* LIGAND DATABASE FILE (OPLS2005)
*
001     127   129    236    364     699
    1     0 S   NP   _N1_     1    28.32420    99.06099   -21.38804
    2     1 S   H    _HN1     2     1.02834    37.68893   129.43892
    3     1 S   H    _H1_     3     1.02776   102.79012  -127.73662
    4     1 S   H    _H2_     4     1.02957    73.66420   -22.08482
    5     1 S   CT   _CA1     5     1.50112   140.35532    80.32089
    6     5 S   HC   _HA1     6     1.09584   105.20242    88.69662
    7     5 S   CO3  _C1_     7     1.53778   112.46061   -31.39255
    8     7 S   O2Z  _O11     8     1.26363   114.98285   -43.20748
    9     7 S   O2Z  _O12     9     1.26245   114.92048   135.90267
   10     5 S   CT   _CB1    10     1.53106   107.42186  -153.48484
   11    10 S   HC   HB11    11     1.09823   109.27593   -51.81861
   12    10 S   HC   HB12    12     1.09813   110.46513    64.76270
   13    10 S   CT   _CG1    13     1.52950   112.57487  -172.93620
   14    13 S   HC   HG11    14     1.09557   110.27138   -66.87441
   15    13 S   HC   HG12    15     1.09667   109.92653    52.30391
   16    13 S   C    _CD1    16     1.51787   112.50922   173.01478
   17    16 S   O    _OE1    17     1.22740   123.30590     5.29572
   18    16 S   N    _N2_    18     1.38532   111.62955  -174.95414
   19    18 S   H    _HN2    19     1.01494   118.95482     4.43800
   20    18 S   CT1  _CA2    20     1.45805   122.97398   177.58995
   21    20 S   HC   _HA2    21     1.09716   108.91316    25.78321
   22    20 S   C    _C2_    22     1.52925   106.72767   -91.36806
   23    22 S   O    _O2_    23     1.23003   122.98136   -28.92004
   24    20 S   CT   _CB2    32     1.53210   112.28893   149.17644
   25    24 S   HC   HB21    33     1.09350   109.91975    55.26777
   26    24 S   HC   HB22    34     1.09534   109.68125   173.69472
   27    22 S   N    _N3_    24     1.38492   112.64790   153.74022
   28    27 S   H    _HN3    25     1.01658   120.35222    -1.43190
   29    24 S   S    _SG2    35     1.83290   110.89871   -66.69777
   30    27 S   CT   _CA3    26     1.45355   122.41921   178.69494
   31    30 S   HC   HA31    27     1.09568   107.63355   -59.64010
   32    30 S   HC   HA32    28     1.09571   107.75549    56.65594
   33    29 S   CT   _C18    36     1.88345   102.31922   165.19990
   34    33 S   OM   _O37    37     1.33116   107.16712    48.80372
   35    30 S   CO3  _C3_    29     1.52883   114.41556   178.57125
   36    35 S   O2Z  _O31    30     1.26327   116.10417    -0.10653
   37    35 S   O2Z  _O32    31     1.26455   114.39648   179.92087
   38    33 S   CT   _C19    38     1.56715   111.80646   -67.93616
   39    38 S   HC   _H3_    39     1.10428   108.14688    85.43383
   40    38 S   CO4  _C20    40     1.53197   114.08495  -160.22595
   41    40 S   O    _O35    41     1.23436   119.66765   177.32482
   42    38 S   CO4  _C21   116     1.54486   116.60997   -31.49993
   43    42 S   O    _O36   117     1.22986   122.65467   -52.15647
   44    40 S   CM   _C15    42     1.49876   120.84472    -2.92710
   45    42 S   CT   _C22   118     1.52508   116.03903   130.92725
   46    45 S   HC   _H16   119     1.09525   108.22998    59.27090
   47    45 S   HC   _H17   120     1.09408   108.20490   -57.98571
   48    44 S   CM   _C16    43     1.34979   118.19760    25.40562
   49    44 S   CT   _C14    55     1.51560   116.45162  -158.56660
   50    49 S   HC   _H14    56     1.09705   111.73075   -19.93814
   51    49 S   HC   _H15    57     1.09699   109.91768  -133.34258
   52    45 S   CT   _C23   121     1.52633   112.44194  -179.31472
   53    52 S   HC   _H18   122     1.09653   109.80384   -63.36217
   54    52 S   HC   _H19   123     1.09535   110.11306    53.82032
   55    33 S   CT   _C17    44     1.60420   111.28857   166.51775
   56    48 S   OH   _O38    53     1.38589   122.37944   174.95904
   57    56 S   HO   _H29    54     0.97088   109.74702     4.62330
   58    49 S   CA   _C12    58     1.52146   112.51998   102.38364
   59    52 S   CT   _C24   124     1.51938   111.60694   175.16945
   60    59 S   HC   _H20   125     1.09480   110.94989   -60.72039
   61    59 S   HC   _H21   126     1.09452   110.25026   179.65001
   62    59 S   HC   _H22   127     1.09459   111.01432    59.83424
