* LIGAND DATABASE FILE (OPLS2005)
*
001     117   121    232    373     699
    1     0 S   NP   _N1_     1    28.26292    94.80641   -25.15937
    2     1 S   H    _HN1     2     1.02835    21.64747   165.22853
    3     1 S   H    _H1_     3     1.02775   111.18765  -109.53716
    4     1 S   H    _H2_     4     1.02958    86.00663    -1.39858
    5     1 S   CT   _CA1     5     1.50144   124.76391   110.71244
    6     5 S   HC   _HA1     6     1.09576   105.19954    77.90549
    7     5 S   CO3  _C1_     7     1.53779   112.34399   -42.24890
    8     7 S   O2Z  _O11     8     1.26369   114.98832   -43.84010
    9     7 S   O2Z  _O12     9     1.26234   114.92964   135.17251
   10     5 S   CT   _CB1    10     1.53092   107.40963  -164.20701
   11    10 S   HC   HB11    11     1.09829   109.30239   -50.43780
   12    10 S   HC   HB12    12     1.09815   110.44113    66.10807
   13    10 S   CT   _CG1    13     1.53024   112.69011  -171.50553
   14    13 S   HC   HG11    14     1.09594   110.50379   -65.04677
   15    13 S   HC   HG12    15     1.09660   109.90443    54.15739
   16    13 S   C    _CD1    16     1.51850   112.28681   174.50442
   17    16 S   O    _OE1    17     1.22759   123.27995     1.41139
   18    16 S   N    _N2_    18     1.38533   111.73198  -178.53166
   19    18 S   H    _HN2    19     1.01561   119.12189     3.50599
   20    18 S   CT1  _CA2    20     1.45888   122.88609   178.08603
   21    20 S   HC   _HA2    21     1.09722   108.88121    26.30295
   22    20 S   C    _C2_    22     1.52917   106.79506   -90.94405
   23    22 S   O    _O2_    23     1.23009   122.94595   -30.05935
   24    20 S   CT   _CB2    32     1.53338   112.19135   149.58955
   25    24 S   HC   HB21    33     1.09326   109.40133    55.39274
   26    24 S   HC   HB22    34     1.09416   109.59609   173.93567
   27    22 S   N    _N3_    24     1.38494   112.69852   152.62580
   28    27 S   H    _HN3    25     1.01666   120.37190    -1.45616
   29    24 S   S    _SG2    35     1.82742   110.58333   -66.04931
   30    27 S   CT   _CA3    26     1.45353   122.35942   178.66119
   31    30 S   HC   HA31    27     1.09578   107.52721   -61.49764
   32    30 S   HC   HA32    28     1.09577   107.84537    54.77544
   33    29 S   CT   _C17    36     1.92658   102.50966   169.82753
   34    30 S   CO3  _C3_    29     1.52879   114.48619   176.70907
   35    34 S   O2Z  _O31    30     1.26313   116.13482    -2.35825
   36    34 S   O2Z  _O32    31     1.26463   114.37734   177.73765
   37    33 S   CT   _C16    37     1.60173   109.89905    52.93095
   38    37 S   OM   _O40    38     1.32400   110.25183    57.31932
   39    37 S   HC   _H5_    39     1.10145   102.91495   -67.71045
   40    33 S   CT   _C18    59     1.58404   103.76479   176.57675
   41    40 S   HC   _H6_    60     1.09889   109.06600   -48.79832
   42    33 S   CT   _C33   113     1.56881   105.92463   -64.94699
   43    42 S   HC   _H44   114     1.09099   111.36967  -168.96811
   44    42 S   HC   _H45   115     1.09476   111.11645    73.12277
   45    37 S   CT   _C15    40     1.58804   114.17271  -177.25819
   46    45 S   HC   _H4_    41     1.09437   105.17571    38.77640
   47    40 S   OH   _O38    61     1.43947   108.49305    65.62298
   48    47 S   HO   _H43    62     0.97244   108.28882  -173.67522
   49    42 S   OH   _O39   116     1.42367   114.14698   -48.45222
   50    49 S   HO   _H46   117     0.97175   107.20744  -176.44059
   51    45 S   CT   _C14    42     1.55715   111.03027   152.47920
   52    51 S   HC   _H3_    43     1.09434   110.76645   -53.17081
   53    51 S   CT   _C24    44     1.55452   112.93267   177.77077
   54    51 S   OS   _O33    71     1.43074   106.85868    66.08789
   55    53 S   CT   _C23    45     1.53396   111.87520    18.54639
   56    55 S   HC   _H28    46     1.09765   110.25096   178.21326
   57    55 S   HC   _H29    47     1.09803   109.88785    62.01661
   58    53 S   OS   _O35    72     1.44698   104.21119   -94.06271
   59    53 S   CM   _C25   105     1.52709   112.28593   146.72416
   60    55 S   CT   _C22    48     1.55993   112.20170   -58.90085
   61    60 S   HC   _H8_    49     1.09278   104.44326   148.54113
   62    59 S   CM   _C26   106     1.34470   123.40266   107.70733
   63    62 S   HC   _H30   107     1.08536   121.36271   180.00000
   64    62 S   HC   _H31   108     1.08452   122.17045    -0.20558
   65    59 S   CT   _C27   109     1.50770   117.10263   -72.16661
