* LIGAND DATABASE FILE (OPLS2005)
*
001     120   121    228    337     674
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02122    95.47482   -59.42055
    3     1 S   H    _H1_     3     1.02069    84.47402    48.94585
    4     1 S   H    _H2_     4     1.02113    33.96713  -175.05866
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84881    97.21274  -178.11477
   34    33 S   HC   _H3_    37     1.08925   104.01247    36.96787
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CT   _C7_    38     1.54117   106.93849   -80.03509
   39    38 S   HC   _H39    39     1.10137   111.83794    21.59260
   40    38 S   HC   _H40    40     1.09496   112.61378   -95.89514
   41    33 S   CT   _C21    63     1.57023   111.39830   153.11126
   42    38 S   CO4  _C4_    41     1.52779   113.28202   144.17259
   43    42 S   O    _O30    42     1.23143   120.51708   113.22689
   44    41 S   CT   _C27    64     1.54220   111.16039   169.91980
   45    44 S   HC   _H71    65     1.08581   109.28928   179.96574
   46    44 S   HC   _H72    66     1.08510   109.29418    60.03506
   47    44 S   HC   _H73    67     1.08494   109.34403   -60.03789
   48    41 S   OH   _O38    68     1.43601   107.34946    53.58887
   49    48 S   HO   _H86    69     0.96487   105.70505    59.94763
   50    42 S   CT   _C11    43     1.53179   117.49929   -69.16705
   51    50 S   HC   _H46    44     1.14688   104.92871   -14.73504
   52    50 S   CT   _C8_    45     1.54182   113.02257   101.85547
   53    52 S   HC   _H41    46     1.11514   108.29865  -140.92735
   54    52 S   HC   _H42    47     1.11672   107.56861   -30.52593
   55    50 S   CT   _C23   117     1.52557   110.55734  -127.57921
   56    55 S   HC   _H59   118     1.08867   109.88328   -67.27442
   57    55 S   HC   _H60   119     1.09005   109.79468   172.76020
   58    55 S   HC   _H61   120     1.08855   109.86129    52.76107
   59    52 S   CT   _C13    48     1.54125   119.46250    93.09848
   60    59 S   HC   _H48    49     1.09695   108.53532    50.06732
   61    59 S   CT   _C15    50     1.56179   111.45928   166.96066
   62    61 S   HC   _H50    51     1.09095   107.99465   -59.85578
   63    59 S   CT   _C25   113     1.53326   112.48737   -66.54914
   64    63 S   HC   _H65   114     1.08646   109.53575   -61.70571
   65    63 S   HC   _H66   115     1.08629   109.55928   178.29981
   66    63 S   HC   _H67   116     1.08695   109.54753    58.26034
   67    61 S   CT   _C12    52     1.55340   115.85660    63.60366
   68    67 S   HC   _H47    53     1.08916   111.04750    35.98523
   69    61 S   OS   _O39    85     1.43243   108.05615  -173.12183
   70    67 S   CO4  _C5_    54     1.53607   112.67361   -84.10093
   71    70 S   O    _O33    55     1.23183   122.01635   -29.05957
   72    67 S   CT   _C24    81     1.53365   112.49981   155.02846
   73    72 S   HC   _H62    82     1.08682   109.59661    58.22696
   74    72 S   HC   _H63    83     1.08756   109.54231   -61.69763
   75    72 S   HC   _H64    84     1.08626   109.63086   178.29567
   76    69 S   CO   _C20    86     1.42756   111.10525   115.09872
   77    76 S   HC   _H55    87     1.09726   107.16121    60.04439
   78    70 S   CT   _C10    56     1.52711   117.08860   152.60258
   79    78 S   HC   _H45    57     1.09100   108.32668    -2.03028
   80    76 S   CT   _C16    88     1.53220   107.95424   179.58599
   81    80 S   HC   _H51    89     1.09681   109.49707    51.51328
   82    78 S   CO4  _C6_    58     1.51730   112.52458  -120.57267
   83    82 S   O    _O34    59     1.22301   124.28912   -58.60659
   84    78 S   CT   _C22    77     1.52597   110.12329   117.54731
   85    84 S   HC   _H56    78     1.08979   109.96869    61.01222
   86    84 S   HC   _H57    79     1.08965   109.89439   -58.92394
   87    84 S   HC   _H58    80     1.08921   109.92323  -178.94057
   88    80 S   CT   _C14    90     1.53418   110.93896   173.96424
   89    88 S   HC   _H49    91     1.09467   109.39326    70.41153