   63    55 S   CT   _C25    45     1.56527   111.60999   -60.53682
   64    63 S   HC   _H23    46     1.09454   111.96498    58.14321
   65    63 S   HC   _H24    47     1.09582   112.20263   -63.58826
   66    63 S   HC   _H25    48     1.09730   111.50605   176.79827
   67    55 S   CT   _C26    49     1.54957   113.99490    58.95607
   68    67 S   HC   _H26    50     1.09381   112.37775   -54.97326
   69    67 S   HC   _H27    51     1.09800   110.90544  -174.16850
   70    67 S   HC   _H28    52     1.09350   112.38893    67.81708
   71    58 S   CA   _C13    59     1.40360   121.05545   100.71523
   72    71 S   CA   _C8_    60     1.40337   120.96096  -175.86507
   73    71 S   OH   _O34   114     1.37333   117.56359     2.65756
   74    73 S   HO   _H13   115     0.97366   109.32206   168.74376
   75    72 S   CA   _C9_    61     1.40302   119.70157    -2.03047
   76    72 S   CO4  _C7_   102     1.48667   119.19364   177.27969
   77    76 S   O    _O33   103     1.22872   118.55497    46.69499
   78    75 S   CA   _C10    62     1.40762   121.04985     0.10279
   79    75 S   OH   _O44   100     1.37050   117.92197  -177.84215
   80    79 S   HO   _H46   101     0.97179   109.63452  -152.58114
   81    76 S   CT   _C6_   104     1.51798   118.59413  -131.56493
   82    81 S   HC   _H11   105     1.09585   109.59201    21.55728
   83    81 S   HC   _H12   106     1.09533   108.29655   -96.83230
   84    58 S   CA   _C11    63     1.40887   120.79364   -76.85542
   85    78 S   CT   _C27    66     1.51957   121.42173  -177.23282
   86    85 S   HC   _H31    67     1.09783   109.11383    33.34212
   87    85 S   HC   _H32    68     1.09760   108.59584   145.47951
   88    81 S   CT   _C5_   107     1.52741   111.09879   142.19844
   89    88 S   HC   _H9_   108     1.09651   110.06856    61.03256
   90    88 S   HC   _H10   109     1.09667   109.86350   -56.21646
   91    84 S   OH   _O39    64     1.37213   116.94390    -2.99794
   92    91 S   HO   _H30    65     0.97183   109.59199   148.87725
   93    85 S   CT   _C28    69     1.54007   112.17913   -90.76886
   94    93 S   HC   _H4_    70     1.10028   111.10492    -1.44834
   95    88 S   CT   _C4_   110     1.51989   111.50731  -177.68506
   96    95 S   HC   _H6_   111     1.09469   111.00971    60.47663
   97    95 S   HC   _H7_   112     1.09468   110.98181   -60.04313
   98    95 S   HC   _H8_   113     1.09448   110.26768  -179.79442
   99    93 S   CO4  _C29    71     1.51260   109.93660   113.93274
  100    99 S   O    _O40    72     1.23431   119.35477   -76.26151
  101    99 S   CT   _C30    73     1.51308   118.83326    96.04093
  102   101 S   HC   _H5_    74     1.09726   105.74581   -77.69071
  103   101 S   CO4  _C31    75     1.51603   112.89104    38.87744
  104   103 S   O    _O41    76     1.23256   120.93720   139.21309
  105   101 S   CO4  _C36    88     1.52730   112.18730   165.73635
  106   105 S   O    _O43    89     1.23107   121.27671   -50.63234
  107   103 S   CT   _C32    77     1.52710   117.24525   -46.19017
  108   105 S   CT   _C37    90     1.52017   116.25347   130.94305
  109   108 S   HC   _H39    91     1.09567   107.91591    56.84971
  110   108 S   HC   _H40    92     1.09569   107.84701   -60.35355
  111    93 S   CO4  _C33    78     1.51585   110.29045  -116.88534
  112   111 S   O    _O42    79     1.23553   118.83053    75.31035
  113   107 S   CT   _C34    80     1.53320   108.64821   -77.23878
  114   113 S   HC   _H33    81     1.09609   111.24839  -178.87326
  115   113 S   HC   _H34    82     1.09526   111.86343    61.37428
  116   113 S   HC   _H35    83     1.09608   111.19150   -58.36303
  117   107 S   CT   _C35    84     1.54007   109.02525   163.98639
  118   117 S   HC   _H36    85     1.09617   111.71778   178.14280
  119   117 S   HC   _H37    86     1.09619   111.65608    58.03859
  120   117 S   HC   _H38    87     1.09657   110.91852   -61.94299
  121   108 S   CT   _C38    93     1.52567   112.54960   178.28024
  122   121 S   HC   _H41    94     1.09657   109.94711   -58.63162
  123   121 S   HC   _H42    95     1.09657   109.95588    58.67292
  124   121 S   CT   _C39    96     1.51989   111.49882  -179.97202