   66    65 S   HC   _H32   110     1.09437   110.58460   -66.96661
   67    65 S   HC   _H33   111     1.09395   111.02610    53.61674
   68    65 S   HC   _H34   112     1.09561   112.05664   173.38467
   69    45 S   CT   _C21    50     1.57356   120.77524   -82.41681
   70    60 S   CT   _C28   101     1.53857   109.47999   -98.94931
   71    70 S   HC   _H35   102     1.09236   112.93044    74.91471
   72    70 S   HC   _H36   103     1.09613   110.64517   -45.47588
   73    70 S   HC   _H37   104     1.09093   111.78439  -162.79276
   74    69 S   CT   _C20    51     1.55713   111.47070    33.12801
   75    74 S   HC   _H7_    52     1.09926   107.06013   -75.61055
   76    69 S   OS   _O34    69     1.46149   109.29766   -81.53791
   77    74 S   CM   _C29    53     1.50678   117.31429   172.54796
   78    77 S   HC   _H38    54     1.08305   121.86774    42.10902
   79    76 S   CO   _C13    70     1.43881   115.66598   -42.71895
   80    77 S   CM   _C30    55     1.33442   115.14693  -144.81604
   81    79 S   CT   _C12    73     1.52805   108.92796   177.68785
   82    81 S   HC   _H26    74     1.09752   109.16785   -61.15525
   83    81 S   HC   _H27    75     1.09762   109.26780  -177.46102
   84    80 S   CO4  _C31    56     1.47344   105.54312     2.28893
   85    84 S   O    _O36    57     1.22320   122.56397  -173.96074
   86    80 S   CT   _C32    65     1.47749   130.26072  -175.47723
   87    86 S   HC   _H39    66     1.09444   110.59786   119.53631
   88    86 S   HC   _H40    67     1.09477   111.40848    -0.49337
   89    86 S   HC   _H41    68     1.09443   110.45449  -120.42694
   90    81 S   CT   _C11    76     1.53224   113.14858    60.68911
   91    90 S   HC   _H24    77     1.09645   109.79574    58.58263
   92    90 S   HC   _H25    78     1.09645   109.88662   -59.07016
   93    74 S   CT   _C19    58     1.54671   118.20034    46.69101
   94    90 S   CT   _C10    79     1.52997   111.22186   179.74589
   95    94 S   HC   _H22    80     1.09678   109.57098    58.67541
   96    94 S   HC   _H23    81     1.09680   109.57124   -58.64282
   97    93 S   OH   _O37    63     1.41948   114.26986    36.36983
   98    97 S   HO   _H42    64     0.97185   109.02637    63.51104
   99    94 S   CT   _C9_    82     1.52959   111.29738  -179.97202
  100    99 S   HC   _H20    83     1.09683   109.56408    58.60957
  101    99 S   HC   _H21    84     1.09682   109.56739   -58.67276
  102    99 S   CT   _C8_    85     1.52955   111.33096   179.95577
  103   102 S   HC   _H18    86     1.09680   109.56858    58.66361
  104   102 S   HC   _H19    87     1.09682   109.56481   -58.62547
  105   102 S   CT   _C7_    88     1.52959   111.32547  -179.96044
  106   105 S   HC   _H16    89     1.09682   109.56712   -58.66158
  107   105 S   HC   _H17    90     1.09683   109.56374    58.62175
  108   105 S   CT   _C6_    91     1.52958   111.33689   179.97202
  109   108 S   HC   _H14    92     1.09685   109.57612   -58.60889
  110   108 S   HC   _H15    93     1.09685   109.57676    58.66285
  111   108 S   CT   _C5_    94     1.52849   111.32620  -179.96574
  112   111 S   HC   _H12    95     1.09623   109.86521   -58.87223
  113   111 S   HC   _H13    96     1.09623   109.86538    58.85471
  114   111 S   CT   _C4_    97     1.52037   111.49822   180.00000
  115   114 S   HC   _H9_    98     1.09470   111.00130   -60.27043
  116   114 S   HC   _H10    99     1.09469   111.00128    60.25033
  117   114 S   HC   _H11   100     1.09449   110.26098   180.00000
  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  13   5   4   3
  20   2   1   1  20   7   6  18   7   7   3   2  18   8   5   1
   1   1  16   7  20  10  16   7   6  11   9  12   7   6   2   1
   3   2   1   1  15   5   2   1   1  12   7   7  10   4   7   8
   9   5   4   8   3   4   2   1   1   9   5   4   2   9   5   4
   1   1   9   5   4   9   5   4   9   5   4   9   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    93    40    41    47    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    51    69    74    84    93    40    41    47    48    97    42    43    44    49    50  
   35    36  
   36  
    0  
   38    39    45    46    51    52    53    60    69    74    93    40    41    47    76    54    42    43    44    49  
   39    45    46    51    69    40    42  
   45    46    51    69    40    42  
   41    47    48    97    98    42    43    44    49    45    69    74    75    77    80    84    85    93  
