* LIGAND DATABASE FILE (OPLS2005)
*
001     127   130    244    386     728
    1     0 S   NP   _N1_     1    28.25402    95.10753   -23.54350
    2     1 S   H    _HN1     2     1.02950    80.43441    27.74875
    3     1 S   H    _H1_     3     1.02831    29.85961  -179.03490
    4     1 S   H    _H2_     4     1.02785   104.81618   -78.84554
    5     1 S   CT   _CA1     5     1.50099   134.64081   137.07320
    6     5 S   HC   _HA1     6     1.09582   105.21564    80.96020
    7     5 S   CO3  _C1_     7     1.53800   112.34019   -39.24465
    8     7 S   O2Z  _O11     8     1.26370   114.99936   -45.39993
    9     7 S   O2Z  _O12     9     1.26228   114.95268   133.63901
   10     5 S   CT   _CB1    10     1.53098   107.40921  -161.12039
   11    10 S   HC   HB11    11     1.09827   109.38296   -49.88717
   12    10 S   HC   HB12    12     1.09804   110.55136    66.79231
   13    10 S   CT   _CG1    13     1.52914   112.42186  -170.82905
   14    13 S   HC   HG11    14     1.09580   110.59841   -64.56914
   15    13 S   HC   HG12    15     1.09634   109.60400    54.74081
   16    13 S   C    _CD1    16     1.51693   112.49622   174.66663
   17    16 S   O    _OE1    17     1.22692   123.23536     1.05146
   18    16 S   N    _N2_    18     1.38636   111.58487  -178.35491
   19    18 S   H    _HN2    19     1.01590   118.69357     0.71873
   20    18 S   CT1  _CA2    20     1.46127   123.48424   176.30737
   21    20 S   HC   _HA2    21     1.09671   109.20688     2.19499
   22    20 S   C    _C2_    22     1.53424   108.33957  -112.82911
   23    22 S   O    _O2_    23     1.23009   122.58964  -143.56270
   24    20 S   CT   _CB2    32     1.53290   112.06998   124.07860
   25    24 S   HC   HB21    33     1.09388   110.49149    53.84638
   26    24 S   HC   HB22    34     1.09114   109.19347   172.46126
   27    22 S   N    _N3_    24     1.38332   113.38767    43.99493
   28    27 S   H    _HN3    25     1.01591   119.59187    -4.16565
   29    24 S   S    _SG2    35     1.82887   110.83032   -67.17063
   30    27 S   CT   _CA3    26     1.45203   123.12665   175.87422
   31    30 S   HC   HA31    27     1.09560   107.68940   -58.05869
   32    30 S   HC   HA32    28     1.09546   107.79787    58.40770
   33    29 S   CT   _C13    36     1.87215   101.44868  -166.71350
   34    30 S   CO3  _C3_    29     1.52886   113.96813  -179.94065
   35    34 S   O2Z  _O31    30     1.26372   115.99239    -6.65705
   36    34 S   O2Z  _O32    31     1.26392   114.45189   173.65764
   37    33 S   CM   _C15    37     1.53336   106.64443   -65.60710
   38    37 S   HC   _H23    38     1.09463   112.42014   -51.19696
   39    33 S   CT   _C14    94     1.54407   105.38246  -178.57056
   40    39 S   HC   _H20    95     1.09568   112.47741   -58.47551
   41    39 S   HC   _H21    96     1.09776   112.23626    62.38458
   42    39 S   HC   _H22    97     1.09712   110.63251  -178.39136
   43    33 S   CT   _C12    98     1.55643   111.59847    63.06119
   44    43 S   HC   _H18    99     1.09950   108.47604   174.40816
   45    43 S   HC   _H19   100     1.09651   109.91645   -70.46462
   46    37 S   CMA  _C16    39     1.35635   132.32105   129.50317
   47    46 S   OM   _O33    40     1.26594   126.95632     0.71655
   48    43 S   CT   _C11   101     1.53837   116.93395    53.15215
   49    48 S   HC   _H16   102     1.09584   110.30118    63.69777
   50    48 S   HC   _H17   103     1.09319   111.83680   -53.93312
   51    46 S   OS   _O34    41     1.42418   109.07234   179.74821
   52    48 S   CM   _C10   104     1.50642   110.77182  -177.24914
   53    52 S   HC   _H15   105     1.08899   114.48171   -82.72312
   54    51 S   CT   _C17    42     1.42401   114.91102   155.19359
   55    54 S   HC   _H24    43     1.09413   111.43845   -50.65101
   56    54 S   HC   _H25    44     1.09600   111.13598    71.83311
   57    52 S   CM   _C9_   106     1.34796   126.97912    97.85280
   58    54 S   CO4  _C18    45     1.51616   106.31631  -171.04904
   59    58 S   O    _O35    46     1.23338   120.07941   -66.99052
   60    57 S   CT   _C38   107     1.50589   120.36793   179.46186
   61    60 S   HC   _H47   108     1.09491   110.30157   121.02614
   62    60 S   HC   _H48   109     1.09523   112.28475     1.15995
   63    60 S   HC   _H49   110     1.09437   110.54959  -118.87613
   64    57 S   CT   _C8_   111     1.51375   124.13356    -2.86300
   65    64 S   HC   _H13   112     1.09484   110.76347   -17.47235
   66    64 S   HC   _H14   113     1.09825   108.92575  -132.42283
   67    58 S   CT   _C19    47     1.53669   118.09111   111.27747
