* LIGAND DATABASE FILE (OPLS2005)
*
001     120   125    226    355     652
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    36.05651   133.98081
    3     1 S   H    _H1_     3     1.02147    80.16939   -83.70646
    4     1 S   H    _H2_     4     1.02075    98.61054    23.94231
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C37    36     1.81495    98.36006   161.83747
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5BC _C15    37     1.48746   110.27903   -60.02490
   38    33 S   CM   _C34    78     1.54556   111.26239    53.48231
   39    33 S   OH   _O39   119     1.42067   112.38374   177.32672
   40    39 S   HO   _H38   120     0.97137   106.84145  -176.91771
   41    37 S   C5BC _C14    38     1.42649   141.81072   -64.91060
   42    41 S   C5A  _C13    39     1.48456   103.44411  -178.64867
   43    41 S   CT   _C38   115     1.46984   127.71016    -0.82992
   44    43 S   HC   _H39   116     1.09859   110.96018  -179.98022
   45    43 S   HC   _H40   117     1.09836   111.03601    60.30688
   46    43 S   HC   _H41   118     1.09806   110.92386   -59.85113
   47    42 S   NA   _N5_    40     1.29466   111.02101     0.70969
   48    47 S   H    _H18    41     1.01661   128.90419   179.32652
   49    42 S   CT   _C12    92     1.48266   127.90025   179.91607
   50    49 S   HC   _H16    93     1.09381   110.71845   -44.93219
   51    49 S   HC   _H17    94     1.09407   110.75703  -166.73067
   52    37 S   C5A  _C16    42     1.33766   112.42594   117.15366
   53    49 S   C5A  _C7_    95     1.49077   107.76540    74.48794
   54    52 S   CM   _C17    43     1.43274   110.94442     0.31466
   55    53 S   C5BC _C6_    96     1.35116   130.21008  -120.33392
   56    54 S   CM   _C18    44     1.33872   125.22112  -178.65303
   57    55 S   C5BC _C9_    97     1.47289   107.25258   179.96574
   58    55 S   CT   _C5_   108     1.48669   129.90442     0.02798
   59    58 S   HC   _H9_   109     1.09541   108.80449    31.45619
   60    58 S   HC   _H10   110     1.09585   108.42339   148.95367
   61    56 S   CT   _C19    45     1.51108   124.35794  -179.97202
   62    57 S   C5A  _C8_    98     1.34717   106.52051    -0.03426
   63    57 S   CT   _C10   104     1.48578   123.00843   179.87967
   64    63 S   HC   _H12   105     1.09243   110.16294    90.06977
   65    63 S   HC   _H13   106     1.09262   110.22314   -30.11333
   66    63 S   HC   _H14   107     1.09267   110.20931  -149.80099
   67    58 S   CT   _C4_   111     1.51719   110.69009   -90.01925
   68    67 S   HC   _H6_   112     1.09375   110.68328   -59.47527
   69    67 S   HC   _H7_   113     1.09489   110.88408  -179.74744
   70    67 S   HC   _H8_   114     1.09515   110.98125    60.70319
   71    61 S   CT   _C20    46     1.53806   100.92168   159.44264
   72    71 S   HC   _H4_    47     1.12695   108.42445   -96.54640
   73    61 S   HC   _H3_    74     1.06336   108.66729    42.99332
   74    61 S   CT   _C31    83     1.52840   110.84295   -77.48988
   75    74 S   HC   _H31    84     1.08736   108.08217    80.01406
   76    74 S   HC   _H32    85     1.08888   106.93163  -163.94752
   77    53 S   NA   _N4_    99     1.40393   120.77553    59.62475
   78    77 S   H    _H11   100     1.01702   126.19340     0.01978
   79    62 S   CO4  _C11   101     1.45546   127.47648   180.00000
   80    79 S   O    _O33   102     1.22953   122.92252   179.98022
   81    79 S   HC   _H15   103     1.10687   115.53525    -0.00000
   82    71 S   CD   _C21    48     1.50902   100.38758    17.03530
   83    71 S   CT   _C30    70     1.51861   116.64206   140.49577