   90    80 S   OH   _O37   111     1.42728   107.89911   -65.56453
   91    90 S   HO   _H85   112     0.96939   106.49369   -61.10123
   92    82 S   OS   _O35    60     1.36182   109.37778   121.67983
   93    88 S   CT   _C9_    92     1.52999   110.47811   -50.04816
   94    93 S   HC   _H43    93     1.09697   110.41620   174.18975
   95    93 S   HC   _H44    94     1.09907   109.29445   -67.91119
   96    88 S   NTH0 _N29   102     1.46385   110.80439  -171.62028
   97    92 S   CT   _C19    61     1.45047   119.78054   179.40950
   98    97 S   HC   _H54    62     1.08484   110.51686   -18.06024
   99    93 S   CT   _C18    95     1.52936   110.22731    52.09328
  100    99 S   HC   _H53    96     1.09702   110.54779    62.41975
  101    96 S   CT   _C29   103     1.46172   110.43254   -77.86818
  102   101 S   HC   _H77   104     1.09258   110.15709   180.00000
  103   101 S   HC   _H78   105     1.09384   110.20976    59.90694
  104   101 S   HC   _H79   106     1.09413   110.20757   -59.96655
  105    96 S   CT   _C30   107     1.46196   110.38884   159.59325
  106   105 S   HC   _H80   108     1.09366   110.08612   179.98022
  107   105 S   HC   _H81   109     1.09345   110.19104    60.04695
  108   105 S   HC   _H82   110     1.09298   110.25016   -59.96876
  109    97 S   CT   _C31    70     1.53113   105.89184  -134.77567
  110   109 S   HC   _H83    71     1.09165   108.85008   179.61948
  111   109 S   HC   _H84    72     1.09088   108.81757   -62.95267
  112    76 S   OS   _O36    97     1.42638   109.73073   -59.59326
  113    99 S   CT   _C26    98     1.52322   111.08626  -176.88555
  114   113 S   HC   _H68    99     1.09050   110.01650    58.21242
  115   113 S   HC   _H69   100     1.09023   110.03175   -61.84234
  116   113 S   HC   _H70   101     1.09102   110.01446   178.18318
  117   109 S   CT   _C28    73     1.49199   111.44818    58.33500
  118   117 S   HC   _H74    74     1.09628   109.48261   -59.27787
  119   117 S   HC   _H75    75     1.09547   110.95716  -178.42443
  120   117 S   HC   _H76    76     1.09458   111.01128    59.97223
  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
  18   8   2   1   1  12   5   4  15  11   4   9   4   3   2   5
   1  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2
   1   1  13   8  10  14   5   4   2   1   1  13   6   9   7  13
   7   9   3   4   2   1   1  19   8   4   1   6  12   6   5   9
   8   4   6   5   7   3   2   1   3   2   1   1   6   5   4   4
   3   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    97    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    92    97    98    41    44    45    46    47    48    49   109  
   38    39    40    42    97    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    51    52    97    41    44    48    55  
   40    42    43    50    41  
   42    43    50    41  
   44    45    46    47    48    49   109   110   111   117    42    82    92    97    98  
   43    50    51    52    53    54    59    55    56    57    58  
   50    51    52    55  
   45    46    47    48    49   109    92    97    98  
   46    47    48    97  
   47    48    97  
   48    97  
   49   109    92    97    98  
   97  
   51    52    53    54    59    60    61    63    55    56    57    58  
   52    53    54    59    55    56    57    58  
   53    54    59    60    61    62    67    69    63    64    65    66    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    67    68    70    72    69    76    63    64    65    66  
   61    62    67    69    63    64    65    66  
   62    67    68    70    71    78    72    73    74    75    69    76    77    80   112    63    64    65    66  
   67    68    70    72    69    76    63  
   64    65    66    67    69  
   65    66  
   66  
    0  
   68    70    71    78    79    82    84    72    73    74    75    69    76  
   70    71    78    72    73    74    75    69  
   76    77    80    81    88    99   112    90    70    72  