   68    64 S   CT   _C7_   114     1.53140   112.47912   105.45772
   69    68 S   HC   _H11   115     1.09368   110.09532   -48.89745
   70    68 S   HC   _H12   116     1.09708   109.88088    67.35603
   71    67 S   CT   _C20    48     1.55515   113.36805   168.79008
   72    71 S   HC   _H26    49     1.09515   113.03881    25.74726
   73    71 S   HC   _H27    50     1.09618   111.50360   -95.14346
   74    67 S   OH   _O38    92     1.42790   106.99818    50.44253
   75    74 S   HO   _H46    93     0.97283   108.21269    64.30321
   76    68 S   CM   _C6_   117     1.50426   110.95070  -173.47658
   77    76 S   HC   _H10   118     1.08976   114.09907   -67.02115
   78    71 S   CT   _C21    51     1.54140   106.57772   145.07339
   79    78 S   HC   _H28    52     1.09488   111.04960   129.81236
   80    78 S   HC   _H29    53     1.09589   110.40739  -110.97235
   81    76 S   CM   _C5_   119     1.34679   127.90363   113.79093
   82    78 S   CT   _C22    54     1.52461   104.38462     8.92500
   83    82 S   HC   _H3_    55     1.10257   105.95229    78.82645
   84    81 S   CT   _C4_   120     1.50628   120.43799   179.02341
   85    84 S   HC   _H7_   121     1.09469   110.34057   121.44132
   86    84 S   HC   _H8_   122     1.09507   112.44091     1.31314
   87    84 S   HC   _H9_   123     1.09489   110.16484  -118.85493
   88    81 S   CT   _C39   124     1.50276   125.29197    -1.38027
   89    88 S   HC   _H50   125     1.09484   110.03481   113.81845
   90    88 S   HC   _H51   126     1.09164   113.71066    -7.33701
   91    88 S   HC   _H52   127     1.09454   110.14245  -126.95609
   92    82 S   CT   _C27    56     1.53636   118.53489  -162.36570
   93    92 S   HC   _H6_    57     1.09463   109.51281    62.33652
   94    92 S   CT   _C28    58     1.53998   110.38688   -55.59751
   95    94 S   HC   _H32    59     1.09638   110.02171    63.94415
   96    94 S   HC   _H33    60     1.09822   109.74002   -53.11555
   97    92 S   CT   _C26    74     1.56896   108.95658  -177.83762
   98    97 S   HC   _H5_    75     1.10377   105.45483    61.37307
   99    94 S   CT   _C29    61     1.52353   112.43099  -174.89063
  100    99 S   HC   _H34    62     1.09592   110.19240   -67.75050
  101    99 S   HC   _H35    63     1.09690   108.82441   176.29123
  102    97 S   CT   _C25    76     1.56033   111.88755   -51.50115
  103   102 S   HC   _H4_    77     1.09557   108.96640   167.32382
  104    99 S   CM   _C30    64     1.50712   110.30575    53.80089
  105   102 S   CT   _C24    78     1.54490   113.22002    48.62421
  106   105 S   HC   _H30    79     1.09699   107.55986    70.24259
  107   105 S   HC   _H31    80     1.09462   109.28201  -174.30749
  108   102 S   OH   _O37    86     1.42115   111.30010   -75.77703
  109   108 S   HO   _H42    87     0.97249   108.34232   170.02234
  110   104 S   CM   _C31    65     1.34259   120.21264   121.08287
  111   110 S   HC   _H36    66     1.08465   122.00023     1.56047
  112    67 S   CT   _C23    81     1.56129   114.77662   -72.84276
  113   110 S   CO4  _C32    67     1.47682   121.51112  -177.52338
  114   113 S   O    _O36    68     1.22606   121.07676  -179.19400
  115   112 S   CT   _C37    82     1.55321   109.60136   -45.77514
  116   115 S   HC   _H43    83     1.09484   112.55798   -41.33987
  117   115 S   HC   _H44    84     1.09141   113.26945  -161.63343
  118   115 S   HC   _H45    85     1.09511   110.75691    78.23707
  119   113 S   CM   _C33    69     1.47412   117.68290     1.12082
  120   119 S   HC   _H37    70     1.08342   117.74346   179.61134
  121   119 S   CM   _C34    71     1.33714   120.60647    -1.10818
  122   121 S   HC   _H38    72     1.08729   117.10667  -178.41464
  123   104 S   CT   _C35    73     1.53382   115.99020   -56.89986
  124   123 S   CT   _C36    88     1.54480   107.93236   -67.46128
  125   124 S   HC   _H39    89     1.09394   112.77619    71.05302
  126   124 S   HC   _H40    90     1.09813   111.09747   -49.05156
  127   124 S   HC   _H41    91     1.09338   112.31726  -167.71438
  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  12   5   4   3
  16   2   1   1  13   5   8   3   2   1   9   5   4   6   2   7
   4   3   6  10   3   8   4   3  11  12   4   7   3   2   1   8
   5   4  20   7   4   3  13   7   6   6   1  10   3  11   5   4
   8  19   7   7   3   2   1   3   2   1   1  19   9  12   6   5
  20   8   9   4   3  12   7  12  10   4   3   3   1   8   4   4
   6   3   3   2   1   1   5   3   6   2   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50    52  
