* LIGAND DATABASE FILE (OPLS2005)
*
001     127   129    236    365     700
    1     0 S   NP   _N1_     1    28.70657    93.21339   -22.97831
    2     1 S   H    _HN1     2     1.02808    18.63183   149.60871
    3     1 S   H    _H1_     3     1.02759    98.36617   -87.86975
    4     1 S   H    _H2_     4     1.03253    95.76396    21.08633
    5     1 S   CT   _CA1     5     1.50068   129.52057   144.12108
    6     5 S   HC   _HA1     6     1.09569   105.27762    64.12042
    7     5 S   CO3  _C1_     7     1.53747   112.40287   -56.18119
    8     7 S   O2Z  _O11     8     1.26304   115.10313   -48.23003
    9     7 S   O2Z  _O12     9     1.26241   114.88665   131.02472
   10     5 S   CT   _CB1    10     1.53004   107.36434  -177.95044
   11    10 S   HC   HB11    11     1.09781   109.41190   -50.73429
   12    10 S   HC   HB12    12     1.09722   110.28068    65.88817
   13    10 S   CT   _CG1    13     1.52937   112.92616  -171.81060
   14    13 S   HC   HG11    14     1.09591   110.53538   -60.67484
   15    13 S   HC   HG12    15     1.09632   110.04484    58.69445
   16    13 S   C    _CD1    16     1.51804   111.97438   179.18123
   17    16 S   O    _OE1    17     1.22752   123.20563    -1.51064
   18    16 S   N    _N2_    18     1.38623   111.72485   178.24576
   19    18 S   H    _HN2    19     1.01588   119.10841     1.83877
   20    18 S   CT1  _CA2    20     1.46245   123.23385  -178.52674
   21    20 S   HC   _HA2    21     1.09747   109.25447    -9.38247
   22    20 S   C    _C2_    22     1.53360   108.50538  -124.94004
   23    22 S   O    _O2_    23     1.23028   122.42975  -147.68237
   24    20 S   CT   _CB2    32     1.53488   111.68760   112.39905
   25    24 S   HC   HB21    33     1.09560   109.78565    58.04250
   26    24 S   HC   HB22    34     1.09414   109.92282   176.92859
   27    22 S   N    _N3_    24     1.38386   113.42199    39.82818
   28    27 S   H    _HN3    25     1.01641   119.48801    -3.67802
   29    24 S   S    _SG2    35     1.82845   111.17853   -62.27760
   30    27 S   CT   _CA3    26     1.45282   123.10894   176.89417
   31    30 S   HC   HA31    27     1.09552   107.56116   -63.03773
   32    30 S   HC   HA32    28     1.09559   107.90186    53.35603
   33    29 S   CT   _C18    36     1.89481   101.08169  -173.48531
   34    30 S   CO3  _C3_    29     1.52928   114.15511   175.34137
   35    34 S   O2Z  _O31    30     1.26364   116.06725     0.11869
   36    34 S   O2Z  _O32    31     1.26431   114.40823  -179.83331
   37    33 S   CT   _C19    37     1.55807   106.30357    83.13780
   38    37 S   HC   _H3_    38     1.10298   106.94508   -38.50380
   39    33 S   OH   _O37   126     1.43068   107.82823   -35.99590
   40    39 S   HO   _H23   127     0.97059   109.09455  -178.40517
   41    37 S   CMA  _C20    39     1.54369   115.00662    79.69601
   42    41 S   OM   _O35    40     1.26662   110.01913  -166.35435
   43    37 S   CO4  _C21   114     1.55118   112.70450  -150.84435
   44    43 S   O    _O36   115     1.22985   123.08805   -83.33981
   45    41 S   CM   _C15    41     1.35931   121.04554    10.05453
   46    43 S   CT   _C22   116     1.52583   115.57998    97.01065
   47    46 S   HC   _H16   117     1.09565   107.78427    66.26327
   48    46 S   HC   _H17   118     1.09514   108.36179   -50.91079
   49    45 S   CO4  _C16    42     1.50721   121.89228     4.31675
   50    49 S   O    _O38    43     1.23265   119.75808  -169.51879
   51    45 S   CT   _C14    53     1.52621   122.99557  -175.48104
   52    51 S   HC   _H14    54     1.09721   107.10692   -57.54723
   53    51 S   HC   _H15    55     1.09676   112.10162  -170.35971
   54    46 S   CT   _C23   119     1.52580   112.55623  -172.24703
