* LIGAND DATABASE FILE (OPLS2005)
*
001     118   120    202    326     604
    1     0 S   NP   _N1_     1    30.27972    96.47550   -15.04969
    2     1 S   H    _HN1     2     1.02832    47.67378   143.58841
    3     1 S   H    _H1_     3     1.02784    60.52884   -44.00995
    4     1 S   H    _H2_     4     1.02939   115.73709    53.43377
    5     1 S   CT   _CA1     5     1.50169   133.06462  -137.71754
    6     5 S   HC   _HA1     6     1.09492   104.92337     8.13663
    7     5 S   CO3  _C1_     7     1.53830   112.43681  -111.70158
    8     7 S   O2Z  _O11     8     1.26358   114.96394   -43.14246
    9     7 S   O2Z  _O12     9     1.26338   114.99676   135.77530
   10     5 S   CT   _CB1    10     1.53071   107.34149   125.46813
   11    10 S   HC   HB11    11     1.09791   108.86682   -53.43957
   12    10 S   HC   HB12    12     1.09819   110.55012    62.87010
   13    10 S   CT   _CG1    13     1.52973   112.80326  -174.97079
   14    13 S   HC   HG11    14     1.09527   109.88308   -67.31466
   15    13 S   HC   HG12    15     1.09536   110.29376    51.69643
   16    13 S   C    _CD1    16     1.51826   112.26169   170.99087
   17    16 S   O    _OE1    17     1.22782   122.86386   -23.28756
   18    16 S   N    _N2_    18     1.38405   112.03684   158.69362
   19    18 S   H    _HN2    19     1.01890   118.80420    -1.28481
   20    18 S   CT1  _CA2    20     1.46180   123.74221   179.62206
   21    20 S   HC   _HA2    21     1.09767   109.29155   -25.00488
   22    20 S   C    _C2_    22     1.53176   106.53035  -140.20591
   23    22 S   O    _O2_    23     1.22935   123.04450  -128.98259
   24    20 S   CT   _CB2    32     1.53369   111.70884    97.73685
   25    24 S   HC   HB21    33     1.09474   109.92395    46.40117
   26    24 S   HC   HB22    34     1.09506   110.76516   164.98438
   27    22 S   N    _N3_    24     1.38609   112.68571    56.58276
   28    27 S   H    _HN3    25     1.01653   119.51416    -4.80004
   29    24 S   S    _SG2    35     1.83053   111.46515   -76.89732
   30    27 S   CT   _CA3    26     1.45285   122.77914   177.15862
   31    30 S   HC   HA31    27     1.09554   108.39190   -45.39150
   32    30 S   HC   HA32    28     1.09562   107.11449    70.95812
   33    29 S   CT   _C31    36     1.84036   100.07691   144.28312
   34    33 S   HC   _H3_    37     1.09598   105.32272    45.08833
   35    30 S   CO3  _C3_    29     1.52854   114.39083  -167.42363
   36    35 S   O2Z  _O31    30     1.26323   116.20359     8.58719
   37    35 S   O2Z  _O32    31     1.26468   114.39903  -171.24169
   38    33 S   CA   _C32    38     1.52144   110.78628   161.80694
   39    33 S   CM   _C30    51     1.51525   109.42639   -74.19446
   40    39 S   HC   _H32    52     1.08603   114.59805   -49.69733
   41    38 S   CA   _C33    39     1.40668   121.97945    63.98634
   42    41 S   HA   _H33    40     1.08758   120.42794    -0.20463
   43    39 S   CMA  _C29    53     1.35781   125.42097   129.45831
   44    43 S   OM   _O39    54     1.26316   126.52135     0.88603
   45    41 S   CA   _C34    41     1.39669   120.90878   179.96044
   46    45 S   HA   _H34    42     1.08606   119.32558   179.87333
   47    43 S   NE   _N5_    55     1.43183   121.31247  -179.66254
   48    45 S   CA   _C35    43     1.39231   119.69529    -0.18452
   49    47 S   CT   _C16    56     1.48162   122.94836   -10.73697
   50    49 S   HC   _H16    57     1.09709   110.83199   165.29598
   51    49 S   HC   _H17    58     1.09575   110.07276    50.13519
   52    47 S   CT   _C17    89     1.48744   123.77472   167.41574
   53    52 S   HC   _H18    90     1.09716   110.60667    44.80782
   54    52 S   HC   _H19    91     1.09750   110.71276   159.97226
   55    48 S   CA   _C36    44     1.39174   120.14763    -0.23985
   56    48 S   OH   _O38    49     1.36720   120.46410  -179.76845
   57    56 S   HO   _H37    50     0.97198   108.67023    -1.19518
   58    49 S   CT   _C15    59     1.53200   112.33849   -73.11169
   59    58 S   HC   _H14    60     1.09710   108.09793   175.11112
   60    58 S   HC   _H15    61     1.09516   110.35383    58.91504