   35    36  
   36  
    0  
   38    46    47    51    54    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    52    53    57    46  
   45    48    49    50    52  
   48    49    50    52  
   47    51    54    55    56    58  
   51    54  
   49    50    52    53    57    60    64  
   50    52    53    57  
   52    53    57  
   54    55    56    58    59    67  
   53    57    60    61    62    63    64    65    66    68  
   57    60    64  
   55    56    58    59    67    71   112    74  
   56    58    59    67  
   58    59    67  
   60    61    62    63    64    65    66    68    69    70    76  
   59    67    71    72    73    78    82   105   112   115    74    75  
   67    71   112    74  
   61    62    63    64    65    66    68  
   62    63    64  
   63    64  
   64  
   65    66    68    69    70    76    77    81  
   66    68    69    70    76  
   68    69    70    76  
   71    72    73    78    79    80    82    83    92   102   105   106   107   112   115   116   117   118    74    75  
   69    70    76    77    81    84    88  
   70    76    77    81  
   76    77    81  
   72    73    78    79    80    82    83    92   105   112   115    74    75  
   73    78    79    80    82   112    74  
   78    79    80    82   112    74  
   75    78    82   105   112   115  
  112  
   77    81    84    85    86    87    88    89    90    91  
   81    84    88  
   79    80    82    83    92    93    94    97   105   112   115  
   80    82    83    92   112  
   82    83    92   112  
   84    85    86    87    88    89    90    91  
   83    92    93    94    95    96    99   123    97    98   102   105   106   107   112   115   116   117   118  
   92    93    94    97   105   112   115  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    99   100   101   104   121   123    97    98   102   103   105   112   115   108   124  
   94    95    96    99   123    97    98   102   112  
   95    96    99   100   101   104   110   123    97    98   102   112  
   96    99   100   101   104    97  
   99   100   101   104    97  
   98   102   103   105   106   107   112   108   109   124   125   126   127    99   104   110   119   121   122   123  
  102   103   105   108   124   104   121   123  
  100   101   104   110   111   113   121   123   124  
  101   104   110   123  
  104   110   123  
  103   105   106   107   112   115   108   109   124   104   121   123  
  105   106   107   112   108   109   123  
  110   111   113   114   119   121   122   123   124   125   126   127  
  106   107   112   115   116   117   118   108   109   123  
  107   112   115   108  
  112   115   108  
  109   112   123  
    0  
  111   113   114   119   120   121   123   124  
  113   114   119   123  
  115   116   117   118  
  114   119   120   121   122   123  
  119   120   121  
  116   117   118  
  117   118  
  118  
    0  
  120   121   122   123   124  
  121   122   123  
  122   123   124   125   126   127  
  123   124  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.188000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  113   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  120   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  121   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  122   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  123   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    51   440.000  1.360
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   317.000  1.522
   58    59   570.000  1.229
   58    67   317.000  1.522
   67    71   268.000  1.529
   67   112   268.000  1.529
   67    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    92   268.000  1.529
   82   112   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   104   317.000  1.510
  104   110   549.000  1.340
  104   123   317.000  1.510
  110   111   340.000  1.080
  110   113   320.000  1.462
  113   114   570.000  1.229
  113   119   320.000  1.462
  119   120   340.000  1.080
  119   121   549.000  1.340
  121   122   340.000  1.080
  121   123   317.000  1.510
  123    97   268.000  1.529
  123   124   268.000  1.529
   97    98   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   105   268.000  1.529
  102   108   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   112   268.000  1.529
  112   115   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  108   109   553.000  0.945
  124   125   340.000  1.090
  124   126   340.000  1.090
  124   127   340.000  1.090
   74    75   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    60   317.000  1.510