   71    78    79    82    83    92    84    85    86    87    72    73    74    75  
   78    79    82    84    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    88    89    93    99   100   112   113    96    90    91  
   80    81    88    99   112    90  
   79    82    83    92    97    84    85    86    87  
   82    83    92    84    85    86    87  
   81    88    89    93    94    95    99   112    96   101   105    90    91  
   88    89    93   112    96    90    91  
   83    92    97    98   109    84    85    86    87  
   92    97    84  
   85    86    87    92  
   86    87  
   87  
    0  
   89    93    94    95    99   100   112   113    96   101   102   103   104   105   106   107   108    90    91  
   93    94    95    99    96   101   105    90  
   91    93    96   112  
    0  
   97    98   109   110   111   117  
   94    95    99   100   112   113   114   115   116    96   101   105  
   95    99   100   112   113    96  
   99   100   112   113    96  
  101   102   103   104   105   106   107   108    99  
   98   109   110   111   117   118   119   120  
  109   110   111   117  
  100   112   113   114   115   116  
  112   113   114   115   116  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
  110   111   117   118   119   120  
  111   117   118   119   120  
  117   118   119   120  
  113   114   115   116  
  114   115   116  
  115   116  
  116  
    0  
  118   119   120  
  119   120  
  120  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   97   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   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   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   320.000  1.410
   67    68   340.000  1.090
   67    70   317.000  1.522
   67    72   268.000  1.529
   70    71   570.000  1.229
   70    78   317.000  1.522
   78    79   340.000  1.090
   78    82   317.000  1.522
   78    84   268.000  1.529
   82    83   570.000  1.229
   82    92   214.000  1.327
   92    97   320.000  1.410
   97    98   340.000  1.090
   97    41   268.000  1.529
   97   109   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   117   268.000  1.529
  117   118   340.000  1.090
  117   119   340.000  1.090
  117   120   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    76   320.000  1.380
   76    77   340.000  1.090
   76    80   250.000  1.527
   76   112   320.000  1.380
   80    81   340.000  1.090
   80    88   268.000  1.529
   80    90   320.000  1.410
   88    89   340.000  1.090
   88    93   268.000  1.529
   88    96   310.000  1.447
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    99   268.000  1.529
   99   100   340.000  1.090
   99   112   320.000  1.410
   99   113   268.000  1.529
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   96   101   310.000  1.447
   96   105   310.000  1.447
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   90    91   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    97    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    50    51    35.00000  109.50000
   42    50    52    63.00000  111.10000
   42    50    55    63.00000  111.10000
   50    42    43    80.00000  120.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    58.35000  112.70000
   59    61    69    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    70    63.00000  111.10000
   61    67    72    58.35000  112.70000
   61    69    76    60.00000  109.50000
   67    61    62    37.50000  110.70000
   67    70    71    80.00000  120.40000
   67    70    78    70.00000  116.00000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    67    68    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    82    75.00000  107.99600
   70    78    84    63.00000  111.10000
   78    70    71    80.00000  120.40000
   78    82    83    80.00000  120.40000
   78    82    92    81.00000  111.40000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   82    78    79    35.00000  109.50000
   82    92    97    83.00000  116.90000
   92    82    83    83.00000  123.40000