  125   124 S   HC   _H43    97     1.09468   110.99658   -60.25990
  126   124 S   HC   _H44    98     1.09449   110.26855   179.98022
  127   124 S   HC   _H45    99     1.09470   110.99737    60.25872
  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  10   5   4   3
  20   8   2   1   1  15   7  12   4  10   4  12   9   5   4  15
  11   4   3   6   5   4  10   3   1  11   3   2   1   1   7   3
   2   1   3   2   1   1  11  14   4   1  12  10   4  12   3   1
   9   5   4   6  11   5   4   6   5   4   1   1  12   6   3   2
   1   1  11   5  13   6  15   5   9   4  10   9   5   4   9   2
   7   3   2   1   3   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    55    63    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    55    63    64    65    66    67    68    69    70    56    42    43    45  
   38    39    40    48    55    63    67    42  
   36    37  
   37  
    0  
   39    40    41    44    48    55    63    67    49    42    43    45    46    47    52  
   40    41    44    55    42    43    45  
   41    44    48    55    56    49    50    51    58    42    43    45  
   44    48    49    42  
   43    45    46    47    52    53    54    59    44    55  
   45    46    47    52  
   48    55    63    67    56    57    49    50    51    58    71    84  
   46    47    52    53    54    59    60    61    62  
   47    52    53    54    59  
   52    53    54    59  
   55    63    64    65    66    67    68    69    70    56    57    49    50    51    58  
   50    51    58    71    72    78    84    91    73    55    56  
   51    58    71    84  
   58    71    84  
   53    54    59    60    61    62  
   54    59    60    61    62  
   59    60    61    62  
   63    64    65    66    67    68    69    70    56    57  
   57    63    67  
    0  
   71    72    75    78    84    91    92    85    76    73    74  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    75    78    84    91    79    76    77    81    73    74  
   75    78    84    85    79    80    76    77    81    82    83    88    73    74  
   74    75    76    84  
    0  
   78    84    91    85    86    87    93    79    80    76    77    81  
   77    81    82    83    88    89    90    95    78    79  
   81    82    83    88  
   84    91    92    85    86    87    93    94    99   111    79    80  
   80    84    85  
    0  
   82    83    88    89    90    95    96    97    98  
   83    88    89    90    95  
   88    89    90    95  
   91    92    85    86    87    93  
   86    87    93    94    99   100   101   107   111   112    91  
   87    93    94    99   111  
   93    94    99   111  
   89    90    95    96    97    98  
   90    95    96    97    98  
   95    96    97    98  
   92  
    0  
   94    99   100   101   102   103   107   111   112   113   117   105  
   99   100   101   107   111   112  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   107   111   112   105   106   108  
  101   102   103   111   105  
  102   103   104   107   111   113   117   105   106   108   109   110   121  
  103   104   107   105   106   108  
  104   107   111   112   113   114   115   116   117   118   119   120   105   106   108  
  107   111   113   117   105  
  106   108   109   110   121   122   123   124   107  
  108   109   110   121  
  111   112   113   114   115   116   117   118   119   120  
  109   110   121   122   123   124   125   126   127  
  110   121   122   123   124  
  121   122   123   124  
  112   113   114   115   116   117   118   119   120  
  113   117  
  114   115   116   117   118   119   120  
  115   116   117  
  116   117  
  117  
  118   119   120  
  119   120  
  120  
    0  
  122   123   124   125   126   127  
  123   124   125   126   127  
  124   125   126   127  
  125   126   127  
  126   127  
  127  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  121   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  124   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  125   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  126   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  127   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    48   549.000  1.340
   44    49   317.000  1.510