   57    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   317.000  1.510
   76    77   340.000  1.080
   76    81   549.000  1.340
   81    84   317.000  1.510
   81    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   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    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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    51    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    51    54    90.00000  111.18400
   51    46    47    65.00000  121.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    58    90.00000  108.74100
   54    58    59    80.00000  120.40000
   54    58    67    70.00000  116.00000
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   58    67    71    63.00000  111.10000
   58    67   112    63.00000  111.10000
   58    67    74    90.00000  109.61100
   67    58    59    80.00000  120.40000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    78    58.35000  112.70000
   67   112    82    58.35000  112.70000
   67   112   105    58.35000  112.70000
   67   112   115    58.35000  112.70000
   67    74    75    55.00000  108.50000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    82    83    37.50000  110.70000
   78    82    92    58.35000  112.70000
   78    82   112    58.35000  112.70000
   80    78    79    33.00000  107.80000
   82    78    79    37.50000  110.70000
   82    78    80    37.50000  110.70000
   82    92    93    37.50000  110.70000
   82    92    94    58.35000  112.70000
   82    92    97    58.35000  112.70000
   82   112   105    58.35000  112.70000
   82   112   115    58.35000  112.70000
   92    82    83    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    99    58.35000  112.70000
   92    97   123    58.35000  112.70000
   92    97    98    37.50000  110.70000
   92    97   102    58.35000  112.70000
   94    92    93    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   104    70.00000  112.02700
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   104   110    70.00000  124.00000
   99   104   123    65.00000  117.92700
  101    99   100    33.00000  107.80000
  104    99   100    35.00000  109.50000
  104    99   101    35.00000  109.50000
  104   110   111    35.00000  120.00000
  104   110   113    65.00000  118.96000
  104   123   121    70.00000  110.12100
  104   123    97    70.00000  112.02700
  104   123   124    70.00000  112.02700
  110   113   114    80.00000  123.72100
  110   113   119    65.00000  118.65900
  113   110   111    40.00000  117.72500
  113   119   120    40.00000  117.72500
  113   119   121    65.00000  118.96000
  119   113   114    80.00000  123.72100
  119   121   122    35.00000  120.00000
  119   121   123    70.00000  124.00000
  121   119   120    35.00000  120.00000
  121   123    97    70.00000  112.02700
  121   123   124    70.00000  112.02700
  123   104   110    70.00000  124.00000
  123   121   122    35.00000  117.00000
  123    97    98    37.50000  110.70000
  123    97   102    58.35000  112.70000
  123   124   125    37.50000  110.70000
  123   124   126    37.50000  110.70000
  123   124   127    37.50000  110.70000
   97    92    93    37.50000  110.70000
   97    92    94    58.35000  112.70000
   97   102   103    37.50000  110.70000
   97   102   105    58.35000  112.70000
   97   102   108    50.00000  109.50000
  102    97    98    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   112    58.35000  112.70000
  102   108   109    55.00000  108.50000
  105   102   103    37.50000  110.70000
  105   112   115    58.35000  112.70000
  107   105   106    33.00000  107.80000
  112    67    71    58.35000  112.70000
  112    82    83    37.50000  110.70000
  112    82    92    58.35000  112.70000
  112   105   106    37.50000  110.70000
  112   105   107    37.50000  110.70000
  112   115   116    37.50000  110.70000
  112   115   117    37.50000  110.70000
  112   115   118    37.50000  110.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  108   102   103    35.00000  109.50000
  108   102   105    50.00000  109.50000
  124   123    97    58.35000  112.70000
  126   124   125    33.00000  107.80000
  127   124   125    33.00000  107.80000
  127   124   126    33.00000  107.80000
   74    67    71    50.00000  109.50000
   74    67   112    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    57    70.00000  124.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    60    70.00000  124.00000