   61    52 S   CT   _C18    92     1.53249   111.82254   -77.83857
   62    61 S   HC   _H20    93     1.09635   110.93959    55.40117
   63    61 S   HC   _H21    94     1.09764   108.27316   171.47308
   64    38 S   CA   _C37    45     1.40495   119.47224  -116.50738
   65    64 S   HA   _H35    46     1.08749   119.80369    -0.18023
   66    55 S   OH   _O37    47     1.36769   119.29983  -179.13182
   67    66 S   HO   _H36    48     0.97224   108.62164   176.95773
   68    58 S   CT   _C14    62     1.53270   112.92757   -64.24909
   69    68 S   HC   _H12    63     1.09616   109.83851    62.62593
   70    68 S   HC   _H13    64     1.09651   109.31717   -54.70334
   71    61 S   CT   _C19    95     1.52572   112.96979   -67.94153
   72    71 S   HC   _H22    96     1.09494   110.58970   -57.96126
   73    71 S   HC   _H23    97     1.09395   111.06069    62.34270
   74    68 S   CT   _C13    65     1.52854   112.35994  -175.26108
   75    74 S   HC   _H10    66     1.09557   109.54506   176.16477
   76    74 S   HC   _H11    67     1.09491   110.82019    56.95702
   77    71 S   N    _N6_    98     1.45161   110.90552  -176.36320
   78    77 S   H    _H24    99     1.01504   117.51949    79.92300
   79    74 S   N    _N4_    68     1.45096   112.36907   -63.27802
   80    79 S   H    _H9_    69     1.01496   117.53491    96.40546
   81    77 S   C    _C20   100     1.38091   122.68035  -101.39605
   82    81 S   O    _O34   101     1.22538   126.39361     0.84927
   83    79 S   C    _C12    70     1.38245   122.48078   -80.54255
   84    83 S   O    _O33    71     1.22532   125.56653    -2.27881
   85    81 S   CM   _C21   102     1.48401   111.48838  -179.01067
   86    85 S   HC   _H25   103     1.08576   116.45435   -48.49527
   87    83 S   CM   _C11    72     1.48736   111.59912   178.32299
   88    87 S   HC   _H8_    73     1.08659   116.40295    30.73626
   89    85 S   CM   _C22   104     1.34091   123.76065   132.55950
   90    89 S   HC   _H26   105     1.08840   117.94156   177.05470
   91    87 S   CM   _C10    74     1.34082   125.00332  -151.22991
   92    91 S   HC   _H7_    75     1.08877   117.76801  -176.57886
   93    89 S   CA   _C23   106     1.46925   127.42780    -4.01361
   94    91 S   CA   _C9_    76     1.46780   128.03860     4.64359
   95    93 S   CA   _C24   107     1.40125   118.98511   133.39466
   96    95 S   HA   _H27   108     1.08812   120.59056    -2.26036
   97    94 S   CA   _C4_    77     1.40186   118.89006  -128.96615
   98    97 S   HA   _H4_    78     1.08782   120.50073     2.30970
   99    95 S   CA   _C25   109     1.39697   120.59991   178.29705
  100    99 S   HA   _H28   110     1.08655   119.25848   179.15977
  101    97 S   CA   _C5_    79     1.39639   120.55165  -177.90735
  102   101 S   HA   _H5_    80     1.08608   119.36443  -179.56840
  103    99 S   CA   _C26   111     1.39262   119.77047    -0.58917
  104   101 S   CA   _C6_    81     1.39314   119.66970     0.65252
  105   103 S   CA   _C27   112     1.39152   120.08517    -0.48578
  106   103 S   OH   _O36   117     1.36697   120.44900   179.38770
  107   106 S   HO   _H31   118     0.97246   108.47250    -2.82695
  108   104 S   CA   _C7_    82     1.39290   120.22410     0.15577
  109   104 S   OH   _O41    87     1.36747   120.38798   179.86438
  110   109 S   HO   _H39    88     0.97183   108.70651     0.75821
  111    93 S   CA   _C28   113     1.40258   121.83229   -50.07108
  112   111 S   HA   _H29   114     1.08741   120.38360     1.36186
  113   105 S   OH   _O35   115     1.36724   119.37521  -179.53061
  114   113 S   HO   _H30   116     0.97610   108.67672  -169.96093
  115    94 S   CA   _C8_    83     1.40271   121.71885    54.53943
  116   115 S   HA   _H6_    84     1.08750   120.22873    -2.05119
  117   108 S   OH   _O40    85     1.36704   119.07183   179.46222
  118   117 S   HO   _H38    86     0.97650   109.33969  -179.18555
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   8   3   8   4  10   3   7   3  14   7
  13   6   5  10   5   4   6   3   1   9   5   4   8   5   4   3