   48    55   317.000  1.510
   48    56   510.000  1.338
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   317.000  1.510
   58    71   469.000  1.400
   58    84   469.000  1.400
   71    72   469.000  1.400
   71    73   450.000  1.364
   72    75   469.000  1.400
   72    76   310.000  1.470
   75    78   469.000  1.400
   75    79   450.000  1.364
   78    84   469.000  1.400
   78    85   317.000  1.510
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   268.000  1.529
   93    94   340.000  1.090
   93    99   317.000  1.522
   93   111   317.000  1.522
   99   100   570.000  1.229
   99   101   317.000  1.522
  101   102   340.000  1.090
  101   103   317.000  1.522
  101   105   317.000  1.522
  103   104   570.000  1.229
  103   107   317.000  1.522
  107   111   317.000  1.522
  107   113   268.000  1.529
  107   117   268.000  1.529
  111   112   570.000  1.229
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  117   118   340.000  1.090
  117   119   340.000  1.090
  117   120   340.000  1.090
  105   106   570.000  1.229
  105   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   121   268.000  1.529
  121   122   340.000  1.090
  121   123   340.000  1.090
  121   124   268.000  1.529
  124   125   340.000  1.090
  124   126   340.000  1.090
  124   127   340.000  1.090
   79    80   553.000  0.945
   76    77   570.000  1.229
   76    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   73    74   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    55    48    70.00000  112.02700
   33    55    63    58.35000  112.70000
   33    55    67    58.35000  112.70000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    65.00000  118.62400
   38    42    43    80.00000  120.40000
   38    42    45    70.00000  116.00000
   40    38    39    35.00000  109.50000
   40    44    48    65.00000  118.96000
   40    44    49    65.00000  116.34900
   44    40    41    80.00000  123.72100
   44    48    55    70.00000  124.00000
   44    48    56    80.00000  121.38400
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    58    70.00000  112.99600
   48    55    63    70.00000  112.02700
   48    55    67    70.00000  112.02700
   48    56    57    70.00000  107.45700
   55    33    34    50.00000  109.50000
   55    33    38    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    55    90.00000  109.34000
   49    44    48    70.00000  124.00000
   49    58    71    70.00000  120.00000
   49    58    84    70.00000  120.00000
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    71    72    63.00000  120.00000
   58    71    73    70.00000  120.00000
   58    84    78    63.00000  120.00000
   58    84    91    70.00000  120.00000
   71    72    75    63.00000  120.00000
   71    72    76    60.00000  119.52600
   71    73    74    35.00000  113.00000
   72    75    78    63.00000  120.00000
   72    75    79    70.00000  120.00000
   72    76    77    75.00000  123.78400
   72    76    81    65.00000  115.47100
   75    78    84    63.00000  120.00000
   75    78    85    70.00000  120.00000
   75    79    80    35.00000  113.00000
   78    84    91    70.00000  120.00000
   78    85    86    35.00000  109.50000
   78    85    87    35.00000  109.50000
   78    85    93    70.00000  112.17500
   84    58    71    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    78    84    70.00000  120.00000
   85    93    94    37.50000  110.70000
   85    93    99    63.00000  111.10000
   85    93   111    63.00000  111.10000
   87    85    86    33.00000  107.80000
   93    85    86    37.50000  110.70000
   93    85    87    37.50000  110.70000
   93    99   100    80.00000  120.40000
   93    99   101    70.00000  116.00000
   93   111   107    70.00000  116.00000
   93   111   112    80.00000  120.40000
   99    93    94    35.00000  109.50000
   99   101   102    35.00000  109.50000
   99   101   103    75.00000  107.99600
   99   101   105    75.00000  107.99600
  101    99   100    80.00000  120.40000
  101   103   104    80.00000  120.40000
  101   103   107    70.00000  116.00000
  101   105   106    80.00000  120.40000
  101   105   108    70.00000  116.00000
  103   101   102    35.00000  109.50000
  103   107   111    75.00000  107.99600