   52    57    64    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    68    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    60    65.00000  117.92700
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    76    70.00000  112.02700
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    76    77    35.00000  117.00000
   68    76    81    70.00000  124.00000
   70    68    69    33.00000  107.80000
   76    68    69    35.00000  109.50000
   76    68    70    35.00000  109.50000
   76    81    84    70.00000  124.00000
   76    81    88    70.00000  124.00000
   81    76    77    35.00000  120.00000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   81    88    89    35.00000  109.50000
   81    88    90    35.00000  109.50000
   81    88    91    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    81    84    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.44750  1.0 1.0
   29    33    43    48  -0.17800 -1.0 2.0
   29    33    43    48   0.20200  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.15000  1.0 3.0
   33    43    48    50   0.15000  1.0 3.0
   33    43    48    52   0.34400  1.0 1.0
   33    43    48    52   0.09450 -1.0 2.0
   33    43    48    52   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.34400  1.0 1.0
   37    33    43    48   0.09450 -1.0 2.0
   37    33    43    48   0.11100  1.0 3.0
   37    46    51    54  -2.26850  1.0 1.0
   37    46    51    54   3.39050 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    54    55   0.08050  1.0 3.0
   46    51    54    56   0.08050  1.0 3.0
   46    51    54    58  -0.48150  1.0 1.0
   46    51    54    58   0.09250 -1.0 2.0
   46    51    54    58  -0.12850  1.0 3.0
   47    46    51    54   2.00000 -1.0 2.0
   51    54    58    59   0.30150 -1.0 2.0
   51    54    58    67   0.55300  1.0 1.0
   51    54    58    67   1.25850 -1.0 2.0
   51    54    58    67  -0.23600  1.0 3.0
   54    58    67    71   0.60050  1.0 1.0
   54    58    67    71   0.05600 -1.0 2.0
   54    58    67    71   0.26150  1.0 3.0
   54    58    67   112   0.60050  1.0 1.0
   54    58    67   112   0.05600 -1.0 2.0
   54    58    67   112   0.26150  1.0 3.0
   54    58    67    74   0.55300  1.0 1.0
   54    58    67    74   1.25850 -1.0 2.0
   54    58    67    74  -0.23600  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67   0.00000  1.0 1.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    67   0.00000  1.0 1.0
   58    67    71    72  -0.11250  1.0 3.0
   58    67    71    73  -0.11250  1.0 3.0
   58    67    71    78  -0.95700  1.0 1.0
   58    67    71    78  -0.18200 -1.0 2.0
   58    67    71    78   0.29450  1.0 3.0
   58    67   112    82  -0.95700  1.0 1.0
   58    67   112    82  -0.18200 -1.0 2.0
   58    67   112    82   0.29450  1.0 3.0
   58    67   112   105  -0.95700  1.0 1.0
   58    67   112   105  -0.18200 -1.0 2.0
   58    67   112   105   0.29450  1.0 3.0
   58    67   112   115  -0.95700  1.0 1.0
   58    67   112   115  -0.18200 -1.0 2.0
   58    67   112   115   0.29450  1.0 3.0
   58    67    74    75   0.91850  1.0 1.0
   58    67    74    75   0.57950  1.0 3.0
   59    58    67    71   0.30150 -1.0 2.0
   59    58    67   112   0.30150 -1.0 2.0
   59    58    67    74   0.30150 -1.0 2.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71   -78    82   0.56750  1.0 1.0
   67    71   -78    82  -0.07550 -1.0 2.0
   67    71   -78    82   0.20000  1.0 3.0
   67   112   115   116   0.15000  1.0 3.0
   67   112   115   117   0.15000  1.0 3.0
   67   112   115   118   0.15000  1.0 3.0
   71    67  -112    82   0.56750  1.0 1.0
   71    67  -112    82  -0.07550 -1.0 2.0
   71    67  -112    82   0.20000  1.0 3.0
   71    67   112   105   0.56750  1.0 1.0
   71    67   112   105  -0.07550 -1.0 2.0
   71    67   112   105   0.20000  1.0 3.0
   71    67   112   115   0.56750  1.0 1.0
   71    67   112   115  -0.07550 -1.0 2.0
   71    67   112   115   0.20000  1.0 3.0
   71    67    74    75  -0.11600  1.0 1.0
   71    67    74    75  -0.09450 -1.0 2.0
   71    67    74    75   0.21250  1.0 3.0
   71    78    82    83   0.15000  1.0 3.0
   71    78    82    92   0.56750  1.0 1.0
   71    78    82    92  -0.07550 -1.0 2.0
   71    78    82    92   0.20000  1.0 3.0
   71    78   -82   112   0.56750  1.0 1.0
   71    78   -82   112  -0.07550 -1.0 2.0
   71    78   -82   112   0.20000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    82   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    82   0.15000  1.0 3.0
   78    82    92    93   0.15000  1.0 3.0
   78    82    92    94   0.56750  1.0 1.0
   78    82    92    94  -0.07550 -1.0 2.0
   78    82    92    94   0.20000  1.0 3.0