   1   1   1   8   5   4   7   4   3   7   4   3   6   3   6   3
   6   3   6   3   6   3   6   3   8   3   8   3   9   9   8   4
   8   4   7   3   7   3   7   7   6   3   1   6   3   1   3   1
   1   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    55    64    65    39    40    43    44    47  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    55    64    65    66    39    40    43  
   40    43    44    47    49    52    41    64  
   43    44    47  
   42    45    46    48    55    64    65    56  
   45    46    48    64  
   44    47    49    50    51    58    52    53    54    61  
   47    49    52  
   46    48    55    64    66    56    57  
   48    55    56  
   49    50    51    58    59    60    68    52    53    54    61    62    63    71  
   55    64    65    66    67    56    57  
   50    51    58    59    60    68    69    70    74    52    53    54    61  
   51    58    59    60    68    52  
   58    59    60    68    52  
   53    54    61    62    63    71    72    73    77    58  
   54    61    62    63    71  
   61    62    63    71  
   64    65    66    67    56    57  
   57    64    66  
    0  
   59    60    68    69    70    74    75    76    79  
   60    68    69    70    74  
   68    69    70    74  
   62    63    71    72    73    77    78    81  
   63    71    72    73    77  
   71    72    73    77  
   65    66    67  
   66  
   67  
    0  
   69    70    74    75    76    79    80    83  
   70    74    75    76    79  
   74    75    76    79  
   72    73    77    78    81    82    85  
   73    77    78    81  
   77    78    81  
   75    76    79    80    83    84    87  
   76    79    80    83  
   79    80    83  
   78    81    82    85    86    89  
   81    82    85  
   80    83    84    87    88    91  
   83    84    87  
   82    85    86    89    90    93  
   85    86    89  
   84    87    88    91    92    94  
   87    88    91  
   86    89    90    93    95   111  
   89    90    93  
   88    91    92    94    97   115  
   91    92    94  
   90    93    95    96    99   105   111   112  
   93    95   111  
   92    94    97    98   101   108   115   116  
   94    97   115  
   95    96    99   100   103   105   111   112   113  
   97    98   101   102   104   108   115   116   117  
   96    99   100   103   105   111   112   106  
   99   100   103   111  
   98   101   102   104   108   115   116   109  
  101   102   104   115  
  100   103   105   111   113   106   107  
  103   105   106  
  102   104   108   115   117   109   110  
  104   108   109  
  105   111   112   113   114   106   107  
  108   115   116   117   118   109   110  
  111   112   113   114   106   107  
  107   111   113  
    0  
  115   116   117   118   109   110  
  110   115   117  
    0  
  112   113   114  
  113  
  114  
    0  
  116   117   118  
  117  
  118  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   78   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   79   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   80   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   81   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   83   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   85   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   94   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  104   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  109   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  111   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  112   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  113   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  114   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  115   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  116   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  117   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  118   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    64   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    55   469.000  1.400
   48    56   450.000  1.364
   55    64   469.000  1.400