   55    54 S   HC   _H18   120     1.09651   109.99027   -59.64631
   56    54 S   HC   _H19   121     1.09659   109.90512    57.68782
   57    33 S   CT   _C17    44     1.56448   108.93016  -154.76157
   58    51 S   CA   _C12    56     1.52374   114.91393    66.80718
   59    54 S   CT   _C24   122     1.51986   111.48798   179.04223
   60    59 S   HC   _H20   123     1.09470   111.00021   -60.33217
   61    59 S   HC   _H21   124     1.09448   110.26813   179.93147
   62    59 S   HC   _H22   125     1.09468   110.99209    60.18342
   63    57 S   CT   _C25    45     1.55188   111.67403    56.73230
   64    63 S   HC   _H24    46     1.09529   111.35192    55.00399
   65    63 S   HC   _H25    47     1.09459   112.68060   -67.02459
   66    63 S   HC   _H26    48     1.09710   111.28412   174.61133
   67    57 S   CT   _C26    49     1.54488   114.91488   176.97722
   68    67 S   HC   _H27    50     1.09350   112.44092   -52.58790
   69    67 S   HC   _H28    51     1.09787   110.74652  -172.10387
   70    67 S   HC   _H29    52     1.09186   112.51671    71.07259
   71    58 S   CA   _C13    57     1.40883   120.10249  -122.33743
   72    71 S   CA   _C8_    58     1.40279   121.11865   177.29521
   73    71 S   OH   _O34   112     1.37210   117.71224    -4.23346
   74    73 S   HO   _H13   113     0.97055   109.75382  -157.55912
   75    72 S   CA   _C9_    59     1.40153   119.75907     3.06209
   76    72 S   CO4  _C7_   100     1.48205   121.34130  -174.87853
   77    76 S   O    _O33   101     1.22756   118.78568  -128.00453
   78    75 S   CA   _C10    60     1.40274   120.76318    -2.20611
   79    75 S   OH   _O44    98     1.37254   121.67601   178.24119
   80    79 S   HO   _H46    99     0.97287   109.57127   -11.54705
   81    76 S   CT   _C6_   102     1.51743   117.99908    53.91804
   82    81 S   HC   _H11   103     1.09579   109.83964    13.68702
   83    81 S   HC   _H12   104     1.09530   108.27976  -104.24319
   84    58 S   CA   _C11    61     1.41063   122.19441    58.22664
   85    78 S   CT   _C27    64     1.51796   120.49632  -179.23102
   86    85 S   HC   _H31    65     1.09816   108.84950    34.04770
   87    85 S   HC   _H32    66     1.09636   109.02503   146.62746
   88    81 S   CT   _C5_   105     1.52660   110.78930   134.62209
   89    88 S   HC   _H9_   106     1.09651   110.07622    60.67962
   90    88 S   HC   _H10   107     1.09667   109.85145   -56.52953
   91    84 S   OH   _O39    62     1.37188   121.37508     2.91625
   92    91 S   HO   _H30    63     0.97148   109.45527    20.27848
   93    85 S   CT   _C28    67     1.53536   112.92931   -88.88712
   94    93 S   HC   _H4_    68     1.09921   110.34820    38.50943
   95    88 S   CT   _C4_   108     1.51979   111.51066  -177.99846
   96    95 S   HC   _H6_   109     1.09469   111.00917    60.44296
   97    95 S   HC   _H7_   110     1.09468   110.98184   -60.07609
   98    95 S   HC   _H8_   111     1.09448   110.26848  -179.82868
   99    93 S   CO4  _C29    69     1.51188   112.13806   -79.84847
  100    99 S   O    _O40    70     1.23124   120.79430   101.33740
  101    99 S   CT   _C30    71     1.51384   116.76380   -75.46135
  102   101 S   HC   _H5_    72     1.09655   107.45997    65.37269
  103   101 S   CO4  _C31    73     1.51905   112.03685   -50.16342
  104   103 S   O    _O41    74     1.23502   120.59748  -148.14981
  105   101 S   CO4  _C36    86     1.52673   111.48261  -177.99377
  106   105 S   O    _O43    87     1.23112   121.39590    82.23895
  107   103 S   CT   _C32    75     1.53273   118.50901    39.11551
  108   105 S   CT   _C37    88     1.52135   116.13492   -95.06108