   78    82    92    97   0.56750  1.0 1.0
   78    82    92    97  -0.07550 -1.0 2.0
   78    82    92    97   0.20000  1.0 3.0
   78    82  -112    67   0.56750  1.0 1.0
   78    82  -112    67  -0.07550 -1.0 2.0
   78    82  -112    67   0.20000  1.0 3.0
   78    82   112   105   0.56750  1.0 1.0
   78    82   112   105  -0.07550 -1.0 2.0
   78    82   112   105   0.20000  1.0 3.0
   78    82   112   115   0.56750  1.0 1.0
   78    82   112   115  -0.07550 -1.0 2.0
   78    82   112   115   0.20000  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    92   0.15000  1.0 3.0
   79    78    82   112   0.15000  1.0 3.0
   80    78    82    83   0.15000  1.0 3.0
   80    78    82    92   0.15000  1.0 3.0
   80    78    82   112   0.15000  1.0 3.0
   82    92    94    95   0.15000  1.0 3.0
   82    92    94    96   0.15000  1.0 3.0
   82    92    94    99   0.56750  1.0 1.0
   82    92    94    99  -0.07550 -1.0 2.0
   82    92    94    99   0.20000  1.0 3.0
   82    92    97   123   0.56750  1.0 1.0
   82    92    97   123  -0.07550 -1.0 2.0
   82    92    97   123   0.20000  1.0 3.0
   82    92    97    98   0.15000  1.0 3.0
   82    92    97   102   0.56750  1.0 1.0
   82    92    97   102  -0.07550 -1.0 2.0
   82    92    97   102   0.20000  1.0 3.0
   82   112   115   116   0.15000  1.0 3.0
   82   112   115   117   0.15000  1.0 3.0
   82   112   115   118   0.15000  1.0 3.0
   83    82    92    93   0.15000  1.0 3.0
   83    82    92    94   0.15000  1.0 3.0
   83    82    92    97   0.15000  1.0 3.0
   83    82   112    67   0.15000  1.0 3.0
   83    82   112   105   0.15000  1.0 3.0
   83    82   112   115   0.15000  1.0 3.0
   92    82   112    67   0.56750  1.0 1.0
   92    82   112    67  -0.07550 -1.0 2.0
   92    82   112    67   0.20000  1.0 3.0
   92    82   112   105   0.56750  1.0 1.0
   92    82   112   105  -0.07550 -1.0 2.0
   92    82   112   105   0.20000  1.0 3.0
   92    82   112   115   0.56750  1.0 1.0
   92    82   112   115  -0.07550 -1.0 2.0
   92    82   112   115   0.20000  1.0 3.0
   92    94    99   100   0.15000  1.0 3.0
   92    94    99   101   0.15000  1.0 3.0
   92    94    99   104   0.34400  1.0 1.0
   92    94    99   104   0.09450 -1.0 2.0
   92    94    99   104   0.11100  1.0 3.0
   92    97   102   103   0.15000  1.0 3.0
   92    97  -102   105   0.56750  1.0 1.0
   92    97  -102   105  -0.07550 -1.0 2.0
   92    97  -102   105   0.20000  1.0 3.0
   92    97   102   108   0.86500  1.0 1.0
   92    97   102   108  -0.17500 -1.0 2.0
   92    97   102   108   0.20800  1.0 3.0
   93    92    94    95   0.15000  1.0 3.0
   93    92    94    96   0.15000  1.0 3.0
   93    92    94    99   0.15000  1.0 3.0
   93    92    97   123   0.15000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97   102   0.15000  1.0 3.0
   94    92    97   123   0.56750  1.0 1.0
   94    92    97   123  -0.07550 -1.0 2.0
   94    92    97   123   0.20000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97   102   0.56750  1.0 1.0
   94    92    97   102  -0.07550 -1.0 2.0
   94    92    97   102   0.20000  1.0 3.0
   94    99   104   110   0.09850  1.0 1.0
   94    99   104   110   0.15250 -1.0 2.0
   94    99   104   110  -0.50650  1.0 3.0
   94    99  -104   123   0.46850  1.0 1.0
   94    99  -104   123   0.08550 -1.0 2.0
   94    99  -104   123   0.09800  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   104   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   104   0.15000  1.0 3.0
   99   104   110   111   7.00000 -1.0 2.0
   99   104   110   113   7.00000 -1.0 2.0
   99   104   123   121   0.09700  1.0 1.0
   99   104   123   121   0.15600 -1.0 2.0
   99   104   123   121  -0.50800  1.0 3.0
   99   104   123    97   0.46850  1.0 1.0
   99   104   123    97   0.08550 -1.0 2.0
   99   104   123    97   0.09800  1.0 3.0
   99   104   123   124   0.46850  1.0 1.0
   99   104   123   124   0.08550 -1.0 2.0
   99   104   123   124   0.09800  1.0 3.0
  100    99   104   110   0.00000  1.0 1.0
  100    99   104   123   0.34800  1.0 3.0
  101    99   104   110   0.00000  1.0 1.0
  101    99   104   123   0.34800  1.0 3.0
  104   110   113   114   1.00000 -1.0 2.0
  104   110   113   119  -1.18350  1.0 1.0
  104   110   113   119   1.45950 -1.0 2.0
  104   123   -97    92   0.34400  1.0 1.0
  104   123   -97    92   0.09450 -1.0 2.0
  104   123   -97    92   0.11100  1.0 3.0
  104   123    97    98   0.15000  1.0 3.0
  104   123    97   102   0.34400  1.0 1.0
  104   123    97   102   0.09450 -1.0 2.0
  104   123    97   102   0.11100  1.0 3.0
  104   123   124   125   0.15000  1.0 3.0