   84    83 S   HC   _H28    71     1.08940   109.96814   -57.14535
   85    83 S   HC   _H29    72     1.09051   109.96359  -177.15779
   86    83 S   HC   _H30    73     1.09017   110.01089    62.86992
   87    73 S   OH   _O38    75     1.21798   111.86993   -83.75199
   88    74 S   CT   _C32    86     1.51506   111.70457   -43.65395
   89    88 S   HC   _H33    87     1.09718   107.62540   -59.39035
   90    88 S   HC   _H34    88     1.09709   110.20876    56.95201
   91    56 S   NI   _N6_    49     1.37278   123.23641    -2.08366
   92    82 S   CT   _C22    50     1.49524   121.89988   169.83980
   93    92 S   HC   _H19    51     1.09331   108.36926   179.98022
   94    92 S   HC   _H20    52     1.09276   108.08624   -62.46569
   95    87 S   CMA  _C35    76     1.42464   135.99908    91.82838
   96    95 S   OM   _O37    77     1.27322   125.18779   146.29158
   97    87 S   CT   _C36    79     1.42660   101.42368  -118.78816
   98    97 S   HC   _H35    80     1.09215   109.51223    23.24391
   99    97 S   HC   _H36    81     1.09274   109.52286   -97.63594
  100    97 S   HC   _H37    82     1.09252   108.93455   142.83171
  101    88 S   CO3  _C33    89     1.53351   116.91556  -178.58764
  102   101 S   O2Z  _O36    90     1.26168   116.47113   179.96044
  103   101 S   O2Z  _O35    91     1.26474   114.17865    -0.69267
  104    92 S   CT   _C23    53     1.51481   110.40574    58.61111
  105   104 S   HC   _H5_    54     1.09534   110.91942   -53.47569
  106   104 S   CM   _C24    55     1.50584   113.93778  -179.92598
  107   106 S   CM   _C25    56     1.34401   112.62254  -118.21069
  108   106 S   CT   _C29    66     1.49323   119.49219    63.02361
  109   108 S   HC   _H25    67     1.08984   109.83204   -91.41189
  110   108 S   HC   _H26    68     1.09022   109.81475   148.35044
  111   108 S   HC   _H27    69     1.09016   109.80945    28.74714
  112   107 S   C    _C26    57     1.48316   106.75572    -0.64771
  113   112 S   O    _O34    58     1.21921   125.46863  -179.55194
  114   107 S   CM   _C27    61     1.42857   130.00669  -179.87028
  115   114 S   HC   _H22    62     1.09767   120.28624   140.05662
  116   104 S   N    _N7_    59     1.43804   111.17624    66.83076
  117   116 S   H    _H21    60     1.01543   123.51757   -59.80351
  118   114 S   CM   _C28    63     1.35076   120.09550   -39.96784
  119   118 S   HC   _H23    64     1.08431   121.09787  -179.97202
  120   118 S   HC   _H24    65     1.08546   121.26497    -0.03956
  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   9   5   4   3
  14   2   1   1  16  14   5   1  13  14   6   2   1   1   8   3
  10   4   3   5  11  10  16  14  14   9   5   4  20   9   5   2
   1   1   3   2   1   1  17   9  14  12   5   4   4   1   2   1
   1  12   5   2   1   1   6   5   4   3   4  10   5   4   5   1
   3   2   1   1   2   1   1  12   6  12  13   6   2   1   1   6
   3   5   3   1   1   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    54    95    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    52    54    56    87    95    96    38    43    39    40  
   35    36  
   36  
    0  
   41    42    47    48    52    54    56    95    38    49    43    44    45    46    39    40  
   97    39    40    41    47    52    54    56    61    73    87    91    95    96  
   40    41    52    54    95  
    0  
   42    47    48    52    54    49    50    51    53    43    44    45    46  
   47    48    52    54    49    50    51    53    55    77    43    44    45    46  
   44    45    46    47    49    52  
   45    46  
   46  
    0  