   47    48    97    42    74    84    93  
   43    44    49    50    45    47    93  
   44    49    50  
   49    50  
   46    51    52    53    55    60    61    69    74    75    77    93    76    79    54    58    70    59  
   51    52    53    60    69    74    76    54  
   48    97    74    84    93  
   93  
   50  
    0  
   52    53    55    56    57    60    69    74    76    79    54    58    81    59    62    65  
   53    55    69    79    54    58    59  
   55    56    57    60    61    69    76    79    54    58    81    70    59    62    63    64    65    66    67    68  
   58    81    82    83    90    59    55    69    76    79  
   56    57    60    61    69    74    76    79    58    70    71    72    73    59    62    65  
   57    60    61    69    58    70    59  
   60    61    69    58    70    59  
   81    82    83    90    59    62    65    60    69    76    79  
   62    63    64    65    66    67    68    60    79  
   61    69    74    75    77    93    76    79    70    71    72    73  
   69    74    76    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   74    75    77    78    80    84    93    97    76    79    81    70    71    72    73  
   71    72    73    74    76  
   72    73  
   73  
    0  
   75    77    78    80    84    85    93    97    98    86    76    79  
   77    78    80    84    93    97    76  
   79    81    82    83    90    77    93  
   78    80    84    85    93    97    86    87    88    89  
   80    84    93    86  
   81    82    83    90    91    92    94  
   84    85    93    97    86    87    88    89  
   82    83    90    91    92    94    95    96    99  
   83    90    91    92    94  
   90    91    92    94  
   85    93    97    98    86    87    88    89  
   93    97    86  
   87    88    89    93  
   88    89  
   89  
    0  
   91    92    94    95    96    99   100   101   102  
   92    94    95    96    99  
   94    95    96    99  
   97    98  
   95    96    99   100   101   102   103   104   105  
   96    99   100   101   102  
   99   100   101   102  
   98  
    0  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111   112   113   114   115   116   117  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114   115   116   117  
  113   114   115   116   117  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    69   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    54   320.000  1.410
   53    55   268.000  1.529
   53    58   320.000  1.410
   53    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    69   268.000  1.529
   60    70   268.000  1.529
   69    74   268.000  1.529
   69    76   320.000  1.410
   74    75   340.000  1.090
   74    77   317.000  1.510
   74    93   268.000  1.529
   77    78   340.000  1.080
   77    80   549.000  1.340
   80    84   320.000  1.462
   80    86   317.000  1.510
   84    85   570.000  1.229
   84    93   317.000  1.522
   93    40   268.000  1.529
   93    97   320.000  1.410
   40    41   340.000  1.090
   40    47   320.000  1.410
   47    48   553.000  0.945
   97    98   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    79   320.000  1.380
   79    54   320.000  1.380
   79    58   320.000  1.380
   79    81   250.000  1.527
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    62   549.000  1.340
   59    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.410
   49    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    93    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    47    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    49    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    51    58.35000  112.70000
   37    45    69    58.35000  112.70000
   39    37    38    45.00000  125.66300
   45    37    38    50.00000  109.50000
   45    37    39    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    58.35000  112.70000
   45    51    54    50.00000  109.50000
   45    69    60    58.35000  112.70000
   45    69    74    58.35000  112.70000
   45    69    76    50.00000  109.50000
   51    45    46    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    50.00000  109.50000
   51    53    59    70.00000  112.02700
   51    54    79    60.00000  109.50000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    79    60.00000  109.50000
   53    59    62    70.00000  124.00000
   53    59    65    65.00000  117.92700