  104   123   124   126   0.15000  1.0 3.0
  104   123   124   127   0.15000  1.0 3.0
  110   104   123   121  -0.28300  1.0 1.0
  110   104   123   121   0.26700 -1.0 2.0
  110   104   123   121  -0.63300  1.0 3.0
  110   104   123    97   0.09850  1.0 1.0
  110   104   123    97   0.15250 -1.0 2.0
  110   104   123    97  -0.50650  1.0 3.0
  110   104   123   124   0.09850  1.0 1.0
  110   104   123   124   0.15250 -1.0 2.0
  110   104   123   124  -0.50650  1.0 3.0
  110   113   119   120   0.93700 -1.0 2.0
  110   113  -119   121  -1.18350  1.0 1.0
  110   113  -119   121   1.45950 -1.0 2.0
  111   110   113   114   0.00000  1.0 1.0
  111   110   113   119   0.93700 -1.0 2.0
  113   119   121   122   7.00000 -1.0 2.0
  113   119   121   123   7.00000 -1.0 2.0
  114   113   119   120   0.00000  1.0 1.0
  114   113   119   121   1.00000 -1.0 2.0
  119   121  -123   104  -0.28300  1.0 1.0
  119   121  -123   104   0.26700 -1.0 2.0
  119   121  -123   104  -0.63300  1.0 3.0
  119   121   123    97   0.09850  1.0 1.0
  119   121   123    97   0.15250 -1.0 2.0
  119   121   123    97  -0.50650  1.0 3.0
  119   121   123   124   0.09850  1.0 1.0
  119   121   123   124   0.15250 -1.0 2.0
  119   121   123   124  -0.50650  1.0 3.0
  120   119   121   122   7.00000 -1.0 2.0
  120   119   121   123   7.00000 -1.0 2.0
  121   123    97    92   0.34400  1.0 1.0
  121   123    97    92   0.09450 -1.0 2.0
  121   123    97    92   0.11100  1.0 3.0
  121   123    97    98   0.15000  1.0 3.0
  121   123    97   102   0.34400  1.0 1.0
  121   123    97   102   0.09450 -1.0 2.0
  121   123    97   102   0.11100  1.0 3.0
  121   123   124   125   0.15000  1.0 3.0
  121   123   124   126   0.15000  1.0 3.0
  121   123   124   127   0.15000  1.0 3.0
  122   121   123   104   0.00000  1.0 1.0
  122   121   123    97   0.00000  1.0 1.0
  122   121   123   124   0.00000  1.0 1.0
  123   104   110   111   7.00000 -1.0 2.0
  123   104  -110   113   7.00000 -1.0 2.0
  123    97   102   103   0.15000  1.0 3.0
  123    97   102   105   0.56750  1.0 1.0
  123    97   102   105  -0.07550 -1.0 2.0
  123    97   102   105   0.20000  1.0 3.0
  123    97   102   108   0.86500  1.0 1.0
  123    97   102   108  -0.17500 -1.0 2.0
  123    97   102   108   0.20800  1.0 3.0
   97    92    94    95   0.15000  1.0 3.0
   97    92    94    96   0.15000  1.0 3.0
   97    92   -94    99   0.56750  1.0 1.0
   97    92   -94    99  -0.07550 -1.0 2.0
   97    92   -94    99   0.20000  1.0 3.0
   97   123   124   125   0.15000  1.0 3.0
   97   123   124   126   0.15000  1.0 3.0
   97   123   124   127   0.15000  1.0 3.0
   97   102   105   106   0.15000  1.0 3.0
   97   102   105   107   0.15000  1.0 3.0
   97   102   105   112   0.56750  1.0 1.0
   97   102   105   112  -0.07550 -1.0 2.0
   97   102   105   112   0.20000  1.0 3.0
   97   102   108   109  -0.11600  1.0 1.0
   97   102   108   109  -0.09450 -1.0 2.0
   97   102   108   109   0.21250  1.0 3.0
   98    97   102   103   0.15000  1.0 3.0
   98    97   102   105   0.15000  1.0 3.0
   98    97   102   108   0.23400  1.0 3.0
  102   105   112    67   0.56750  1.0 1.0
  102   105   112    67  -0.07550 -1.0 2.0
  102   105   112    67   0.20000  1.0 3.0
  102   105  -112    82   0.56750  1.0 1.0
  102   105  -112    82  -0.07550 -1.0 2.0
  102   105  -112    82   0.20000  1.0 3.0
  102   105   112   115   0.56750  1.0 1.0
  102   105   112   115  -0.07550 -1.0 2.0
  102   105   112   115   0.20000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   112   0.15000  1.0 3.0
  103   102   108   109   0.19450  1.0 3.0
  105   102   108   109  -0.11600  1.0 1.0
  105   102   108   109  -0.09450 -1.0 2.0
  105   102   108   109   0.21250  1.0 3.0
  105   112   115   116   0.15000  1.0 3.0
  105   112   115   117   0.15000  1.0 3.0
  105   112   115   118   0.15000  1.0 3.0
  106   105   112    67   0.15000  1.0 3.0
  106   105   112    82   0.15000  1.0 3.0
  106   105   112   115   0.15000  1.0 3.0
  107   105   112    67   0.15000  1.0 3.0
  107   105   112    82   0.15000  1.0 3.0
  107   105   112   115   0.15000  1.0 3.0
  112    67    71    72   0.15000  1.0 3.0
  112    67    71    73   0.15000  1.0 3.0
  112    67   -71    78   0.56750  1.0 1.0
  112    67   -71    78  -0.07550 -1.0 2.0
  112    67   -71    78   0.20000  1.0 3.0
  112    67    74    75  -0.11600  1.0 1.0
  112    67    74    75  -0.09450 -1.0 2.0
  112    67    74    75   0.21250  1.0 3.0
  112    82    92    93   0.15000  1.0 3.0
  112    82    92    94   0.56750  1.0 1.0
  112    82    92    94  -0.07550 -1.0 2.0