   92    97    98    35.00000  109.50000
   92    97    41    50.00000  109.50000
   92    97   109    50.00000  109.50000
   97    41    44    58.35000  112.70000
   97    41    48    50.00000  109.50000
   97   109   110    37.50000  110.70000
   97   109   111    37.50000  110.70000
   97   109   117    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    97    98    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
  109    97    98    37.50000  110.70000
  109    97    41    58.35000  112.70000
  109   117   118    37.50000  110.70000
  109   117   119    37.50000  110.70000
  109   117   120    37.50000  110.70000
  111   109   110    33.00000  107.80000
  117   109   110    37.50000  110.70000
  117   109   111    37.50000  110.70000
  119   117   118    33.00000  107.80000
  120   117   118    33.00000  107.80000
  120   117   119    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    82    63.00000  111.10000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    67    50.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    80    90.00000  108.56700
   69    76   112    92.60000  111.55000
   76    80    81    45.00000  108.72000
   76    80    88    75.00000  109.43000
   76    80    90    90.00000  111.58700
   76   112    99    60.00000  109.50000
   80    76    77    45.00000  112.01100
   80    88    89    37.50000  110.70000
   80    88    93    58.35000  112.70000
   80    88    96    75.00000  113.73300
   80    90    91    55.00000  108.50000
   88    80    81    37.50000  110.70000
   88    93    94    37.50000  110.70000
   88    93    95    37.50000  110.70000
   88    93    99    58.35000  112.70000
   88    96   101    80.00000  110.40700
   88    96   105    80.00000  110.40700
   93    88    89    37.50000  110.70000
   93    99   100    37.50000  110.70000
   93    99   112    50.00000  109.50000
   93    99   113    58.35000  112.70000
   95    93    94    33.00000  107.80000
   99    93    94    37.50000  110.70000
   99    93    95    37.50000  110.70000
   99   113   114    37.50000  110.70000
   99   113   115    37.50000  110.70000
   99   113   116    37.50000  110.70000
  112    76    77    35.00000  109.50000
  112    76    80    90.00000  108.56700
  112    99   100    35.00000  109.50000
  113    99   100    37.50000  110.70000
  113    99   112    50.00000  109.50000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   96    88    89    50.00000  110.15500
   96    88    93    75.00000  113.73300
   96   101   102    50.00000  110.15500
   96   101   103    50.00000  110.15500
   96   101   104    50.00000  110.15500
   96   105   106    50.00000  110.15500
   96   105   107    50.00000  110.15500
   96   105   108    50.00000  110.15500
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    96   101    80.00000  110.40700
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   90    80    81    35.00000  109.50000
   90    80    88    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  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    41    97   0.44750  1.0 1.0
   29    33    41    97  -0.17800 -1.0 2.0
   29    33    41    97   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    41    97   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    97   0.56750  1.0 1.0
   38    33    41    97  -0.07550 -1.0 2.0
   38    33    41    97   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    51   0.00000  1.0 1.0
   38    42    50    52   0.60050  1.0 1.0
   38    42    50    52   0.05600 -1.0 2.0
   38    42    50    52   0.26150  1.0 3.0
   38    42    50    55   0.60050  1.0 1.0
   38    42    50    55   0.05600 -1.0 2.0
   38    42    50    55   0.26150  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    50   0.00000  1.0 1.0
   42    50    52    53  -0.11250  1.0 3.0
   42    50    52    54  -0.11250  1.0 3.0
   42    50    52    59  -0.95700  1.0 1.0
   42    50    52    59  -0.18200 -1.0 2.0
   42    50    52    59   0.29450  1.0 3.0