   55    60    61    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    60    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    69    74    58.35000  112.70000
   60    69    76    50.00000  109.50000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   69    45    46    37.50000  110.70000
   69    45    51    58.35000  112.70000
   69    60    61    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    77    70.00000  112.02700
   69    74    93    58.35000  112.70000
   69    76    79    60.00000  109.50000
   74    77    78    35.00000  117.00000
   74    77    80    70.00000  124.00000
   74    93    84    63.00000  111.10000
   74    93    40    58.35000  112.70000
   74    93    97    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    80    84    65.00000  118.96000
   77    80    86    70.00000  124.00000
   80    77    78    35.00000  120.00000
   80    84    85    80.00000  123.72100
   80    84    93    65.00000  118.62400
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    89    35.00000  109.50000
   84    93    40    63.00000  111.10000
   84    93    97    90.00000  109.61100
   93    74    75    37.50000  110.70000
   93    74    77    70.00000  112.02700
   93    84    85    80.00000  120.40000
   93    40    41    37.50000  110.70000
   93    40    47    50.00000  109.50000
   93    97    98    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    47    48    55.00000  108.50000
   47    40    41    35.00000  109.50000
   97    93    40    50.00000  109.50000
   86    80    84    65.00000  116.34900
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    69    74    50.00000  109.50000
   76    79    54    92.60000  111.55000
   76    79    58    92.60000  111.55000
   76    79    81    90.00000  108.56700
   79    81    82    45.00000  108.72000
   79    81    83    45.00000  108.72000
   79    81    90    75.00000  109.43000
   54    51    52    35.00000  109.50000
   54    51    53    50.00000  109.50000
   58    53    55    50.00000  109.50000
   58    79    54    92.60000  111.55000
   81    79    54    90.00000  108.56700
   81    79    58    90.00000  108.56700
   81    90    91    37.50000  110.70000
   81    90    92    37.50000  110.70000
   81    90    94    58.35000  112.70000
   83    81    82    33.00000  107.80000
   90    81    82    37.50000  110.70000
   90    81    83    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    99    58.35000  112.70000
   92    90    91    33.00000  107.80000
   94    90    91    37.50000  110.70000
   94    90    92    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111   114   115    37.50000  110.70000
  111   114   116    37.50000  110.70000
  111   114   117    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    37.50000  110.70000
  114   111   113    37.50000  110.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   70    60    61    37.50000  110.70000
   70    60    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    53    55    70.00000  112.02700
   59    53    58    85.00000  110.90400
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    59    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    49    50    55.00000  108.50000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.56750  1.0 1.0
   29    33    37    38  -0.07550 -1.0 2.0
   29    33    37    38   0.20000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    93   0.44750  1.0 1.0
   29    33    40    93  -0.17800 -1.0 2.0
   29    33    40    93   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    51   0.56750  1.0 1.0
   33    37    45    51  -0.07550 -1.0 2.0
   33    37    45    51   0.20000  1.0 3.0
   33    37    45    69   0.56750  1.0 1.0
   33    37    45    69  -0.07550 -1.0 2.0
   33    37    45    69   0.20000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    40    93   0.56750  1.0 1.0
   37    33    40    93  -0.07550 -1.0 2.0
   37    33    40    93   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    47   0.86500  1.0 1.0
   37    33    40    47  -0.17500 -1.0 2.0
   37    33    40    47   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    49   0.86500  1.0 1.0
   37    33    42    49  -0.17500 -1.0 2.0
   37    33    42    49   0.20800  1.0 3.0
   37    45    51    52   0.15000  1.0 3.0
   37    45    51    53   0.56750  1.0 1.0
   37    45    51    53  -0.07550 -1.0 2.0
   37    45    51    53   0.20000  1.0 3.0
   37    45    51    54   0.62750  1.0 1.0