  112    82    92    94   0.20000  1.0 3.0
  112    82   -92    97   0.56750  1.0 1.0
  112    82   -92    97  -0.07550 -1.0 2.0
  112    82   -92    97   0.20000  1.0 3.0
  108   102   105   106   0.23400  1.0 3.0
  108   102   105   107   0.23400  1.0 3.0
  108   102   105   112   0.86500  1.0 1.0
  108   102   105   112  -0.17500 -1.0 2.0
  108   102   105   112   0.20800  1.0 3.0
  124   123    97    92   0.56750  1.0 1.0
  124   123    97    92  -0.07550 -1.0 2.0
  124   123    97    92   0.20000  1.0 3.0
  124   123    97    98   0.15000  1.0 3.0
  124   123    97   102   0.56750  1.0 1.0
  124   123    97   102  -0.07550 -1.0 2.0
  124   123    97   102   0.20000  1.0 3.0
   74    67    71    72   0.23400  1.0 3.0
   74    67    71    73   0.23400  1.0 3.0
   74    67    71    78   0.86500  1.0 1.0
   74    67    71    78  -0.17500 -1.0 2.0
   74    67    71    78   0.20800  1.0 3.0
   74    67   112    82   0.86500  1.0 1.0
   74    67   112    82  -0.17500 -1.0 2.0
   74    67   112    82   0.20800  1.0 3.0
   74    67   112   105   0.86500  1.0 1.0
   74    67   112   105  -0.17500 -1.0 2.0
   74    67   112   105   0.20800  1.0 3.0
   74    67   112   115   0.86500  1.0 1.0
   74    67   112   115  -0.17500 -1.0 2.0
   74    67   112   115   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.56750  1.0 1.0
   39    33    43    48  -0.07550 -1.0 2.0
   39    33    43    48   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    57   0.09850  1.0 1.0
   43    48    52    57   0.15250 -1.0 2.0
   43    48    52    57  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.15000  1.0 3.0
   48    52    57    60   7.00000 -1.0 2.0
   48    52    57    64   7.00000 -1.0 2.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    57   0.00000  1.0 1.0
   50    48    52    53   0.33100  1.0 3.0
   50    48    52    57   0.00000  1.0 1.0
   52    57    60    61   0.00000  1.0 1.0
   52    57    60    62   0.00000  1.0 1.0
   52    57    60    63   0.00000  1.0 1.0
   52    57    64    65   0.00000  1.0 1.0
   52    57    64    66   0.00000  1.0 1.0
   52    57    64    68   0.09850  1.0 1.0
   52    57    64    68   0.15250 -1.0 2.0
   52    57    64    68  -0.50650  1.0 3.0
   53    52    57    60   7.00000 -1.0 2.0
   53    52    57    64   7.00000 -1.0 2.0
   57    64    68    69   0.15000  1.0 3.0
   57    64    68    70   0.15000  1.0 3.0
   57    64    68    76   0.31000  1.0 1.0
   57    64    68    76   0.14700 -1.0 2.0
   57    64    68    76   0.07550  1.0 3.0
   60    57    64    65   0.34800  1.0 3.0
   60    57    64    66   0.34800  1.0 3.0
   60    57    64    68   0.46850  1.0 1.0
   60    57    64    68   0.08550 -1.0 2.0
   60    57    64    68   0.09800  1.0 3.0
   64    57    60    61   0.34800  1.0 3.0
   64    57    60    62   0.34800  1.0 3.0
   64    57    60    63   0.34800  1.0 3.0
   64    68    76    77   0.00000  1.0 1.0
   64    68    76    81   0.09850  1.0 1.0
   64    68    76    81   0.15250 -1.0 2.0
   64    68    76    81  -0.50650  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    76   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   66    64    68    76   0.15000  1.0 3.0
   68    76    81    84   7.00000 -1.0 2.0
   68    76    81    88   7.00000 -1.0 2.0
   69    68    76    77   0.33100  1.0 3.0
   69    68    76    81   0.00000  1.0 1.0
   70    68    76    77   0.33100  1.0 3.0
   70    68    76    81   0.00000  1.0 1.0
   76    81    84    85   0.00000  1.0 1.0
   76    81    84    86   0.00000  1.0 1.0
   76    81    84    87   0.00000  1.0 1.0
   76    81    88    89   0.00000  1.0 1.0
   76    81    88    90   0.00000  1.0 1.0
   76    81    88    91   0.00000  1.0 1.0
   77    76    81    84   7.00000 -1.0 2.0
   77    76    81    88   7.00000 -1.0 2.0
   84    81    88    89   0.34800  1.0 3.0
   84    81    88    90   0.34800  1.0 3.0
   84    81    88    91   0.34800  1.0 3.0
   88    81    84    85   0.34800  1.0 3.0
   88    81    84    86   0.34800  1.0 3.0
   88    81    84    87   0.34800  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
   33    38    37    46  15.00000 -1.0 2.0
   47    51    46    37  15.00000 -1.0 2.0
   54    67    58    59  10.50000 -1.0 2.0
   99   123   104   110   1.10000 -1.0 2.0
  113   111   110   104   1.10000 -1.0 2.0
  110   119   113   114  10.50000 -1.0 2.0
  113   120   119   121   1.10000 -1.0 2.0
  123   122   121   119   1.10000 -1.0 2.0
   48    53    52    57  15.00000 -1.0 2.0
   60    64    57    52  15.00000 -1.0 2.0
   68    77    76    81  15.00000 -1.0 2.0
   84    88    81    76  15.00000 -1.0 2.0
END