  109   108 S   HC   _H39    89     1.09472   107.91608    60.58356
  110   108 S   HC   _H40    90     1.09561   108.01685   -56.59919
  111    93 S   CO4  _C33    76     1.51593   110.31971   154.71797
  112   111 S   O    _O42    77     1.23510   119.23867   -86.40376
  113   107 S   CT   _C34    78     1.54106   108.06271  -149.40697
  114   113 S   HC   _H33    79     1.09609   111.78024  -177.16344
  115   113 S   HC   _H34    80     1.09653   110.77317    62.88746
  116   113 S   HC   _H35    81     1.09613   111.84559   -57.02691
  117   107 S   CT   _C35    82     1.53294   107.99865    92.52061
  118   117 S   HC   _H36    83     1.09590   111.47122  -178.15878
  119   117 S   HC   _H37    84     1.09588   111.25621    61.37123
  120   117 S   HC   _H38    85     1.09422   111.49446   -58.13655
  121   108 S   CT   _C38    91     1.52520   112.66890  -178.14112
  122   121 S   HC   _H41    92     1.09653   109.91807   -60.01173
  123   121 S   HC   _H42    93     1.09622   110.08541    57.28931
  124   121 S   CT   _C39    94     1.51983   111.40115   178.71839
  125   124 S   HC   _H43    95     1.09472   111.00752   -60.06057
  126   124 S   HC   _H44    96     1.09442   110.28046  -179.82529
  127   124 S   HC   _H45    97     1.09455   110.96755    60.46528
  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  11   5   4   3
  21   2   1   1  17   8   7   1  12   4  10   4  11   9   5   4
  14   4  10   4   3   6   5   4   8  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    57    63    67    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    50    57    63    64    65    66    67    68    69    70    43    44    46    39    40  
   35    36  
   36  
    0  
   38    41    42    45    49    57    63    67    51    43    44    46    47    48    54    39    40  
   41    42    45    57    43    44    46    39  
   40    41    43    49    57    63    67  
   57  
   42    45    49    50    57    51    52    53    58    43    44    46  
   45    49    51    43  
   44    46    47    48    54    55    56    59    45    57  
   46    47    48    54  
   49    50    57    63    67    51    52    53    58    71    84  
   47    48    54    55    56    59    60    61    62  
   48    54    55    56    59  
   54    55    56    59  
   50    57    63    64    65    66    67    68    69    70    51    52    53    58  
   57    63    67    51  
   52    53    58    71    72    78    84    91    73    57  
   53    58    71    84  
   58    71    84  
   55    56    59    60    61    62  
   56    59    60    61    62  
   59    60    61    62  
   63    64    65    66    67    68    69    70  
   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  -0.335000   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   270.000  1.512
   37    43   317.000  1.522
   41    42   745.000  1.250
   41    45   465.000  1.376
   45    49   320.000  1.462
   45    51   317.000  1.510
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    63   268.000  1.529
   57    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
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    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
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    37    43    63.00000  111.10000
   33    57    49    63.00000  111.10000
   33    57    63    58.35000  112.70000
   33    57    67    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    85.00000  112.85300
   37    41    45    65.00000  122.18000
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.00000
   41    37    38    45.00000  110.52000
   41    45    49    60.00000  125.92000
   41    45    51    70.00000  124.00000
   45    41    42    65.00000  137.10300