   48    52    54    56    49    50    51    53  
   52    54    49  
   50    51    53    55    57    62    77    78    58    52  
   51    53    55    77  
   53    55    77  
   54    56    61    91    95  
   55    57    62    77    78    79    63    58    59    60    67  
   56    61    71    82    91    73    87    95    96    74  
   57    62    77    78    79    63    64    65    66    58    59    60    67    68    69    70  
   61    71    72    82    91    92    83    73    87    95    74    75    76    88  
   62    77    78    79    80    81    63    64    65    66    58    59    60    67  
   59    60    67    68    69    70    62    63    77  
   60    67    68    69    70  
   67    68    69    70  
   71    72    82    91    92    83    84    85    86    73    87    95    97    74    75    76    88    89    90   101  
   77    78    79    80    81    63    64    65    66  
   64    65    66    77    79  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    82    91    92    93    94   104    83    84    85    86    73    87    74    75    76    88  
   82    91    92    83    84    85    86    73    74  
   87    95    96    97    98    99   100    74    75    76    88    82    83    91  
   75    76    88    89    90   101   102   103    82    83    87    91  
   76    88    89    90   101  
   88    89    90   101  
   78    79    80    81  
   79  
   80    81  
   81  
    0  
   91    92    93    94   104   105   106   116    83    84    85    86  
   84    85    86    91    92  
   85    86  
   86  
    0  
   95    96    97    98    99   100  
   89    90   101   102   103  
   90   101   102   103  
  101   102   103  
   92    93    94   104  
   93    94   104   105   106   107   112   116   117   108  
   94   104   105   106   116  
  104   105   106   116  
   96    97    98    99   100  
   97  
   98    99   100  
   99   100  
  100  
    0  
  102   103  
  103  
    0  
  105   106   107   112   113   116   117   114   108   109   110   111  
  106   107   112   116   117   108  
  107   112   113   116   117   114   115   118   108   109   110   111  
  112   113   116   117   114   115   118   119   120   108   109   110   111  
  109   110   111   112   114   116  
  110   111  
  111  
    0  
  113   116   117   114   115   118  
  116   117   114  
  115   118   119   120   116  
  118   119   120  
  117  
    0  
  119   120  
  120  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.547500   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   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   48   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.008000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   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   3.5000   0.0660  -0.023900   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   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   78   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   81   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -1.060000   1.7385   1.5350   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   92   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   96   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   97   3.5000   0.0660   0.085000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  104   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  114   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  115   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  118   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  119   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  120   2.4200   0.0300   0.115000   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   285.000  1.502