   42    50    55    56  -0.11250  1.0 3.0
   42    50    55    57  -0.11250  1.0 3.0
   42    50    55    58  -0.11250  1.0 3.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    52   0.30150 -1.0 2.0
   43    42    50    55   0.30150 -1.0 2.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.56750  1.0 1.0
   50    52    59    61  -0.07550 -1.0 2.0
   50    52    59    61   0.20000  1.0 3.0
   50    52    59    63   0.56750  1.0 1.0
   50    52    59    63  -0.07550 -1.0 2.0
   50    52    59    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    58   0.15000  1.0 3.0
   52    59    61    62   0.15000  1.0 3.0
   52    59    61    67   0.56750  1.0 1.0
   52    59    61    67  -0.07550 -1.0 2.0
   52    59    61    67   0.20000  1.0 3.0
   52    59    61    69   0.62750  1.0 1.0
   52    59    61    69  -0.30950 -1.0 2.0
   52    59    61    69   0.27300  1.0 3.0
   52    59    63    64   0.15000  1.0 3.0
   52    59    63    65   0.15000  1.0 3.0
   52    59    63    66   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    63   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    63   0.15000  1.0 3.0
   59    61    67    68   0.15000  1.0 3.0
   59    61    67    70  -0.95700  1.0 1.0
   59    61    67    70  -0.18200 -1.0 2.0
   59    61    67    70   0.29450  1.0 3.0
   59    61    67    72   0.56750  1.0 1.0
   59    61    67    72  -0.07550 -1.0 2.0
   59    61    67    72   0.20000  1.0 3.0
   59    61    69    76   0.06250  1.0 1.0
   59    61    69    76  -0.01100 -1.0 2.0
   59    61    69    76   0.28050  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    67   0.15000  1.0 3.0
   60    59    61    69   0.23400  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    67    70    71   0.30150 -1.0 2.0
   61    67    70    78   0.60050  1.0 1.0
   61    67    70    78   0.05600 -1.0 2.0
   61    67    70    78   0.26150  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75   0.15000  1.0 3.0
   61    69    76    77   0.37050  1.0 3.0
   61    69    76    80   0.06250  1.0 1.0
   61    69    76    80  -0.01100 -1.0 2.0
   61    69    76    80   0.28050  1.0 3.0
   61    69    76   112  -0.53350  1.0 1.0
   61    69    76   112  -0.78350 -1.0 2.0
   61    69    76   112   0.33750  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    70  -0.11250  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    69    76   0.37050  1.0 3.0
   67    61    69    76   0.06250  1.0 1.0
   67    61    69    76  -0.01100 -1.0 2.0
   67    61    69    76   0.28050  1.0 3.0
   67    70    78    79   0.00000  1.0 1.0
   67    70    78    82   0.65300  1.0 1.0
   67    70    78    82  -0.03850 -1.0 2.0
   67    70    78    82   0.33900  1.0 3.0
   67    70    78    84   0.60050  1.0 1.0
   67    70    78    84   0.05600 -1.0 2.0
   67    70    78    84   0.26150  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    78   0.00000  1.0 1.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   70    67    72    73  -0.11250  1.0 3.0
   70    67    72    74  -0.11250  1.0 3.0
   70    67    72    75  -0.11250  1.0 3.0
   70    78    82    83   0.30150 -1.0 2.0
   70    78    82    92   0.40000  1.0 3.0
   70    78    84    85  -0.11250  1.0 3.0
   70    78    84    86  -0.11250  1.0 3.0
   70    78    84    87  -0.11250  1.0 3.0
   71    70    78    79   0.00000  1.0 1.0
   71    70    78    82   0.30150 -1.0 2.0
   71    70    78    84   0.30150 -1.0 2.0
   78    82    92    97   1.63150  1.0 1.0
   78    82    92    97   2.92000 -1.0 2.0
   79    78    82    83   0.00000  1.0 1.0
   79    78    82    92   0.00000  1.0 1.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   82    78    84    85  -0.11250  1.0 3.0
   82    78    84    86  -0.11250  1.0 3.0
   82    78    84    87  -0.11250  1.0 3.0
   82    92    97    98   0.08050  1.0 3.0
   82    92    97    41  -0.25900  1.0 1.0
   82    92    97    41  -0.47000 -1.0 2.0
   82    92    97    41   0.11750  1.0 3.0
   82    92    97   109  -0.25900  1.0 1.0
   82    92    97   109  -0.47000 -1.0 2.0