   45    49    50    80.00000  123.72100
   45    49    57    65.00000  118.62400
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    58    70.00000  112.99600
   49    57    63    63.00000  111.10000
   49    57    67    63.00000  111.10000
   57    33    37    58.35000  112.70000
   57    49    50    80.00000  120.40000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    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    57    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
   51    45    49    65.00000  116.34900
   51    58    71    70.00000  120.00000
   51    58    84    70.00000  120.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    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
   43    37    38    35.00000  109.50000
   43    37    41    70.00000  109.06800
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    54    63.00000  111.10000
   46    43    44    80.00000  120.40000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    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
   39    33    37    50.00000  109.50000
   39    33    57    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    49   0.56750  1.0 1.0
   29    33    57    49  -0.07550 -1.0 2.0
   29    33    57    49   0.20000  1.0 3.0
   29    33    57    63   0.44750  1.0 1.0
   29    33    57    63  -0.17800 -1.0 2.0
   29    33    57    63   0.20200  1.0 3.0
   29    33    57    67   0.44750  1.0 1.0
   29    33    57    67  -0.17800 -1.0 2.0
   29    33    57    67   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.09700  1.0 1.0
   33    37    41    42   0.15600 -1.0 2.0
   33    37    41    42  -0.50800  1.0 3.0
   33    37    41    45   0.09850  1.0 1.0
   33    37    41    45   0.15250 -1.0 2.0
   33    37    41    45  -0.50650  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    57    63    64   0.15000  1.0 3.0
   33    57    63    65   0.15000  1.0 3.0
   33    57    63    66   0.15000  1.0 3.0
   33    57    67    68   0.15000  1.0 3.0
   33    57    67    69   0.15000  1.0 3.0
   33    57    67    70   0.15000  1.0 3.0
   37    33    57    49  -0.95700  1.0 1.0
   37    33    57    49  -0.18200 -1.0 2.0
   37    33    57    49   0.29450  1.0 3.0
   37    33    57    63   0.56750  1.0 1.0
   37    33    57    63  -0.07550 -1.0 2.0
   37    33    57    63   0.20000  1.0 3.0
   37    33    57    67   0.56750  1.0 1.0
   37    33    57    67  -0.07550 -1.0 2.0
   37    33    57    67   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -45    49   7.00000 -1.0 2.0
   37    41    45    51   7.00000 -1.0 2.0
   37    43    46    47   0.00000  1.0 1.0
   37    43    46    48   0.00000  1.0 1.0
   37    43    46    54   0.60050  1.0 1.0
   37    43    46    54   0.05600 -1.0 2.0
   37    43    46    54   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    46   0.00000  1.0 1.0
   41    37    43    44   0.30150 -1.0 2.0
   41    37    43    46   0.65300  1.0 1.0
   41    37    43    46  -0.03850 -1.0 2.0
   41    37    43    46   0.33900  1.0 3.0
   41    45    49    50   1.00000 -1.0 2.0
   41    45    49    57  -0.33500  1.0 1.0
   41    45    49    57   1.06600 -1.0 2.0
   41    45    49    57  -0.14000  1.0 3.0
   41    45    51    52   0.00000  1.0 1.0
   41    45    51    53   0.00000  1.0 1.0
   41    45    51    58   1.44450  1.0 1.0
   41    45    51    58   0.06600 -1.0 2.0
   41    45    51    58   0.29250  1.0 3.0
   42    41    45    49   7.00000 -1.0 2.0
   42    41    45    51   7.00000 -1.0 2.0
   45    49   -57    33   0.65300  1.0 1.0
   45    49   -57    33  -0.03850 -1.0 2.0
   45    49   -57    33   0.33900  1.0 3.0
   45    49    57    63   0.65300  1.0 1.0
   45    49    57    63  -0.03850 -1.0 2.0