   33    38   317.000  1.510
   33    39   320.000  1.410
   37    41   469.000  1.424
   37    52   546.000  1.367
   41    42   546.000  1.367
   41    43   285.000  1.502
   42    47   427.000  1.381
   42    49   295.000  1.489
   47    48   434.000  1.010
   47    52   427.000  1.381
   52    54   375.000  1.423
   54    56   549.000  1.340
   54    38   380.000  1.444
   56    61   317.000  1.510
   56    91   405.000  1.380
   61    71   268.000  1.529
   61    73   340.000  1.090
   61    74   268.000  1.529
   71    72   340.000  1.090
   71    82   270.000  1.508
   71    83   268.000  1.529
   82    91   500.000  1.261
   82    92   270.000  1.508
   92    93   340.000  1.090
   92    94   340.000  1.090
   92   104   268.000  1.529
  104   105   340.000  1.090
  104   106   317.000  1.510
  104   116   337.000  1.449
  106   107   549.000  1.340
  106   108   317.000  1.510
  107   112   410.000  1.444
  107   114   380.000  1.444
  112   113   570.000  1.229
  112   116   490.000  1.335
  116   117   434.000  1.010
  114   115   340.000  1.080
  114   118   549.000  1.340
  118   119   340.000  1.080
  118   120   340.000  1.080
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   73    87   665.000  0.945
   87    95   510.000  1.338
   87    97   320.000  1.410
   95    96   745.000  1.250
   95    38   465.000  1.376
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88   101   317.000  1.522
  101   102   656.000  1.250
  101   103   656.000  1.250
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   295.000  1.489
   53    55   546.000  1.367
   53    77   427.000  1.381
   55    57   469.000  1.424
   55    58   285.000  1.502
   57    62   546.000  1.367
   57    63   285.000  1.502
   62    77   427.000  1.381
   62    79   335.000  1.450
   77    78   434.000  1.010
   79    80   570.000  1.229
   79    81   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    41    60.00000  130.00000
   33    37    52    60.00000  130.00000
   33    38    54    70.00000  124.00000
   33    38    95    70.00000  124.00000
   33    39    40    55.00000  108.50000
   37    41    42    70.00000  107.30000
   37    41    43    60.00000  130.00000
   37    52    47    70.00000  107.70000
   37    52    54    50.00000  133.16000
   41    42    47    70.00000  107.70000
   41    42    49    50.00000  133.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   42    47    48    35.00000  120.00000
   42    47    52    70.00000  109.80000
   42    49    50    45.00000  110.47400
   42    49    51    45.00000  110.47400
   42    49    53    70.00000  112.04700
   47    52    54    70.00000  120.38000
   52    37    41    70.00000  107.30000
   52    47    48    35.00000  120.00000
   52    54    56    55.00000  128.24000
   52    54    38    55.00000  128.24000
   54    56    61    70.00000  124.00000
   54    56    91    70.00000  120.83400
   54    38    95    70.00000  117.34000
   56    61    71    70.00000  112.02700
   56    61    73    35.00000  109.50000
   56    61    74    70.00000  112.02700
   56    91    82    75.00000  115.77100
   61    71    72    37.50000  110.70000
   61    71    82    70.00000  111.76100
   61    71    83    58.35000  112.70000
   61    73    87    60.00000  109.50000
   61    74    75    37.50000  110.70000
   61    74    76    37.50000  110.70000
   61    74    88    58.35000  112.70000
   71    82    91    65.00000  122.10100
   71    82    92    65.00000  114.98000
   71    83    84    37.50000  110.70000