   82    92    97   109   0.11750  1.0 3.0
   83    82    92    97   3.00000 -1.0 2.0
   92    97    41    33   0.62750  1.0 1.0
   92    97    41    33  -0.30950 -1.0 2.0
   92    97    41    33   0.27300  1.0 3.0
   92    97    41    44   0.62750  1.0 1.0
   92    97    41    44  -0.30950 -1.0 2.0
   92    97    41    44   0.27300  1.0 3.0
   92    97    41    48   3.69350  1.0 1.0
   92    97    41    48  -1.82950 -1.0 2.0
   92    97   109   110   0.23400  1.0 3.0
   92    97   109   111   0.23400  1.0 3.0
   92    97   109   117   0.62750  1.0 1.0
   92    97   109   117  -0.30950 -1.0 2.0
   92    97   109   117   0.27300  1.0 3.0
   97    41    44    45   0.15000  1.0 3.0
   97    41    44    46   0.15000  1.0 3.0
   97    41    44    47   0.15000  1.0 3.0
   97    41    48    49  -0.11600  1.0 1.0
   97    41    48    49  -0.09450 -1.0 2.0
   97    41    48    49   0.21250  1.0 3.0
   97   109   117   118   0.15000  1.0 3.0
   97   109   117   119   0.15000  1.0 3.0
   97   109   117   120   0.15000  1.0 3.0
   98    97    41    33   0.15000  1.0 3.0
   98    97    41    44   0.15000  1.0 3.0
   98    97    41    48   0.23400  1.0 3.0
   98    97   109   110   0.15000  1.0 3.0
   98    97   109   111   0.15000  1.0 3.0
   98    97   109   117   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42  -0.95700  1.0 1.0
   41    33    38    42  -0.18200 -1.0 2.0
   41    33    38    42   0.29450  1.0 3.0
   41    97   109   110   0.15000  1.0 3.0
   41    97   109   111   0.15000  1.0 3.0
   41    97   109   117   0.56750  1.0 1.0
   41    97   109   117  -0.07550 -1.0 2.0
   41    97   109   117   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
  109    97    41    33   0.56750  1.0 1.0
  109    97    41    33  -0.07550 -1.0 2.0
  109    97    41    33   0.20000  1.0 3.0
  109    97    41    44   0.56750  1.0 1.0
  109    97    41    44  -0.07550 -1.0 2.0
  109    97    41    44   0.20000  1.0 3.0
  109    97    41    48   0.86500  1.0 1.0
  109    97    41    48  -0.17500 -1.0 2.0
  109    97    41    48   0.20800  1.0 3.0
  110   109   117   118   0.15000  1.0 3.0
  110   109   117   119   0.15000  1.0 3.0
  110   109   117   120   0.15000  1.0 3.0
  111   109   117   118   0.15000  1.0 3.0
  111   109   117   119   0.15000  1.0 3.0
  111   109   117   120   0.15000  1.0 3.0
   84    78    82    83   0.30150 -1.0 2.0
   84    78    82    92   0.36750  1.0 3.0
   72    67    70    71   0.30150 -1.0 2.0
   72    67    70    78   0.60050  1.0 1.0
   72    67    70    78   0.05600 -1.0 2.0
   72    67    70    78   0.26150  1.0 3.0
   69    61    67    68   0.23400  1.0 3.0
   69    61    67    70  -0.09450  1.0 1.0
   69    61    67    70  -1.12950 -1.0 2.0
   69    61    67    70   0.54000  1.0 3.0
   69    61    67    72   0.62750  1.0 1.0
   69    61    67    72  -0.30950 -1.0 2.0
   69    61    67    72   0.27300  1.0 3.0
   69    76    80    81   0.23400  1.0 3.0
   69    76    80    88   0.62750  1.0 1.0
   69    76    80    88  -0.30950 -1.0 2.0
   69    76    80    88   0.27300  1.0 3.0
   69    76    80    90   3.69350  1.0 1.0
   69    76    80    90  -1.82950 -1.0 2.0
   69    76   112    99  -0.81800  1.0 1.0
   76    80    88    89   0.15000  1.0 3.0
   76    80    88    93   3.97050  1.0 1.0
   76    80    88    96   1.85550  1.0 1.0
   76    80    88    96  -0.84100 -1.0 2.0
   76    80    90    91  -0.11600  1.0 1.0
   76    80    90    91  -0.09450 -1.0 2.0
   76    80    90    91   0.21250  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    88   0.15000  1.0 3.0
   77    76    80    90   0.23400  1.0 3.0
   77    76   112    99   0.37050  1.0 3.0
   80    76   112    99   0.06250  1.0 1.0
   80    76   112    99  -0.01100 -1.0 2.0
   80    76   112    99   0.28050  1.0 3.0
   80    88    93    94   0.15000  1.0 3.0
   80    88    93    95   0.15000  1.0 3.0
   80    88   -93    99   0.56750  1.0 1.0
   80    88   -93    99  -0.07550 -1.0 2.0
   80    88   -93    99   0.20000  1.0 3.0