   55    66   450.000  1.364
   64    65   367.000  1.080
   66    67   553.000  0.945
   56    57   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    49   382.000  1.448
   47    52   382.000  1.448
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   337.000  1.449
   79    80   434.000  1.010
   79    83   490.000  1.335
   83    84   570.000  1.229
   83    87   410.000  1.444
   87    88   340.000  1.080
   87    91   549.000  1.340
   91    92   340.000  1.080
   91    94   320.000  1.460
   94    97   469.000  1.400
   94   115   469.000  1.400
   97    98   367.000  1.080
   97   101   469.000  1.400
  101   102   367.000  1.080
  101   104   469.000  1.400
  104   108   469.000  1.400
  104   109   450.000  1.364
  108   115   469.000  1.400
  108   117   450.000  1.364
  115   116   367.000  1.080
  117   118   553.000  0.945
  109   110   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   337.000  1.449
   77    78   434.000  1.010
   77    81   490.000  1.335
   81    82   570.000  1.229
   81    85   410.000  1.444
   85    86   340.000  1.080
   85    89   549.000  1.340
   89    90   340.000  1.080
   89    93   320.000  1.460
   93    95   469.000  1.400
   93   111   469.000  1.400
   95    96   367.000  1.080
   95    99   469.000  1.400
   99   100   367.000  1.080
   99   103   469.000  1.400
  103   105   469.000  1.400
  103   106   450.000  1.364
  105   111   469.000  1.400
  105   113   450.000  1.364
  111   112   367.000  1.080
  113   114   553.000  0.945
  106   107   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    64    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    64    55    63.00000  120.00000
   38    64    65    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    55    63.00000  120.00000
   45    48    56    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    55    64    63.00000  120.00000
   48    55    66    70.00000  120.00000
   48    56    57    35.00000  113.00000
   55    64    65    35.00000  120.00000
   55    66    67    35.00000  113.00000
   64    38    41    63.00000  120.00000
   66    55    64    70.00000  120.00000
   56    48    55    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    49    50.00000  121.00000
   43    47    52    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    58    80.00000  111.61500
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    61    80.00000  111.61500
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    68    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    68    69    37.50000  110.70000
   58    68    70    37.50000  110.70000
   58    68    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   68    58    59    37.50000  110.70000
   68    58    60    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    70.00000  110.72300
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    79    80    38.00000  118.40000
   74    79    83    50.00000  121.90000
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   79    83    84    80.00000  122.90000
   79    83    87    80.00000  111.56200
   83    79    80    35.00000  119.80000
   83    87    88    35.00000  119.70000
   83    87    91    70.00000  118.70000
   87    83    84    80.00000  125.30000
   87    91    92    35.00000  120.00000
   87    91    94    60.00000  123.20500
   91    87    88    35.00000  120.00000
   91    94    97    60.00000  120.93500
   91    94   115    60.00000  120.93500
   94    91    92    40.00000  117.26300
   94    97    98    35.00000  120.00000
   94    97   101    63.00000  120.00000
   94   115   108    63.00000  120.00000
   94   115   116    35.00000  120.00000
   97   101   102    35.00000  120.00000
   97   101   104    63.00000  120.00000
  101    97    98    35.00000  120.00000
  101   104   108    63.00000  120.00000
  101   104   109    70.00000  120.00000
  104   101   102    35.00000  120.00000
  104   108   115    63.00000  120.00000
  104   108   117    70.00000  120.00000
  104   109   110    35.00000  113.00000
  108   115   116    35.00000  120.00000
  108   117   118    35.00000  113.00000