  103   107   113    63.00000  111.10000
  103   107   117    63.00000  111.10000
  107   103   104    80.00000  120.40000
  107   111   112    80.00000  120.40000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  107   117   118    37.50000  110.70000
  107   117   119    37.50000  110.70000
  107   117   120    37.50000  110.70000
  111    93    94    35.00000  109.50000
  111    93    99    75.00000  107.99600
  113   107   111    63.00000  111.10000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  117   107   111    63.00000  111.10000
  117   107   113    58.35000  112.70000
  119   117   118    33.00000  107.80000
  120   117   118    33.00000  107.80000
  120   117   119    33.00000  107.80000
  105   101   102    35.00000  109.50000
  105   101   103    75.00000  107.99600
  105   108   109    35.00000  109.50000
  105   108   110    35.00000  109.50000
  105   108   121    63.00000  111.10000
  108   105   106    80.00000  120.40000
  108   121   122    37.50000  110.70000
  108   121   123    37.50000  110.70000
  108   121   124    58.35000  112.70000
  110   108   109    33.00000  107.80000
  121   108   109    37.50000  110.70000
  121   108   110    37.50000  110.70000
  121   124   125    37.50000  110.70000
  121   124   126    37.50000  110.70000
  121   124   127    37.50000  110.70000
  123   121   122    33.00000  107.80000
  124   121   122    37.50000  110.70000
  124   121   123    37.50000  110.70000
  126   124   125    33.00000  107.80000
  127   124   125    33.00000  107.80000
  127   124   126    33.00000  107.80000
   79    75    78    70.00000  120.00000
   76    72    75    60.00000  119.52600
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    88    63.00000  111.10000
   81    76    77    80.00000  120.40000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    95    58.35000  112.70000
   83    81    82    33.00000  107.80000
   88    81    82    37.50000  110.70000
   88    81    83    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    37.50000  110.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   73    71    72    70.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    40    75.00000  107.99600
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    52    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    59    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    63   0.44750  1.0 1.0
   29    33    55    63  -0.17800 -1.0 2.0
   29    33    55    63   0.20200  1.0 3.0
   29    33    55    67   0.44750  1.0 1.0
   29    33    55    67  -0.17800 -1.0 2.0
   29    33    55    67   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   0.65300  1.0 1.0
   33    38    40    44  -0.03850 -1.0 2.0
   33    38    40    44   0.33900  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    45   0.60050  1.0 1.0
   33    38    42    45   0.05600 -1.0 2.0
   33    38    42    45   0.26150  1.0 3.0
   33    55    63    64   0.15000  1.0 3.0
   33    55    63    65   0.15000  1.0 3.0
   33    55    63    66   0.15000  1.0 3.0
   33    55    67    68   0.15000  1.0 3.0
   33    55    67    69   0.15000  1.0 3.0
   33    55    67    70   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    55    48   0.61850  1.0 1.0
   34    33    55    48  -0.22750 -1.0 2.0
   34    33    55    48   0.15300  1.0 3.0
   34    33    55    63   0.62750  1.0 1.0
   34    33    55    63  -0.30950 -1.0 2.0
   34    33    55    63   0.27300  1.0 3.0
   34    33    55    67   0.62750  1.0 1.0
   34    33    55    67  -0.30950 -1.0 2.0
   34    33    55    67   0.27300  1.0 3.0
   38    33    55    48   0.34400  1.0 1.0
   38    33    55    48   0.09450 -1.0 2.0
   38    33    55    48   0.11100  1.0 3.0
   38    33    55    63   0.56750  1.0 1.0
   38    33    55    63  -0.07550 -1.0 2.0
   38    33    55    63   0.20000  1.0 3.0
   38    33    55    67   0.56750  1.0 1.0
   38    33    55    67  -0.07550 -1.0 2.0
   38    33    55    67   0.20000  1.0 3.0
   38    40   -44    48  -0.33500  1.0 1.0
   38    40   -44    48   1.06600 -1.0 2.0
   38    40   -44    48  -0.14000  1.0 3.0
   38    40    44    49   0.25700  1.0 1.0
   38    40    44    49   0.66200 -1.0 2.0
   38    40    44    49   0.04450  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    52   0.60050  1.0 1.0