   71    83    85    37.50000  110.70000
   71    83    86    37.50000  110.70000
   82    71    72    45.00000  109.49600
   82    92    93    45.00000  109.49600
   82    92    94    45.00000  109.49600
   82    92   104    70.00000  111.76100
   91    56    61    65.00000  119.96000
   92    82    91    65.00000  122.10100
   92   104   105    37.50000  110.70000
   92   104   106    70.00000  112.02700
   92   104   116    70.00000  110.72300
   94    92    93    33.00000  107.80000
  104    92    93    37.50000  110.70000
  104    92    94    37.50000  110.70000
  104   106   107    70.00000  124.00000
  104   106   108    65.00000  117.92700
  104   116   112    50.00000  121.90000
  104   116   117    38.00000  118.40000
  106   104   105    35.00000  109.50000
  106   107   112    70.00000  118.70000
  106   107   114    70.00000  123.01800
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    35.00000  109.50000
  107   112   113    80.00000  125.30000
  107   112   116    80.00000  111.56200
  107   114   115    35.00000  120.00000
  107   114   118    70.00000  123.01800
  112   116   117    35.00000  119.80000
  116   104   105    35.00000  109.50000
  116   104   106    75.00000  110.78400
  116   112   113    80.00000  122.90000
  114   107   112    70.00000  118.70000
  114   118   119    35.00000  120.00000
  114   118   120    35.00000  120.00000
  118   114   115    35.00000  120.00000
  120   118   119    35.00000  117.00000
  108   106   107    70.00000  124.00000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   83    71    72    37.50000  110.70000
   83    71    82    70.00000  111.76100
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   73    61    71    37.50000  110.70000
   73    87    95    50.00000  110.00000
   73    87    97    55.00000  108.00000
   87    95    96   115.00000  116.36000
   87    95    38    80.00000  121.38400
   87    97    98    35.00000  109.50000
   87    97    99    35.00000  109.50000
   87    97   100    35.00000  109.50000
   38    33    37    70.00000  112.99600
   38    54    56    70.00000  123.01800
   38    95    96    65.00000  137.10300
   97    87    95    90.00000  111.18400
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   74    61    71    58.35000  112.70000
   74    61    73    37.50000  110.70000
   74    88    89    37.50000  110.70000
   74    88    90    37.50000  110.70000
   74    88   101    70.00000  109.69300
   76    74    75    33.00000  107.80000
   88    74    75    37.50000  110.70000
   88    74    76    37.50000  110.70000
   88   101   102    70.00000  117.00000
   88   101   103    70.00000  117.00000
   90    88    89    33.00000  107.80000
  101    88    89    35.00000  109.50000
  101    88    90    35.00000  109.50000
  103   101   102    80.00000  126.00000
   49    42    47    65.00000  122.56900
   49    53    55    50.00000  133.50000
   49    53    77    65.00000  122.56900
   51    49    50    33.00000  107.80000
   53    49    50    45.00000  110.47400
   53    49    51    45.00000  110.47400
   53    55    57    70.00000  107.30000
   53    55    58    60.00000  130.00000
   53    77    62    70.00000  109.80000
   53    77    78    35.00000  120.00000
   55    57    62    70.00000  107.30000
   55    57    63    60.00000  130.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    67    70.00000  112.17500
   57    62    77    70.00000  107.70000
   57    62    79    55.00000  130.80000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    35.00000  109.50000
   62    77    78    35.00000  120.00000
   62    79    80    80.00000  122.40000