   37    45    51    54  -0.30950 -1.0 2.0
   37    45    51    54   0.27300  1.0 3.0
   37    45    69    60   0.56750  1.0 1.0
   37    45    69    60  -0.07550 -1.0 2.0
   37    45    69    60   0.20000  1.0 3.0
   37    45    69    74   0.56750  1.0 1.0
   37    45    69    74  -0.07550 -1.0 2.0
   37    45    69    74   0.20000  1.0 3.0
   37    45    69    76   0.62750  1.0 1.0
   37    45    69    76  -0.30950 -1.0 2.0
   37    45    69    76   0.27300  1.0 3.0
   38    37    45    46   0.23400  1.0 3.0
   38    37    45    51   0.62750  1.0 1.0
   38    37    45    51  -0.30950 -1.0 2.0
   38    37    45    51   0.27300  1.0 3.0
   38    37    45    69   0.62750  1.0 1.0
   38    37    45    69  -0.30950 -1.0 2.0
   38    37    45    69   0.27300  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    51   0.15000  1.0 3.0
   39    37    45    69   0.15000  1.0 3.0
   45    51    53    55   0.56750  1.0 1.0
   45    51    53    55  -0.07550 -1.0 2.0
   45    51    53    55   0.20000  1.0 3.0
   45    51    53    58   0.62750  1.0 1.0
   45    51    53    58  -0.30950 -1.0 2.0
   45    51    53    58   0.27300  1.0 3.0
   45    51    53    59   0.34400  1.0 1.0
   45    51    53    59   0.09450 -1.0 2.0
   45    51    53    59   0.11100  1.0 3.0
   45    51    54    79   0.06250  1.0 1.0
   45    51    54    79  -0.01100 -1.0 2.0
   45    51    54    79   0.28050  1.0 3.0
   45    69    74    75   0.15000  1.0 3.0
   45    69    74    77   0.34400  1.0 1.0
   45    69    74    77   0.09450 -1.0 2.0
   45    69    74    77   0.11100  1.0 3.0
   45    69    74    93   0.56750  1.0 1.0
   45    69    74    93  -0.07550 -1.0 2.0
   45    69    74    93   0.20000  1.0 3.0
   45    69   -76    79   0.06250  1.0 1.0
   45    69   -76    79  -0.01100 -1.0 2.0
   45    69   -76    79   0.28050  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    54   0.23400  1.0 3.0
   46    45    69    60   0.15000  1.0 3.0
   46    45    69    74   0.15000  1.0 3.0
   46    45    69    76   0.23400  1.0 3.0
   51    45    69    60   0.56750  1.0 1.0
   51    45    69    60  -0.07550 -1.0 2.0
   51    45    69    60   0.20000  1.0 3.0
   51    45    69    74   0.56750  1.0 1.0
   51    45    69    74  -0.07550 -1.0 2.0
   51    45    69    74   0.20000  1.0 3.0
   51    45    69    76   0.62750  1.0 1.0
   51    45    69    76  -0.30950 -1.0 2.0
   51    45    69    76   0.27300  1.0 3.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53   -55    60   0.56750  1.0 1.0
   51    53   -55    60  -0.07550 -1.0 2.0
   51    53   -55    60   0.20000  1.0 3.0
   51    53   -58    79   0.06250  1.0 1.0
   51    53   -58    79  -0.01100 -1.0 2.0
   51    53   -58    79   0.28050  1.0 3.0
   51    53    59    62   0.09850  1.0 1.0
   51    53    59    62   0.15250 -1.0 2.0
   51    53    59    62  -0.50650  1.0 3.0
   51    53    59    65   0.46850  1.0 1.0
   51    53    59    65   0.08550 -1.0 2.0
   51    53    59    65   0.09800  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.23400  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    54    79   0.37050  1.0 3.0
   53    51   -54    79   0.06250  1.0 1.0
   53    51   -54    79  -0.01100 -1.0 2.0
   53    51   -54    79   0.28050  1.0 3.0
   53    55    60    61   0.15000  1.0 3.0
   53    55    60    69   0.56750  1.0 1.0
   53    55    60    69  -0.07550 -1.0 2.0
   53    55    60    69   0.20000  1.0 3.0
   53    55    60    70   0.56750  1.0 1.0
   53    55    60    70  -0.07550 -1.0 2.0
   53    55    60    70   0.20000  1.0 3.0
   53    59    62    63   7.00000 -1.0 2.0
   53    59    62    64   7.00000 -1.0 2.0
   53    59    65    66   0.34800  1.0 3.0
   53    59    65    67   0.34800  1.0 3.0
   53    59    65    68   0.34800  1.0 3.0
   55    53    58    79   0.06250  1.0 1.0
   55    53    58    79  -0.01100 -1.0 2.0
   55    53    58    79   0.28050  1.0 3.0
   55    53    59    62   0.09850  1.0 1.0
   55    53    59    62   0.15250 -1.0 2.0
   55    53    59    62  -0.50650  1.0 3.0
   55    53    59    65   0.46850  1.0 1.0
   55    53    59    65   0.08550 -1.0 2.0
   55    53    59    65   0.09800  1.0 3.0
   55    60   -69    45   0.56750  1.0 1.0
   55    60   -69    45  -0.07550 -1.0 2.0
   55    60   -69    45   0.20000  1.0 3.0
   55    60    69    74   0.56750  1.0 1.0
   55    60    69    74  -0.07550 -1.0 2.0
   55    60    69    74   0.20000  1.0 3.0
   55    60    69    76   0.62750  1.0 1.0
   55    60    69    76  -0.30950 -1.0 2.0