   38    42    45    52   0.05600 -1.0 2.0
   38    42    45    52   0.26150  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    45   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    45   0.65300  1.0 1.0
   40    38    42    45  -0.03850 -1.0 2.0
   40    38    42    45   0.33900  1.0 3.0
   40    44    48    55   7.00000 -1.0 2.0
   40    44    48    56   7.00000 -1.0 2.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    58   0.09700  1.0 1.0
   40    44    49    58   0.15600 -1.0 2.0
   40    44    49    58  -0.50800  1.0 3.0
   41    40    44    48   1.00000 -1.0 2.0
   41    40    44    49  -0.64400  1.0 1.0
   41    40    44    49   0.26850 -1.0 2.0
   44    48   -55    33   0.09850  1.0 1.0
   44    48   -55    33   0.15250 -1.0 2.0
   44    48   -55    33  -0.50650  1.0 3.0
   44    48    55    63   0.09850  1.0 1.0
   44    48    55    63   0.15250 -1.0 2.0
   44    48    55    63  -0.50650  1.0 3.0
   44    48    55    67   0.09850  1.0 1.0
   44    48    55    67   0.15250 -1.0 2.0
   44    48    55    67  -0.50650  1.0 3.0
   44    48    56    57  -0.66100  1.0 1.0
   44    48    56    57   1.20850 -1.0 2.0
   44    48    56    57  -0.36000  1.0 3.0
   44    49    58    71   0.18050 -1.0 2.0
   44    49    58    84   0.18050 -1.0 2.0
   48    44    49    50   0.00000  1.0 1.0
   48    44    49    51   0.00000  1.0 1.0
   48    44    49    58   1.44450  1.0 1.0
   48    44    49    58   0.06600 -1.0 2.0
   48    44    49    58   0.29250  1.0 3.0
   48    55    63    64   0.15000  1.0 3.0
   48    55    63    65   0.15000  1.0 3.0
   48    55    63    66   0.15000  1.0 3.0
   48    55    67    68   0.15000  1.0 3.0
   48    55    67    69   0.15000  1.0 3.0
   48    55    67    70   0.15000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40  -0.95700  1.0 1.0
   55    33   -38    40  -0.18200 -1.0 2.0
   55    33   -38    40   0.29450  1.0 3.0
   55    33    38    42  -0.95700  1.0 1.0
   55    33    38    42  -0.18200 -1.0 2.0
   55    33    38    42   0.29450  1.0 3.0
   55    48    56    57   2.00000 -1.0 2.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    70   0.15000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   56    48    55    33   0.09700  1.0 1.0
   56    48    55    33   0.15600 -1.0 2.0
   56    48    55    33  -0.50800  1.0 3.0
   56    48    55    63   0.09700  1.0 1.0
   56    48    55    63   0.15600 -1.0 2.0
   56    48    55    63  -0.50800  1.0 3.0
   56    48    55    67   0.09700  1.0 1.0
   56    48    55    67   0.15600 -1.0 2.0
   56    48    55    67  -0.50800  1.0 3.0
   49    44    48    55   7.00000 -1.0 2.0
   49    44    48    56   7.00000 -1.0 2.0
   49    58    71    72   3.62500 -1.0 2.0
   49    58    71    73   3.62500 -1.0 2.0
   49    58    84    78   3.62500 -1.0 2.0
   49    58    84    91   3.62500 -1.0 2.0
   50    49    58    71   0.00000  1.0 1.0
   50    49    58    84   0.00000  1.0 1.0
   51    49    58    71   0.00000  1.0 1.0
   51    49    58    84   0.00000  1.0 1.0
   58    71    72    75   3.62500 -1.0 2.0
   58    71    72    76   3.62500 -1.0 2.0
   58    71    73    74   0.84100 -1.0 2.0
   58    84    91    92   0.84100 -1.0 2.0
   71    58    84    78   3.62500 -1.0 2.0
   71    58    84    91   3.62500 -1.0 2.0
   71    72   -75    78   3.62500 -1.0 2.0
   71    72    75    79   3.62500 -1.0 2.0
   71    72    76    77   1.05000 -1.0 2.0
   71    72    76    81   2.26350  1.0 1.0
   71    72    76    81   0.76750 -1.0 2.0
   71    72    76    81   0.22500  1.0 3.0
   72    71    73    74   0.84100 -1.0 2.0
   72    75    78    84   3.62500 -1.0 2.0
   72    75    78    85   3.62500 -1.0 2.0
   72    75    79    80   0.84100 -1.0 2.0
   72    76    81    82   0.00000  1.0 1.0
   72    76    81    83   0.00000  1.0 1.0
   72    76    81    88   0.05850 -1.0 2.0
   72    76    81    88   0.17250  1.0 3.0
   75    72    76    77   1.05000 -1.0 2.0
   75    72    76    81   2.26350  1.0 1.0
   75    72    76    81   0.76750 -1.0 2.0
   75    72    76    81   0.22500  1.0 3.0
   75    78   -84    58   3.62500 -1.0 2.0
   75    78    84    91   3.62500 -1.0 2.0
   75    78    85    86   0.00000  1.0 1.0
   75    78    85    87   0.00000  1.0 1.0