  115    94    97    63.00000  120.00000
  117   108   115    70.00000  120.00000
  109   104   108    70.00000  120.00000
   52    47    49    50.00000  115.00000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    71    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    71    72    37.50000  110.70000
   61    71    73    37.50000  110.70000
   61    71    77    70.00000  110.72300
   63    61    62    33.00000  107.80000
   71    61    62    37.50000  110.70000
   71    61    63    37.50000  110.70000
   71    77    78    38.00000  118.40000
   71    77    81    50.00000  121.90000
   73    71    72    33.00000  107.80000
   77    71    72    35.00000  109.50000
   77    71    73    35.00000  109.50000
   77    81    82    80.00000  122.90000
   77    81    85    80.00000  111.56200
   81    77    78    35.00000  119.80000
   81    85    86    35.00000  119.70000
   81    85    89    70.00000  118.70000
   85    81    82    80.00000  125.30000
   85    89    90    35.00000  120.00000
   85    89    93    60.00000  123.20500
   89    85    86    35.00000  120.00000
   89    93    95    60.00000  120.93500
   89    93   111    60.00000  120.93500
   93    89    90    40.00000  117.26300
   93    95    96    35.00000  120.00000
   93    95    99    63.00000  120.00000
   93   111   105    63.00000  120.00000
   93   111   112    35.00000  120.00000
   95    99   100    35.00000  120.00000
   95    99   103    63.00000  120.00000
   99    95    96    35.00000  120.00000
   99   103   105    63.00000  120.00000
   99   103   106    70.00000  120.00000
  103    99   100    35.00000  120.00000
  103   105   111    63.00000  120.00000
  103   105   113    70.00000  120.00000
  103   106   107    35.00000  113.00000
  105   111   112    35.00000  120.00000
  105   113   114    35.00000  113.00000
  111    93    95    63.00000  120.00000
  113   105   111    70.00000  120.00000
  106   103   105    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    64  -0.16000  1.0 1.0
   29    33    38    64  -0.03200 -1.0 2.0
   29    33    38    64   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    64    55   3.62500 -1.0 2.0
   33    38    64    65   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    64   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    64    55   3.62500 -1.0 2.0
   41    38    64    65   3.62500 -1.0 2.0
   41    45   -48    55   3.62500 -1.0 2.0
   41    45    48    56   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    55    64   3.62500 -1.0 2.0
   45    48    55    66   3.62500 -1.0 2.0
   45    48    56    57   0.84100 -1.0 2.0
   46    45    48    55   3.62500 -1.0 2.0
   46    45    48    56   3.62500 -1.0 2.0
   48    55   -64    38   3.62500 -1.0 2.0
   48    55    64    65   3.62500 -1.0 2.0
   48    55    66    67   0.84100 -1.0 2.0
   55    48    56    57   0.84100 -1.0 2.0
   64    38    41    42   3.62500 -1.0 2.0
   64    38   -41    45   3.62500 -1.0 2.0
   64    55    66    67   0.84100 -1.0 2.0
   66    55    64    38   3.62500 -1.0 2.0
   66    55    64    65   3.62500 -1.0 2.0
   56    48    55    64   3.62500 -1.0 2.0
   56    48    55    66   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    64   0.18050 -1.0 2.0
   39    43    47    49  -0.54700  1.0 1.0
   39    43    47    49   1.23000 -1.0 2.0
   39    43    47    52  -0.54700  1.0 1.0
   39    43    47    52   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.00000  1.0 1.0
   43    47    49    51   0.00000  1.0 1.0
   43    47    49    58   0.25450  1.0 1.0
   43    47    49    58  -0.61700 -1.0 2.0
   43    47    49    58  -0.23550  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    54   0.00000  1.0 1.0
   43    47    52    61   0.25450  1.0 1.0
   43    47    52    61  -0.61700 -1.0 2.0
   43    47    52    61  -0.23550  1.0 3.0
   44    43    47    49   1.00000 -1.0 2.0
   44    43    47    52   1.00000 -1.0 2.0
   47    49    58    59   0.22950  1.0 3.0
   47    49    58    60   0.22950  1.0 3.0
   47    49    58    68   1.26750  1.0 1.0
   47    49    58    68  -0.00950 -1.0 2.0
   47    49    58    68   0.30600  1.0 3.0