   55    60    69    76   0.27300  1.0 3.0
   55    60    70    71   0.15000  1.0 3.0
   55    60    70    72   0.15000  1.0 3.0
   55    60    70    73   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   56    55    60    70   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    69   0.15000  1.0 3.0
   57    55    60    70   0.15000  1.0 3.0
   60    69    74    75   0.15000  1.0 3.0
   60    69    74    77   0.34400  1.0 1.0
   60    69    74    77   0.09450 -1.0 2.0
   60    69    74    77   0.11100  1.0 3.0
   60    69    74    93   0.56750  1.0 1.0
   60    69    74    93  -0.07550 -1.0 2.0
   60    69    74    93   0.20000  1.0 3.0
   60    69    76    79   0.06250  1.0 1.0
   60    69    76    79  -0.01100 -1.0 2.0
   60    69    76    79   0.28050  1.0 3.0
   61    60    69    45   0.15000  1.0 3.0
   61    60    69    74   0.15000  1.0 3.0
   61    60    69    76   0.23400  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   61    60    70    73   0.15000  1.0 3.0
   69    45    51    52   0.15000  1.0 3.0
   69    45   -51    53   0.56750  1.0 1.0
   69    45   -51    53  -0.07550 -1.0 2.0
   69    45   -51    53   0.20000  1.0 3.0
   69    45    51    54   0.62750  1.0 1.0
   69    45    51    54  -0.30950 -1.0 2.0
   69    45    51    54   0.27300  1.0 3.0
   69    60    70    71   0.15000  1.0 3.0
   69    60    70    72   0.15000  1.0 3.0
   69    60    70    73   0.15000  1.0 3.0
   69    74    77    78   0.00000  1.0 1.0
   69    74    77    80   0.09850  1.0 1.0
   69    74    77    80   0.15250 -1.0 2.0
   69    74    77    80  -0.50650  1.0 3.0
   69    74    93    84  -0.95700  1.0 1.0
   69    74    93    84  -0.18200 -1.0 2.0
   69    74    93    84   0.29450  1.0 3.0
   69    74    93    40   0.56750  1.0 1.0
   69    74    93    40  -0.07550 -1.0 2.0
   69    74    93    40   0.20000  1.0 3.0
   69    74    93    97   0.86500  1.0 1.0
   69    74    93    97  -0.17500 -1.0 2.0
   69    74    93    97   0.20800  1.0 3.0
   69    76   -79    54  -0.53350  1.0 1.0
   69    76   -79    54  -0.78350 -1.0 2.0
   69    76   -79    54   0.33750  1.0 3.0
   69    76    79    58  -0.53350  1.0 1.0
   69    76    79    58  -0.78350 -1.0 2.0
   69    76    79    58   0.33750  1.0 3.0
   69    76    79    81   0.06250  1.0 1.0
   69    76    79    81  -0.01100 -1.0 2.0
   69    76    79    81   0.28050  1.0 3.0
   74    69    76    79   0.06250  1.0 1.0
   74    69    76    79  -0.01100 -1.0 2.0
   74    69    76    79   0.28050  1.0 3.0
   74    77   -80    84   7.00000 -1.0 2.0
   74    77    80    86   7.00000 -1.0 2.0
   74    93    40    33   0.56750  1.0 1.0
   74    93    40    33  -0.07550 -1.0 2.0
   74    93    40    33   0.20000  1.0 3.0
   74    93    40    41   0.15000  1.0 3.0
   74    93    40    47   0.86500  1.0 1.0
   74    93    40    47  -0.17500 -1.0 2.0
   74    93    40    47   0.20800  1.0 3.0
   74    93    97    98  -0.11600  1.0 1.0
   74    93    97    98  -0.09450 -1.0 2.0
   74    93    97    98   0.21250  1.0 3.0
   75    74    77    78   0.33100  1.0 3.0
   75    74    77    80   0.00000  1.0 1.0
   75    74    93    84  -0.11250  1.0 3.0
   75    74    93    40   0.15000  1.0 3.0
   75    74    93    97   0.23400  1.0 3.0
   77    74   -93    84  -0.98800  1.0 1.0
   77    74   -93    84   0.48800 -1.0 2.0
   77    74   -93    84   0.76800  1.0 3.0
   77    74    93    40   0.34400  1.0 1.0
   77    74    93    40   0.09450 -1.0 2.0
   77    74    93    40   0.11100  1.0 3.0
   77    74    93    97   1.05650  1.0 1.0
   77    74    93    97   0.15600 -1.0 2.0
   77    74    93    97   0.53150  1.0 3.0
   77    80    84    85   1.00000 -1.0 2.0
   77    80   -84    93  -0.33500  1.0 1.0
   77    80   -84    93   1.06600 -1.0 2.0
   77    80   -84    93  -0.14000  1.0 3.0
   77    80    86    87   0.00000  1.0 1.0
   77    80    86    88   0.00000  1.0 1.0
   77    80    86    89   0.00000  1.0 1.0
   78    77    80    84   7.00000 -1.0 2.0
   78    77    80    86   7.00000 -1.0 2.0
   80    84   -93    74   0.65300  1.0 1.0
   80    84   -93    74  -0.03850 -1.0 2.0
   80    84   -93    74   0.33900  1.0 3.0
   80    84    93    40   0.65300  1.0 1.0
   80    84    93    40  -0.03850 -1.0 2.0
   80    84    93    40   0.33900  1.0 3.0
   80    84    93    97   0.65300  1.0 1.0
   80    84    93    97  -0.03850 -1.0 2.0
   80    84    93    97   0.33900  1.0 3.0
   84    80    86    87   0.15000  1.0 3.0
   84    80    86    88   0.15000  1.0 3.0