   75    78    85    93   0.04150 -1.0 2.0
   78    75    79    80   0.84100 -1.0 2.0
   78    84    91    92   0.84100 -1.0 2.0
   78    85    93    94   0.43200  1.0 3.0
   78    85    93    99   0.56750  1.0 1.0
   78    85    93    99  -0.07550 -1.0 2.0
   78    85    93    99   0.20000  1.0 3.0
   78    85    93   111   0.56750  1.0 1.0
   78    85    93   111  -0.07550 -1.0 2.0
   78    85    93   111   0.20000  1.0 3.0
   84    58   -71    72   3.62500 -1.0 2.0
   84    58    71    73   3.62500 -1.0 2.0
   84    78    85    86   0.00000  1.0 1.0
   84    78    85    87   0.00000  1.0 1.0
   84    78    85    93   0.04150 -1.0 2.0
   85    78    84    58   3.62500 -1.0 2.0
   85    78    84    91   3.62500 -1.0 2.0
   85    93    99   100   0.30150 -1.0 2.0
   85    93    99   101   0.60050  1.0 1.0
   85    93    99   101   0.05600 -1.0 2.0
   85    93    99   101   0.26150  1.0 3.0
   85    93   111   107   0.60050  1.0 1.0
   85    93   111   107   0.05600 -1.0 2.0
   85    93   111   107   0.26150  1.0 3.0
   85    93   111   112   0.30150 -1.0 2.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    99  -0.11250  1.0 3.0
   86    85    93   111  -0.11250  1.0 3.0
   87    85    93    94   0.15000  1.0 3.0
   87    85    93    99  -0.11250  1.0 3.0
   87    85    93   111  -0.11250  1.0 3.0
   93    99   101   102   0.00000  1.0 1.0
   93    99   101   103   0.65300  1.0 1.0
   93    99   101   103  -0.03850 -1.0 2.0
   93    99   101   103   0.33900  1.0 3.0
   93    99   101   105   0.65300  1.0 1.0
   93    99   101   105  -0.03850 -1.0 2.0
   93    99   101   105   0.33900  1.0 3.0
   94    93    99   100   0.00000  1.0 1.0
   94    93    99   101   0.00000  1.0 1.0
   94    93   111   107   0.00000  1.0 1.0
   94    93   111   112   0.00000  1.0 1.0
   99    93   111   107   0.65300  1.0 1.0
   99    93   111   107  -0.03850 -1.0 2.0
   99    93   111   107   0.33900  1.0 3.0
   99    93   111   112   0.30150 -1.0 2.0
   99   101   103   104   0.30150 -1.0 2.0
   99   101  -103   107   0.65300  1.0 1.0
   99   101  -103   107  -0.03850 -1.0 2.0
   99   101  -103   107   0.33900  1.0 3.0
   99   101   105   106   0.30150 -1.0 2.0
   99   101   105   108   0.65300  1.0 1.0
   99   101   105   108  -0.03850 -1.0 2.0
   99   101   105   108   0.33900  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.30150 -1.0 2.0
  100    99   101   105   0.30150 -1.0 2.0
  101   103   107   111   0.65300  1.0 1.0
  101   103   107   111  -0.03850 -1.0 2.0
  101   103   107   111   0.33900  1.0 3.0
  101   103   107   113   0.60050  1.0 1.0
  101   103   107   113   0.05600 -1.0 2.0
  101   103   107   113   0.26150  1.0 3.0
  101   103   107   117   0.60050  1.0 1.0
  101   103   107   117   0.05600 -1.0 2.0
  101   103   107   117   0.26150  1.0 3.0
  101   105   108   109   0.00000  1.0 1.0
  101   105   108   110   0.00000  1.0 1.0
  101   105   108   121   0.60050  1.0 1.0
  101   105   108   121   0.05600 -1.0 2.0
  101   105   108   121   0.26150  1.0 3.0
  102   101   103   104   0.00000  1.0 1.0
  102   101   103   107   0.00000  1.0 1.0
  102   101   105   106   0.00000  1.0 1.0
  102   101   105   108   0.00000  1.0 1.0
  103   101   105   106   0.30150 -1.0 2.0
  103   101   105   108   0.65300  1.0 1.0
  103   101   105   108  -0.03850 -1.0 2.0
  103   101   105   108   0.33900  1.0 3.0
  103   107  -111    93   0.65300  1.0 1.0
  103   107  -111    93  -0.03850 -1.0 2.0
  103   107  -111    93   0.33900  1.0 3.0
  103   107   111   112   0.30150 -1.0 2.0
  103   107   113   114  -0.11250  1.0 3.0
  103   107   113   115  -0.11250  1.0 3.0
  103   107   113   116  -0.11250  1.0 3.0
  103   107   117   118  -0.11250  1.0 3.0
  103   107   117   119  -0.11250  1.0 3.0
  103   107   117   120  -0.11250  1.0 3.0
  104   103   107   111   0.30150 -1.0 2.0
  104   103   107   113   0.30150 -1.0 2.0
  104   103   107   117   0.30150 -1.0 2.0
  111    93    99   100   0.30150 -1.0 2.0
  111    93   -99   101   0.65300  1.0 1.0
  111    93   -99   101  -0.03850 -1.0 2.0
  111    93   -99   101   0.33900  1.0 3.0
  111   107   113   114  -0.11250  1.0 3.0
  111   107   113   115  -0.11250  1.0 3.0
  111   107   113   116  -0.11250  1.0 3.0
  111   107   117   118  -0.11250  1.0 3.0