   62    79    81    35.00000  115.00000
   77    53    55    70.00000  107.70000
   79    62    77    70.00000  119.02500
   81    79    80    35.00000  123.00000
   63    57    62    60.00000  130.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   58    55    57    60.00000  130.00000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    41    42    60.00000  130.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    90.00000  112.51600
   39    33    38    90.00000  110.39200
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    52  -0.16000  1.0 1.0
   29    33    37    52  -0.03200 -1.0 2.0
   29    33    37    52   0.04500  1.0 3.0
   29    33    38    54   0.42700  1.0 1.0
   29    33    38    54  -0.70350 -1.0 2.0
   29    33    38    54  -0.43150  1.0 3.0
   29    33    38    95   0.42700  1.0 1.0
   29    33    38    95  -0.70350 -1.0 2.0
   29    33    38    95  -0.43150  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   3.62500 -1.0 2.0
   33    37    41    43   3.62500 -1.0 2.0
   33    37    52    47   3.62500 -1.0 2.0
   33    37   -52    54   3.62500 -1.0 2.0
   37    33   -38    54   1.44450  1.0 1.0
   37    33   -38    54   0.06600 -1.0 2.0
   37    33   -38    54   0.29250  1.0 3.0
   37    33    38    95   1.44450  1.0 1.0
   37    33    38    95   0.06600 -1.0 2.0
   37    33    38    95   0.29250  1.0 3.0
   37    33    39    40   0.31900  1.0 1.0
   37    33    39    40  -0.11800 -1.0 2.0
   37    33    39    40   0.38750  1.0 3.0
   37    41   -42    47   3.62500 -1.0 2.0
   37    41    42    49   3.62500 -1.0 2.0
   37    41    43    44   0.00000  1.0 1.0
   37    41    43    45   0.00000  1.0 1.0
   37    41    43    46   0.00000  1.0 1.0
   37    52    54    56   0.15800  1.0 1.0
   37    52    54    56   1.85350 -1.0 2.0
   37    52    54    56  -0.48700  1.0 3.0
   37    52   -54    38   0.15800  1.0 1.0
   37    52   -54    38   1.85350 -1.0 2.0
   37    52   -54    38  -0.48700  1.0 3.0
   41    37   -52    47   3.62500 -1.0 2.0
   41    37    52    54   3.62500 -1.0 2.0
   41    42    47    48   2.00000 -1.0 2.0
   41    42   -47    52   3.62500 -1.0 2.0
   41    42    49    50   0.00000  1.0 1.0
   41    42    49    51   0.00000  1.0 1.0
   41    42    49    53   0.04300 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.00000  1.0 1.0
   42    47   -52    37   3.62500 -1.0 2.0
   42    47    52    54   3.62500 -1.0 2.0
   42    49    53    55   0.04300 -1.0 2.0
   42    49    53    77   0.04300 -1.0 2.0
   47    42    49    50   0.00000  1.0 1.0
   47    42    49    51   0.00000  1.0 1.0
   47    42    49    53   0.04300 -1.0 2.0
   47    52    54    56   0.11450  1.0 1.0
   47    52    54    56   1.85100 -1.0 2.0
   47    52    54    56  -0.49050  1.0 3.0
   47    52    54    38   0.11450  1.0 1.0
   47    52    54    38   1.85100 -1.0 2.0
   47    52    54    38  -0.49050  1.0 3.0
   48    47    52    37   2.00000 -1.0 2.0
   48    47    52    54   2.00000 -1.0 2.0
   52    37   -41    42   3.62500 -1.0 2.0
   52    37    41    43   3.62500 -1.0 2.0
   52    54    56    61   7.00000 -1.0 2.0
   52    54    56    91   7.00000 -1.0 2.0
   52    54   -38    33   1.08500 -1.0 2.0
   52    54    38    95  -0.18600  1.0 3.0
   54    56    61    71   0.09850  1.0 1.0
   54    56    61    71   0.15250 -1.0 2.0
   54    56    61    71  -0.50650  1.0 3.0
   54    56    61    73   0.00000  1.0 1.0
   54    56    61    74   0.09850  1.0 1.0
   54    56    61    74   0.15250 -1.0 2.0
   54    56    61    74  -0.50650  1.0 3.0
   54    56    91    82   1.00000 -1.0 2.0
   56    54    38    33  -0.18600  1.0 3.0