   45    49    57    63   0.33900  1.0 3.0
   45    49    57    67   0.65300  1.0 1.0
   45    49    57    67  -0.03850 -1.0 2.0
   45    49    57    67   0.33900  1.0 3.0
   45    51    58    71   0.18050 -1.0 2.0
   45    51    58    84   0.18050 -1.0 2.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    58   0.09700  1.0 1.0
   49    45    51    58   0.15600 -1.0 2.0
   49    45    51    58  -0.50800  1.0 3.0
   49    57    63    64  -0.11250  1.0 3.0
   49    57    63    65  -0.11250  1.0 3.0
   49    57    63    66  -0.11250  1.0 3.0
   49    57    67    68  -0.11250  1.0 3.0
   49    57    67    69  -0.11250  1.0 3.0
   49    57    67    70  -0.11250  1.0 3.0
   50    49    57    33   0.30150 -1.0 2.0
   50    49    57    63   0.30150 -1.0 2.0
   50    49    57    67   0.30150 -1.0 2.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    41   0.34400  1.0 1.0
   57    33   -37    41   0.09450 -1.0 2.0
   57    33   -37    41   0.11100  1.0 3.0
   57    33    37    43  -0.95700  1.0 1.0
   57    33    37    43  -0.18200 -1.0 2.0
   57    33    37    43   0.29450  1.0 3.0
   57    33    39    40  -0.11600  1.0 1.0
   57    33    39    40  -0.09450 -1.0 2.0
   57    33    39    40   0.21250  1.0 3.0
   63    57    67    68   0.15000  1.0 3.0
   63    57    67    69   0.15000  1.0 3.0
   63    57    67    70   0.15000  1.0 3.0
   67    57    63    64   0.15000  1.0 3.0
   67    57    63    65   0.15000  1.0 3.0
   67    57    63    66   0.15000  1.0 3.0
   51    45    49    50  -0.64400  1.0 1.0
   51    45    49    50   0.26850 -1.0 2.0
   51    45    49    57   0.25700  1.0 1.0
   51    45    49    57   0.66200 -1.0 2.0
   51    45    49    57   0.04450  1.0 3.0
   51    58    71    72   3.62500 -1.0 2.0
   51    58    71    73   3.62500 -1.0 2.0
   51    58    84    78   3.62500 -1.0 2.0
   51    58    84    91   3.62500 -1.0 2.0
   52    51    58    71   0.00000  1.0 1.0
   52    51    58    84   0.00000  1.0 1.0
   53    51    58    71   0.00000  1.0 1.0
   53    51    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
   43    37    41    42   0.09700  1.0 1.0
   43    37    41    42   0.15600 -1.0 2.0
   43    37    41    42  -0.50800  1.0 3.0
   43    37    41    45  -0.51250  1.0 1.0
   43    37    41    45  -0.88800 -1.0 2.0
   43    37    41    45   0.08850  1.0 3.0
   43    46    54    55  -0.11250  1.0 3.0
   43    46    54    56  -0.11250  1.0 3.0
   43    46    54    59  -0.95700  1.0 1.0
   43    46    54    59  -0.18200 -1.0 2.0
   43    46    54    59   0.29450  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    54   0.30150 -1.0 2.0
   46    54    59    60   0.15000  1.0 3.0
   46    54    59    61   0.15000  1.0 3.0
   46    54    59    62   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    59   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    59   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41   1.05650  1.0 1.0
   39    33    37    41   0.15600 -1.0 2.0
   39    33    37    41   0.53150  1.0 3.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    57    49  -0.09450  1.0 1.0
   39    33    57    49  -1.12950 -1.0 2.0
   39    33    57    49   0.54000  1.0 3.0
   39    33    57    63   0.86500  1.0 1.0
   39    33    57    63  -0.17500 -1.0 2.0
   39    33    57    63   0.20800  1.0 3.0
   39    33    57    67   0.86500  1.0 1.0
   39    33    57    67  -0.17500 -1.0 2.0
   39    33    57    67   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    42    41    45   1.10000 -1.0 2.0
   49    51    45    41   1.10000 -1.0 2.0
   45    57    49    50  10.50000 -1.0 2.0
   71    84    58    51   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
   37    46    43    44  10.50000 -1.0 2.0
END