   80    88    96   101   1.99000  1.0 1.0
   80    88    96   101   0.18800 -1.0 2.0
   80    88    96   101   0.81350  1.0 3.0
   80    88    96   105   1.99000  1.0 1.0
   80    88    96   105   0.18800 -1.0 2.0
   80    88    96   105   0.81350  1.0 3.0
   81    80    88    89   0.15000  1.0 3.0
   81    80    88    93   0.15000  1.0 3.0
   81    80    88    96   0.15000  1.0 3.0
   81    80    90    91   0.19450  1.0 3.0
   88    80    90    91  -0.11600  1.0 1.0
   88    80    90    91  -0.09450 -1.0 2.0
   88    80    90    91   0.21250  1.0 3.0
   88    93    99   100   0.15000  1.0 3.0
   88    93    99   112   0.62750  1.0 1.0
   88    93    99   112  -0.30950 -1.0 2.0
   88    93    99   112   0.27300  1.0 3.0
   88    93    99   113   0.56750  1.0 1.0
   88    93    99   113  -0.07550 -1.0 2.0
   88    93    99   113   0.20000  1.0 3.0
   88    96   101   102   0.28000  1.0 3.0
   88    96   101   103   0.28000  1.0 3.0
   88    96   101   104   0.28000  1.0 3.0
   88    96   105   106   0.28000  1.0 3.0
   88    96   105   107   0.28000  1.0 3.0
   88    96   105   108   0.28000  1.0 3.0
   89    88    93    94   0.15000  1.0 3.0
   89    88    93    95   0.15000  1.0 3.0
   89    88    93    99   0.15000  1.0 3.0
   89    88    96   101   0.28000  1.0 3.0
   89    88    96   105   0.28000  1.0 3.0
   93    88    96   101   1.99000  1.0 1.0
   93    88    96   101   0.18800 -1.0 2.0
   93    88    96   101   0.81350  1.0 3.0
   93    88    96   105   1.99000  1.0 1.0
   93    88    96   105   0.18800 -1.0 2.0
   93    88    96   105   0.81350  1.0 3.0
   93    99  -112    76   0.06250  1.0 1.0
   93    99  -112    76  -0.01100 -1.0 2.0
   93    99  -112    76   0.28050  1.0 3.0
   93    99   113   114   0.15000  1.0 3.0
   93    99   113   115   0.15000  1.0 3.0
   93    99   113   116   0.15000  1.0 3.0
   94    93    99   100   0.15000  1.0 3.0
   94    93    99   112   0.23400  1.0 3.0
   94    93    99   113   0.15000  1.0 3.0
   95    93    99   100   0.15000  1.0 3.0
   95    93    99   112   0.23400  1.0 3.0
   95    93    99   113   0.15000  1.0 3.0
  100    99   112    76   0.37050  1.0 3.0
  100    99   113   114   0.15000  1.0 3.0
  100    99   113   115   0.15000  1.0 3.0
  100    99   113   116   0.15000  1.0 3.0
  112    76    80    81   0.23400  1.0 3.0
  112    76   -80    88   0.62750  1.0 1.0
  112    76   -80    88  -0.30950 -1.0 2.0
  112    76   -80    88   0.27300  1.0 3.0
  112    76    80    90   3.69350  1.0 1.0
  112    76    80    90  -1.82950 -1.0 2.0
  112    99   113   114   0.23400  1.0 3.0
  112    99   113   115   0.23400  1.0 3.0
  112    99   113   116   0.23400  1.0 3.0
  113    99   112    76   0.06250  1.0 1.0
  113    99   112    76  -0.01100 -1.0 2.0
  113    99   112    76   0.28050  1.0 3.0
   96    88    93    94   0.15000  1.0 3.0
   96    88    93    95   0.15000  1.0 3.0
   96    88    93    99   1.85550  1.0 1.0
   96    88    93    99  -0.84100 -1.0 2.0
  101    96   105   106   0.28000  1.0 3.0
  101    96   105   107   0.28000  1.0 3.0
  101    96   105   108   0.28000  1.0 3.0
  105    96   101   102   0.28000  1.0 3.0
  105    96   101   103   0.28000  1.0 3.0
  105    96   101   104   0.28000  1.0 3.0
   90    80    88    89   0.23400  1.0 3.0
   90    80    88    93   0.86500  1.0 1.0
   90    80    88    93  -0.17500 -1.0 2.0
   90    80    88    93   0.20800  1.0 3.0
   90    80    88    96   3.18500  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.56750  1.0 1.0
   63    59    61    67  -0.07550 -1.0 2.0
   63    59    61    67   0.20000  1.0 3.0
   63    59    61    69   0.62750  1.0 1.0
   63    59    61    69  -0.30950 -1.0 2.0
   63    59    61    69   0.27300  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    59   0.56750  1.0 1.0
   55    50    52    59  -0.07550 -1.0 2.0
   55    50    52    59   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    50    42    43  10.50000 -1.0 2.0
   67    78    70    71  10.50000 -1.0 2.0
   78    92    82    83  10.50000 -1.0 2.0
END