   56    54    38    95   0.28850  1.0 1.0
   56    54    38    95   2.61350 -1.0 2.0
   56    54    38    95   0.78400  1.0 3.0
   56    61    71    72   0.15000  1.0 3.0
   56    61   -71    82   0.31000  1.0 1.0
   56    61   -71    82   0.14700 -1.0 2.0
   56    61   -71    82   0.07550  1.0 3.0
   56    61    71    83   0.34400  1.0 1.0
   56    61    71    83   0.09450 -1.0 2.0
   56    61    71    83   0.11100  1.0 3.0
   56    61    73    87   0.00000  1.0 1.0
   56    61    74    75   0.15000  1.0 3.0
   56    61    74    76   0.15000  1.0 3.0
   56    61    74    88   0.34400  1.0 1.0
   56    61    74    88   0.09450 -1.0 2.0
   56    61    74    88   0.11100  1.0 3.0
   61    56   -91    82   1.00000 -1.0 2.0
   61    71   -82    91   0.00000  1.0 1.0
   61    71    82    92   0.46850  1.0 1.0
   61    71    82    92   0.08550 -1.0 2.0
   61    71    82    92   0.09800  1.0 3.0
   61    71    83    84   0.15000  1.0 3.0
   61    71    83    85   0.15000  1.0 3.0
   61    71    83    86   0.15000  1.0 3.0
   61    73    87    95   0.00000  1.0 1.0
   61    73    87    97   0.00000  1.0 1.0
   61    74    88    89   0.15000  1.0 3.0
   61    74    88    90   0.15000  1.0 3.0
   61    74    88   101  -1.63150  1.0 1.0
   61    74    88   101  -0.43550 -1.0 2.0
   61    74    88   101   0.24500  1.0 3.0
   71    61    73    87   0.00000  1.0 1.0
   71    61    74    75   0.15000  1.0 3.0
   71    61    74    76   0.15000  1.0 3.0
   71    61    74    88   0.56750  1.0 1.0
   71    61    74    88  -0.07550 -1.0 2.0
   71    61    74    88   0.20000  1.0 3.0
   71    82   -91    56   6.00000 -1.0 2.0
   71    82    92    93   0.00000  1.0 1.0
   71    82    92    94   0.00000  1.0 1.0
   71    82    92   104   0.46850  1.0 1.0
   71    82    92   104   0.08550 -1.0 2.0
   71    82    92   104   0.09800  1.0 3.0
   72    71    82    91   0.00000  1.0 1.0
   72    71    82    92   0.00000  1.0 1.0
   72    71    83    84   0.15000  1.0 3.0
   72    71    83    85   0.15000  1.0 3.0
   72    71    83    86   0.15000  1.0 3.0
   82    71    83    84   0.15000  1.0 3.0
   82    71    83    85   0.15000  1.0 3.0
   82    71    83    86   0.15000  1.0 3.0
   82    92   104   105   0.15000  1.0 3.0
   82    92   104   106   0.31000  1.0 1.0
   82    92   104   106   0.14700 -1.0 2.0
   82    92   104   106   0.07550  1.0 3.0
   82    92   104   116   0.10350  1.0 1.0
   82    92   104   116  -0.04400 -1.0 2.0
   82    92   104   116   0.08800  1.0 3.0
   91    56   -61    71   0.09700  1.0 1.0
   91    56   -61    71   0.15600 -1.0 2.0
   91    56   -61    71  -0.50800  1.0 3.0
   91    56    61    73   0.00000  1.0 1.0
   91    56    61    74   0.09700  1.0 1.0
   91    56    61    74   0.15600 -1.0 2.0
   91    56    61    74  -0.50800  1.0 3.0
   91    82    92    93   0.00000  1.0 1.0
   91    82    92    94   0.00000  1.0 1.0
   91    82    92   104   0.00000  1.0 1.0
   92    82    91    56   6.00000 -1.0 2.0
   92   104   106   107   0.09850  1.0 1.0
   92   104   106   107   0.15250 -1.0 2.0
   92   104   106   107  -0.50650  1.0 3.0
   92   104   106   108   0.46850  1.0 1.0
   92   104   106   108   0.08550 -1.0 2.0
   92   104   106   108   0.09800  1.0 3.0
   92   104   116   112  -0.43950  1.0 1.0
   92   104   116   112  -0.08100 -1.0 2.0
   92   104   116   112   0.03350  1.0 3.0
   92   104   116   117   0.00000  1.0 1.0
   93    92   104   105   0.15000  1.0 3.0
   93    92   104   106   0.15000  1.0 3.0
   93    92   104   116   0.15000  1.0 3.0
   94    92   104   105   0.15000  1.0 3.0
   94    92   104   106   0.15000  1.0 3.0