   47    52    61    62   0.22950  1.0 3.0
   47    52    61    63   0.22950  1.0 3.0
   47    52    61    71   1.26750  1.0 1.0
   47    52    61    71  -0.00950 -1.0 2.0
   47    52    61    71   0.30600  1.0 3.0
   49    47    52    53   0.00000  1.0 1.0
   49    47    52    54   0.00000  1.0 1.0
   49    47    52    61   0.00000  1.0 1.0
   49    58    68    69   0.15000  1.0 3.0
   49    58    68    70   0.15000  1.0 3.0
   49    58    68    74   0.56750  1.0 1.0
   49    58    68    74  -0.07550 -1.0 2.0
   49    58    68    74   0.20000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    68   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    68   0.15000  1.0 3.0
   58    68    74    75   0.15000  1.0 3.0
   58    68    74    76   0.15000  1.0 3.0
   58    68    74    79   0.43900  1.0 1.0
   58    68    74    79   0.49100 -1.0 2.0
   58    68    74    79   0.28400  1.0 3.0
   59    58    68    69   0.15000  1.0 3.0
   59    58    68    70   0.15000  1.0 3.0
   59    58    68    74   0.15000  1.0 3.0
   60    58    68    69   0.15000  1.0 3.0
   60    58    68    70   0.15000  1.0 3.0
   60    58    68    74   0.15000  1.0 3.0
   68    74    79    80   0.00000  1.0 1.0
   68    74    79    83  -0.43950  1.0 1.0
   68    74    79    83  -0.08100 -1.0 2.0
   68    74    79    83   0.03350  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    79   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    79   0.15000  1.0 3.0
   74    79    83    84   3.04450 -1.0 2.0
   74    79    83    87   1.49850  1.0 1.0
   74    79    83    87   1.53950 -1.0 2.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    83   0.00000  1.0 1.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    83   0.00000  1.0 1.0
   79    83    87    88   0.65100 -1.0 2.0
   79    83    87    91   0.49500  1.0 1.0
   79    83    87    91   1.31600 -1.0 2.0
   79    83    87    91  -0.02300  1.0 3.0
   80    79    83    84   2.45000 -1.0 2.0
   80    79    83    87   2.56700 -1.0 2.0
   83    87    91    92   7.00000 -1.0 2.0
   83    87    91    94   7.00000 -1.0 2.0
   84    83    87    88   0.00000  1.0 1.0
   84    83    87    91   1.00000 -1.0 2.0
   87    91    94    97   0.15800  1.0 1.0
   87    91    94    97   1.85350 -1.0 2.0
   87    91    94    97  -0.48700  1.0 3.0
   87    91    94   115   0.15800  1.0 1.0
   87    91    94   115   1.85350 -1.0 2.0
   87    91    94   115  -0.48700  1.0 3.0
   88    87    91    92   7.00000 -1.0 2.0
   88    87    91    94   7.00000 -1.0 2.0
   91    94    97    98   3.62500 -1.0 2.0
   91    94    97   101   3.62500 -1.0 2.0
   91    94   115   108   3.62500 -1.0 2.0
   91    94   115   116   3.62500 -1.0 2.0
   92    91    94    97   0.56550  1.0 3.0
   92    91    94   115   0.56550  1.0 3.0
   94    97   101   102   3.62500 -1.0 2.0
   94    97   101   104   3.62500 -1.0 2.0
   97    94   115   108   3.62500 -1.0 2.0
   97    94   115   116   3.62500 -1.0 2.0
   97   101  -104   108   3.62500 -1.0 2.0
   97   101   104   109   3.62500 -1.0 2.0
   98    97   101   102   3.62500 -1.0 2.0
   98    97   101   104   3.62500 -1.0 2.0
  101   104   108   115   3.62500 -1.0 2.0
  101   104   108   117   3.62500 -1.0 2.0
  101   104   109   110   0.84100 -1.0 2.0
  102   101   104   108   3.62500 -1.0 2.0
  102   101   104   109   3.62500 -1.0 2.0
  104   108  -115    94   3.62500 -1.0 2.0
  104   108   115   116   3.62500 -1.0 2.0
  104   108   117   118   0.84100 -1.0 2.0
  108   104   109   110   0.84100 -1.0 2.0
  115    94    97    98   3.62500 -1.0 2.0
  115    94   -97   101   3.62500 -1.0 2.0
  115   108   117   118   0.84100 -1.0 2.0
  117   108   115    94   3.62500 -1.0 2.0
  117   108   115   116   3.62500 -1.0 2.0
  109   104   108   115   3.62500 -1.0 2.0
  109   104   108   117   3.62500 -1.0 2.0
   52    47    49    50   0.00000  1.0 1.0
   52    47    49    51   0.00000  1.0 1.0
   52    47    49    58   0.00000  1.0 1.0
   52    61    71    72   0.15000  1.0 3.0
   52    61    71    73   0.15000  1.0 3.0
   52    61    71    77   0.43900  1.0 1.0
   52    61    71    77   0.49100 -1.0 2.0
