  1.0 1.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87    90   0.15000  1.0 3.0
   85    83    87    88  -0.11250  1.0 3.0
   85    83    87    89  -0.11250  1.0 3.0
   85    83    87    90  -0.11250  1.0 3.0
   85    91    93    94  -0.11250  1.0 3.0
   85    91    93    95  -0.11250  1.0 3.0
   85    91    93    96  -0.11250  1.0 3.0
   85    91    97    98  -0.11250  1.0 3.0
   85    91    97    99  -0.95700  1.0 1.0
   85    91    97    99  -0.18200 -1.0 2.0
   85    91    97    99   0.29450  1.0 3.0
   85    91    97   101  -0.09450  1.0 1.0
   85    91    97   101  -1.12950 -1.0 2.0
   85    91    97   101   0.54000  1.0 3.0
   86    85    91    92   0.00000  1.0 1.0
   86    85    91    93   0.30150 -1.0 2.0
   86    85    91    97   0.30150 -1.0 2.0
   91    97    99   100   0.15000  1.0 3.0
   91    97    99   103   0.56750  1.0 1.0
   91    97    99   103  -0.07550 -1.0 2.0
   91    97    99   103   0.20000  1.0 3.0
   91    97    99   107   0.56750  1.0 1.0
   91    97    99   107  -0.07550 -1.0 2.0
   91    97    99   107   0.20000  1.0 3.0
   91    97   101   102  -0.11600  1.0 1.0
   91    97   101   102  -0.09450 -1.0 2.0
   91    97   101   102   0.21250  1.0 3.0
   92    91    93    94   0.15000  1.0 3.0
   92    91    93    95   0.15000  1.0 3.0
   92    91    93    96   0.15000  1.0 3.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97    99   0.15000  1.0 3.0
   92    91    97   101   0.23400  1.0 3.0
   93    91    97    98   0.15000  1.0 3.0
   93    91    97    99   0.56750  1.0 1.0
   93    91    97    99  -0.07550 -1.0 2.0
   93    91    97    99   0.20000  1.0 3.0
   93    91    97   101   0.86500  1.0 1.0
   93    91    97   101  -0.17500 -1.0 2.0
   93    91    97   101   0.20800  1.0 3.0
   97    91    93    94   0.15000  1.0 3.0
   97    91    93    95   0.15000  1.0 3.0
   97    91    93    96   0.15000  1.0 3.0
   97    99   103   104   0.15000  1.0 3.0
   97    99   103   105   0.15000  1.0 3.0
   97    99   103   106   0.15000  1.0 3.0
   97    99   107   108   0.15000  1.0 3.0
   97    99   107   109   0.15000  1.0 3.0
   97    99   107   110   0.56750  1.0 1.0
   97    99   107   110  -0.07550 -1.0 2.0
   97    99   107   110   0.20000  1.0 3.0
   98    97    99   100   0.15000  1.0 3.0
   98    97    99   103   0.15000  1.0 3.0
   98    97    99   107   0.15000  1.0 3.0
   98    97   101   102   0.19450  1.0 3.0
   99    97   101   102  -0.11600  1.0 1.0
   99    97   101   102  -0.09450 -1.0 2.0
   99    97   101   102   0.21250  1.0 3.0
   99   107   110   111   0.15000  1.0 3.0
   99   107   110   112   0.15000  1.0 3.0
   99   107   110   113   0.15000  1.0 3.0
  100    99   103   104   0.15000  1.0 3.0
  100    99   103   105   0.15000  1.0 3.0
  100    99   103   106   0.15000  1.0 3.0
  100    99   107   108   0.15000  1.0 3.0
  100    99   107   109   0.15000  1.0 3.0
  100    99   107   110   0.15000  1.0 3.0
  103    99   107   108   0.15000  1.0 3.0
  103    99   107   109   0.15000  1.0 3.0
  103    99   107   110   0.56750  1.0 1.0
  103    99   107   110  -0.07550 -1.0 2.0
  103    99   107   110   0.20000  1.0 3.0
  107    99   103   104   0.15000  1.0 3.0
  107    99   103   105   0.15000  1.0 3.0
  107    99   103   106   0.15000  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110   112   0.15000  1.0 3.0
  108   107   110   113   0.15000  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110   112   0.15000  1.0 3.0
  109   107   110   113   0.15000  1.0 3.0
  101    97    99   100   0.23400  1.0 3.0
  101    97    99   103   0.86500  1.0 1.0
  101    97    99   103  -0.17500 -1.0 2.0
  101    97    99   103   0.20800  1.0 3.0
  101    97    99   107   0.86500  1.0 1.0
  101    97    99   107  -0.17500 -1.0 2.0
  101    97    99   107   0.20800  1.0 3.0
   87    83    85    86   0.30150 -1.0 2.0
   87    83    85    91   0.60050  1.0 1.0
   87    83    85    91   0.05600 -1.0 2.0
   87    83    85    91   0.26150  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   42    40    41    44   2.00000 -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    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   44    50    49    51  15.00000 -1.0 2.0
   53    52    51    49  15.00000 -1.0 2.0
   51    56    53    54  15.00000 -1.0 2.0
   59    55    54    53  15.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
   83    91    85    86  10.50000 -1.0 2.0
END