  111   107   117   119  -0.11250  1.0 3.0
  111   107   117   120  -0.11250  1.0 3.0
  113   107   111    93   0.60050  1.0 1.0
  113   107   111    93   0.05600 -1.0 2.0
  113   107   111    93   0.26150  1.0 3.0
  113   107   111   112   0.30150 -1.0 2.0
  113   107   117   118   0.15000  1.0 3.0
  113   107   117   119   0.15000  1.0 3.0
  113   107   117   120   0.15000  1.0 3.0
  117   107   111    93   0.60050  1.0 1.0
  117   107   111    93   0.05600 -1.0 2.0
  117   107   111    93   0.26150  1.0 3.0
  117   107   111   112   0.30150 -1.0 2.0
  117   107   113   114   0.15000  1.0 3.0
  117   107   113   115   0.15000  1.0 3.0
  117   107   113   116   0.15000  1.0 3.0
  105   101   103   104   0.30150 -1.0 2.0
  105   101   103   107   0.65300  1.0 1.0
  105   101   103   107  -0.03850 -1.0 2.0
  105   101   103   107   0.33900  1.0 3.0
  105   108   121   122  -0.11250  1.0 3.0
  105   108   121   123  -0.11250  1.0 3.0
  105   108   121   124  -0.95700  1.0 1.0
  105   108   121   124  -0.18200 -1.0 2.0
  105   108   121   124   0.29450  1.0 3.0
  106   105   108   109   0.00000  1.0 1.0
  106   105   108   110   0.00000  1.0 1.0
  106   105   108   121   0.30150 -1.0 2.0
  108   121   124   125   0.15000  1.0 3.0
  108   121   124   126   0.15000  1.0 3.0
  108   121   124   127   0.15000  1.0 3.0
  109   108   121   122   0.15000  1.0 3.0
  109   108   121   123   0.15000  1.0 3.0
  109   108   121   124   0.15000  1.0 3.0
  110   108   121   122   0.15000  1.0 3.0
  110   108   121   123   0.15000  1.0 3.0
  110   108   121   124   0.15000  1.0 3.0
  122   121   124   125   0.15000  1.0 3.0
  122   121   124   126   0.15000  1.0 3.0
  122   121   124   127   0.15000  1.0 3.0
  123   121   124   125   0.15000  1.0 3.0
  123   121   124   126   0.15000  1.0 3.0
  123   121   124   127   0.15000  1.0 3.0
   79    75    78    84   3.62500 -1.0 2.0
   79    75    78    85   3.62500 -1.0 2.0
   76    72    75    78   3.62500 -1.0 2.0
   76    72    75    79   3.62500 -1.0 2.0
   76    81    88    89  -0.11250  1.0 3.0
   76    81    88    90  -0.11250  1.0 3.0
   76    81    88    95  -0.95700  1.0 1.0
   76    81    88    95  -0.18200 -1.0 2.0
   76    81    88    95   0.29450  1.0 3.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    83   0.00000  1.0 1.0
   77    76    81    88   0.30150 -1.0 2.0
   81    88    95    96   0.15000  1.0 3.0
   81    88    95    97   0.15000  1.0 3.0
   81    88    95    98   0.15000  1.0 3.0
   82    81    88    89   0.15000  1.0 3.0
   82    81    88    90   0.15000  1.0 3.0
   82    81    88    95   0.15000  1.0 3.0
   83    81    88    89   0.15000  1.0 3.0
   83    81    88    90   0.15000  1.0 3.0
   83    81    88    95   0.15000  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95    98   0.15000  1.0 3.0
   90    88    95    96   0.15000  1.0 3.0
   90    88    95    97   0.15000  1.0 3.0
   90    88    95    98   0.15000  1.0 3.0
   73    71    72    75   3.62500 -1.0 2.0
   73    71    72    76   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  1.0 3.0
   42    45    52    53  -0.11250  1.0 3.0
   42    45    52    54  -0.11250  1.0 3.0
   42    45    52    59  -0.95700  1.0 1.0
   42    45    52    59  -0.18200 -1.0 2.0
   42    45    52    59   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    52   0.30150 -1.0 2.0
   45    52    59    60   0.15000  1.0 3.0
   45    52    59    61   0.15000  1.0 3.0
   45    52    59    62   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    59   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    59   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   40    49    44    48   1.10000 -1.0 2.0
   55    56    48    44   1.10000 -1.0 2.0
   71    84    58    49   4.00000 -1.0 2.0
   72    73    71    58   4.00000 -1.0 2.0
   75    76    72    71   4.00000 -1.0 2.0
   78    79    75    72   4.00000 -1.0 2.0
   84    85    78    75   4.00000 -1.0 2.0
   78    91    84    58   4.00000 -1.0 2.0
   93   101    99   100  10.50000 -1.0 2.0
  101   107   103   104  10.50000 -1.0 2.0
   93   107   111   112  10.50000 -1.0 2.0
  101   108   105   106  10.50000 -1.0 2.0
   72    81    76    77  10.50000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
END