   84    80    86    89   0.15000  1.0 3.0
   84    93    40    33  -0.95700  1.0 1.0
   84    93    40    33  -0.18200 -1.0 2.0
   84    93    40    33   0.29450  1.0 3.0
   84    93    40    41  -0.11250  1.0 3.0
   84    93    40    47  -0.09450  1.0 1.0
   84    93    40    47  -1.12950 -1.0 2.0
   84    93    40    47   0.54000  1.0 3.0
   84    93    97    98   0.91850  1.0 1.0
   84    93    97    98   0.57950  1.0 3.0
   85    84    93    74   0.30150 -1.0 2.0
   85    84    93    40   0.30150 -1.0 2.0
   85    84    93    97   0.30150 -1.0 2.0
   93    74    77    78   0.00000  1.0 1.0
   93    74   -77    80   0.09850  1.0 1.0
   93    74   -77    80   0.15250 -1.0 2.0
   93    74   -77    80  -0.50650  1.0 3.0
   93    40    47    48  -0.11600  1.0 1.0
   93    40    47    48  -0.09450 -1.0 2.0
   93    40    47    48   0.21250  1.0 3.0
   40    33    37    38   0.62750  1.0 1.0
   40    33    37    38  -0.30950 -1.0 2.0
   40    33    37    38   0.27300  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    49   0.86500  1.0 1.0
   40    33    42    49  -0.17500 -1.0 2.0
   40    33    42    49   0.20800  1.0 3.0
   40    93    97    98  -0.11600  1.0 1.0
   40    93    97    98  -0.09450 -1.0 2.0
   40    93    97    98   0.21250  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   97    93    40    33   0.86500  1.0 1.0
   97    93    40    33  -0.17500 -1.0 2.0
   97    93    40    33   0.20800  1.0 3.0
   97    93    40    41   0.23400  1.0 3.0
   97    93    40    47   3.75450  1.0 1.0
   86    80    84    85  -0.64400  1.0 1.0
   86    80    84    85   0.26850 -1.0 2.0
   86    80    84    93   0.25700  1.0 1.0
   86    80    84    93   0.66200 -1.0 2.0
   86    80    84    93   0.04450  1.0 3.0
   76    69    74    75   0.23400  1.0 3.0
   76    69    74    77   0.61850  1.0 1.0
   76    69    74    77  -0.22750 -1.0 2.0
   76    69    74    77   0.15300  1.0 3.0
   76    69    74    93   0.62750  1.0 1.0
   76    69    74    93  -0.30950 -1.0 2.0
   76    69    74    93   0.27300  1.0 3.0
   76    79   -54    51  -0.53350  1.0 1.0
   76    79   -54    51  -0.78350 -1.0 2.0
   76    79   -54    51   0.33750  1.0 3.0
   76    79    58    53  -0.53350  1.0 1.0
   76    79    58    53  -0.78350 -1.0 2.0
   76    79    58    53   0.33750  1.0 3.0
   76    79    81    82   0.23400  1.0 3.0
   76    79    81    83   0.23400  1.0 3.0
   76    79    81    90   0.62750  1.0 1.0
   76    79    81    90  -0.30950 -1.0 2.0
   76    79    81    90   0.27300  1.0 3.0
   79    81    90    91   0.15000  1.0 3.0
   79    81    90    92   0.15000  1.0 3.0
   79    81    90    94   3.97050  1.0 1.0
   54    51    53    55   0.62750  1.0 1.0
   54    51    53    55  -0.30950 -1.0 2.0
   54    51    53    55   0.27300  1.0 3.0
   54    51   -53    58   1.11900  1.0 1.0
   54    51   -53    58  -1.16350 -1.0 2.0
   54    51   -53    58  -0.34150  1.0 3.0
   54    51    53    59   0.61850  1.0 1.0
   54    51    53    59  -0.22750 -1.0 2.0
   54    51    53    59   0.15300  1.0 3.0
   54    79   -58    53  -0.53350  1.0 1.0
   54    79   -58    53  -0.78350 -1.0 2.0
   54    79   -58    53   0.33750  1.0 3.0
   54    79    81    82   0.23400  1.0 3.0
   54    79    81    83   0.23400  1.0 3.0
   54    79    81    90   0.62750  1.0 1.0
   54    79    81    90  -0.30950 -1.0 2.0
   54    79    81    90   0.27300  1.0 3.0
   58    53    55    56   0.23400  1.0 3.0
   58    53    55    57   0.23400  1.0 3.0
   58    53    55    60   0.62750  1.0 1.0
   58    53    55    60  -0.30950 -1.0 2.0
   58    53    55    60   0.27300  1.0 3.0
   58    53    59    62   0.39000  1.0 1.0
   58    53    59    62  -0.05800 -1.0 2.0
   58    53    59    62  -0.55150  1.0 3.0
   58    53    59    65   0.09700  1.0 1.0
   58    53    59    65   0.15600 -1.0 2.0
   58    53    59    65  -0.50800  1.0 3.0
   58    79   -54    51  -0.53350  1.0 1.0
   58    79   -54    51  -0.78350 -1.0 2.0
   58    79   -54    51   0.33750  1.0 3.0
   58    79    81    82   0.23400  1.0 3.0
   58    79    81    83   0.23400  1.0 3.0
   58    79    81    90   0.62750  1.0 1.0
   58    79    81    90  -0.30950 -1.0 2.0
   58    79    81    90   0.27300  1.0 3.0
   81    79    54    51   0.06250  1.0 1.0
   81    79    54    51  -0.01100 -1.0 2.0
   81    79    54    51   0.28050  1.0 3.0
   81    79    58    53   0.06250  1.0 1.0
   81    79    58    53  -0.01100 -1.0 2.0
   81    79    58    53   0.28050  1.0 3.0