   52    61    71    77   0.28400  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    71   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    71   0.15000  1.0 3.0
   61    71    77    78   0.00000  1.0 1.0
   61    71    77    81  -0.43950  1.0 1.0
   61    71    77    81  -0.08100 -1.0 2.0
   61    71    77    81   0.03350  1.0 3.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    73   0.15000  1.0 3.0
   62    61    71    77   0.15000  1.0 3.0
   63    61    71    72   0.15000  1.0 3.0
   63    61    71    73   0.15000  1.0 3.0
   63    61    71    77   0.15000  1.0 3.0
   71    77    81    82   3.04450 -1.0 2.0
   71    77    81    85   1.49850  1.0 1.0
   71    77    81    85   1.53950 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    81   0.00000  1.0 1.0
   73    71    77    78   0.00000  1.0 1.0
   73    71    77    81   0.00000  1.0 1.0
   77    81    85    86   0.65100 -1.0 2.0
   77    81    85    89   0.49500  1.0 1.0
   77    81    85    89   1.31600 -1.0 2.0
   77    81    85    89  -0.02300  1.0 3.0
   78    77    81    82   2.45000 -1.0 2.0
   78    77    81    85   2.56700 -1.0 2.0
   81    85    89    90   7.00000 -1.0 2.0
   81    85    89    93   7.00000 -1.0 2.0
   82    81    85    86   0.00000  1.0 1.0
   82    81    85    89   1.00000 -1.0 2.0
   85    89    93    95   0.15800  1.0 1.0
   85    89    93    95   1.85350 -1.0 2.0
   85    89    93    95  -0.48700  1.0 3.0
   85    89    93   111   0.15800  1.0 1.0
   85    89    93   111   1.85350 -1.0 2.0
   85    89    93   111  -0.48700  1.0 3.0
   86    85    89    90   7.00000 -1.0 2.0
   86    85    89    93   7.00000 -1.0 2.0
   89    93    95    96   3.62500 -1.0 2.0
   89    93    95    99   3.62500 -1.0 2.0
   89    93   111   105   3.62500 -1.0 2.0
   89    93   111   112   3.62500 -1.0 2.0
   90    89    93    95   0.56550  1.0 3.0
   90    89    93   111   0.56550  1.0 3.0
   93    95    99   100   3.62500 -1.0 2.0
   93    95    99   103   3.62500 -1.0 2.0
   95    93   111   105   3.62500 -1.0 2.0
   95    93   111   112   3.62500 -1.0 2.0
   95    99  -103   105   3.62500 -1.0 2.0
   95    99   103   106   3.62500 -1.0 2.0
   96    95    99   100   3.62500 -1.0 2.0
   96    95    99   103   3.62500 -1.0 2.0
   99   103   105   111   3.62500 -1.0 2.0
   99   103   105   113   3.62500 -1.0 2.0
   99   103   106   107   0.84100 -1.0 2.0
  100    99   103   105   3.62500 -1.0 2.0
  100    99   103   106   3.62500 -1.0 2.0
  103   105  -111    93   3.62500 -1.0 2.0
  103   105   111   112   3.62500 -1.0 2.0
  103   105   113   114   0.84100 -1.0 2.0
  105   103   106   107   0.84100 -1.0 2.0
  111    93    95    96   3.62500 -1.0 2.0
  111    93   -95    99   3.62500 -1.0 2.0
  111   105   113   114   0.84100 -1.0 2.0
  113   105   111    93   3.62500 -1.0 2.0
  113   105   111   112   3.62500 -1.0 2.0
  106   103   105   111   3.62500 -1.0 2.0
  106   103   105   113   3.62500 -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
   41    64    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   55    56    48    45   4.00000 -1.0 2.0
   64    66    55    48   4.00000 -1.0 2.0
   55    65    64    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   52    43    47    49   1.00000 -1.0 2.0
   80    83    79    74   1.00000 -1.0 2.0
   79    87    83    84  10.50000 -1.0 2.0
   83    88    87    91  15.00000 -1.0 2.0
   94    92    91    87  15.00000 -1.0 2.0
   97   115    94    91   4.00000 -1.0 2.0
  101    98    97    94   1.10000 -1.0 2.0
  104   102   101    97   1.10000 -1.0 2.0
  108   109   104   101   4.00000 -1.0 2.0
  115   117   108   104   4.00000 -1.0 2.0
  108   116   115    94   1.10000 -1.0 2.0
   78    81    77    71   1.00000 -1.0 2.0
   77    85    81    82  10.50000 -1.0 2.0
   81    86    85    89  15.00000 -1.0 2.0
   93    90    89    85  15.00000 -1.0 2.0
   95   111    93    89   4.00000 -1.0 2.0
   99    96    95    93   1.10000 -1.0 2.0
  103   100    99    95   1.10000 -1.0 2.0
  105   106   103    99   4.00000 -1.0 2.0
  111   113   105   103   4.00000 -1.0 2.0
  105   112   111    93   1.10000 -1.0 2.0
END