   81    90    94    95   0.15000  1.0 3.0
   81    90    94    96   0.15000  1.0 3.0
   81    90    94    99   0.56750  1.0 1.0
   81    90    94    99  -0.07550 -1.0 2.0
   81    90    94    99   0.20000  1.0 3.0
   82    81    90    91   0.15000  1.0 3.0
   82    81    90    92   0.15000  1.0 3.0
   82    81    90    94   0.15000  1.0 3.0
   83    81    90    91   0.15000  1.0 3.0
   83    81    90    92   0.15000  1.0 3.0
   83    81    90    94   0.15000  1.0 3.0
   90    94    99   100   0.15000  1.0 3.0
   90    94    99   101   0.15000  1.0 3.0
   90    94    99   102   0.56750  1.0 1.0
   90    94    99   102  -0.07550 -1.0 2.0
   90    94    99   102   0.20000  1.0 3.0
   91    90    94    95   0.15000  1.0 3.0
   91    90    94    96   0.15000  1.0 3.0
   91    90    94    99   0.15000  1.0 3.0
   92    90    94    95   0.15000  1.0 3.0
   92    90    94    96   0.15000  1.0 3.0
   92    90    94    99   0.15000  1.0 3.0
   94    99   102   103   0.15000  1.0 3.0
   94    99   102   104   0.15000  1.0 3.0
   94    99   102   105   0.56750  1.0 1.0
   94    99   102   105  -0.07550 -1.0 2.0
   94    99   102   105   0.20000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   102   0.15000  1.0 3.0
   99   102   105   106   0.15000  1.0 3.0
   99   102   105   107   0.15000  1.0 3.0
   99   102   105   108   0.56750  1.0 1.0
   99   102   105   108  -0.07550 -1.0 2.0
   99   102   105   108   0.20000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   105   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   105   0.15000  1.0 3.0
  102   105   108   109   0.15000  1.0 3.0
  102   105   108   110   0.15000  1.0 3.0
  102   105   108   111   0.56750  1.0 1.0
  102   105   108   111  -0.07550 -1.0 2.0
  102   105   108   111   0.20000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   108   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   108   0.15000  1.0 3.0
  105   108   111   112   0.15000  1.0 3.0
  105   108   111   113   0.15000  1.0 3.0
  105   108   111   114   0.56750  1.0 1.0
  105   108   111   114  -0.07550 -1.0 2.0
  105   108   111   114   0.20000  1.0 3.0
  106   105   108   109   0.15000  1.0 3.0
  106   105   108   110   0.15000  1.0 3.0
  106   105   108   111   0.15000  1.0 3.0
  107   105   108   109   0.15000  1.0 3.0
  107   105   108   110   0.15000  1.0 3.0
  107   105   108   111   0.15000  1.0 3.0
  108   111   114   115   0.15000  1.0 3.0
  108   111   114   116   0.15000  1.0 3.0
  108   111   114   117   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
  112   111   114   115   0.15000  1.0 3.0
  112   111   114   116   0.15000  1.0 3.0
  112   111   114   117   0.15000  1.0 3.0
  113   111   114   115   0.15000  1.0 3.0
  113   111   114   116   0.15000  1.0 3.0
  113   111   114   117   0.15000  1.0 3.0
   70    60    69    45   0.56750  1.0 1.0
   70    60    69    45  -0.07550 -1.0 2.0
   70    60    69    45   0.20000  1.0 3.0
   70    60    69    74   0.56750  1.0 1.0
   70    60    69    74  -0.07550 -1.0 2.0
   70    60    69    74   0.20000  1.0 3.0
   70    60    69    76   0.62750  1.0 1.0
   70    60    69    76  -0.30950 -1.0 2.0
   70    60    69    76   0.27300  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    60   0.34400  1.0 1.0
   59    53    55    60   0.09450 -1.0 2.0
   59    53    55    60   0.11100  1.0 3.0
   59    53    58    79  -0.77900  1.0 1.0
   59    53    58    79  -0.36900 -1.0 2.0
   59    53    58    79   0.40400  1.0 3.0
   62    59    65    66   0.00000  1.0 1.0
   62    59    65    67   0.00000  1.0 1.0
   62    59    65    68   0.00000  1.0 1.0
   65    59    62    63   7.00000 -1.0 2.0
   65    59    62    64   7.00000 -1.0 2.0
   42    33    37    38   0.62750  1.0 1.0
   42    33    37    38  -0.30950 -1.0 2.0
   42    33    37    38   0.27300  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    93   0.56750  1.0 1.0
   42    33    40    93  -0.07550 -1.0 2.0
   42    33    40    93   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    47   0.86500  1.0 1.0
   42    33    40    47  -0.17500 -1.0 2.0
   42    33    40    47   0.20800  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   44    42    49    50   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   74    78    77    80   1.10000 -1.0 2.0
   84    86    80    77   1.10000 -1.0 2.0
   80    93    84    85  10.50000 -1.0 2.0
   53    65    59    62  15.00000 -1.0 2.0
   63    64    62    59  15.00000 -1.0 2.0
END