   94    92   104   116   0.15000  1.0 3.0
  104   106  -107   112   7.00000 -1.0 2.0
  104   106   107   114   7.00000 -1.0 2.0
  104   106   108   109   0.34800  1.0 3.0
  104   106   108   110   0.34800  1.0 3.0
  104   106   108   111   0.34800  1.0 3.0
  105   104   106   107   0.00000  1.0 1.0
  105   104   106   108   0.34800  1.0 3.0
  105   104   116   112   0.00000  1.0 1.0
  105   104   116   117   0.00000  1.0 1.0
  106   104  -116   112  -0.19250  1.0 1.0
  106   104  -116   112  -0.00500 -1.0 2.0
  106   104  -116   112   0.17000  1.0 3.0
  106   104   116   117   0.00000  1.0 1.0
  106   107   112   113   1.00000 -1.0 2.0
  106   107  -112   116   0.49500  1.0 1.0
  106   107  -112   116   1.31600 -1.0 2.0
  106   107  -112   116  -0.02300  1.0 3.0
  106   107   114   115  -0.18600  1.0 3.0
  106   107   114   118   0.28850  1.0 1.0
  106   107   114   118   2.61350 -1.0 2.0
  106   107   114   118   0.78400  1.0 3.0
  107   106   108   109   0.00000  1.0 1.0
  107   106   108   110   0.00000  1.0 1.0
  107   106   108   111   0.00000  1.0 1.0
  107   112  -116   104   1.49850  1.0 1.0
  107   112  -116   104   1.53950 -1.0 2.0
  107   112   116   117   2.56700 -1.0 2.0
  107   114   118   119   7.00000 -1.0 2.0
  107   114   118   120   7.00000 -1.0 2.0
  112   107   114   115   0.00000  1.0 1.0
  112   107   114   118  -0.18600  1.0 3.0
  113   112   116   104   3.04450 -1.0 2.0
  113   112   116   117   2.45000 -1.0 2.0
  116   104  -106   107   0.62150  1.0 1.0
  116   104  -106   107   0.42850 -1.0 2.0
  116   104  -106   107  -0.68200  1.0 3.0
  116   104   106   108   0.09700  1.0 1.0
  116   104   106   108   0.15600 -1.0 2.0
  116   104   106   108  -0.50800  1.0 3.0
  114   107   112   113   1.00000 -1.0 2.0
  114   107   112   116   0.49500  1.0 1.0
  114   107   112   116   1.31600 -1.0 2.0
  114   107   112   116  -0.02300  1.0 3.0
  115   114   118   119   7.00000 -1.0 2.0
  115   114   118   120   7.00000 -1.0 2.0
  108   106   107   112   7.00000 -1.0 2.0
  108   106   107   114   7.00000 -1.0 2.0
   83    71    82    91   0.00000  1.0 1.0
   83    71    82    92   0.46850  1.0 1.0
   83    71    82    92   0.08550 -1.0 2.0
   83    71    82    92   0.09800  1.0 3.0
   73    61    71    72   0.15000  1.0 3.0
   73    61    71    82   0.15000  1.0 3.0
   73    61    71    83   0.15000  1.0 3.0
   73    61    74    75   0.15000  1.0 3.0
   73    61    74    76   0.15000  1.0 3.0
   73    61    74    88   0.15000  1.0 3.0
   73    87    95    96   2.00000 -1.0 2.0
   73    87    95    38   2.00000 -1.0 2.0
   73    87    97    98   0.37500  1.0 3.0
   73    87    97    99   0.37500  1.0 3.0
   73    87    97   100   0.37500  1.0 3.0
   87    95    38    33   7.00000 -1.0 2.0
   87    95    38    54   7.00000 -1.0 2.0
   95    87    97    98   0.08050  1.0 3.0
   95    87    97    99   0.08050  1.0 3.0
   95    87    97   100   0.08050  1.0 3.0
   96    95    38    33   7.00000 -1.0 2.0
   96    95    38    54   7.00000 -1.0 2.0
   38    33    37    41   0.18050 -1.0 2.0
   38    33   -37    52   0.18050 -1.0 2.0
   38    33    39    40  -0.07800  1.0 1.0
   38    33    39    40  -0.21500 -1.0 2.0
   38    33    39    40  -0.03150  1.0 3.0
   38    54    56    61   7.00000 -1.0 2.0
   38    54    56    91   7.00000 -1.0 2.0
   97    87    95    96   2.00000 -1.0 2.0
   97    87    95    38  -2.26850  1.0 1.0
   97    87    95    38   3.39050 -1.0 2.0
   74    61    71    72   0.15000  1.0 3.0
   74    61    71    82   0.34400  1.0 1.0
   74    61    71    82   0.09450 -1.0 2.0
   74    61    71    82   0.11100  1.0 3.0
   74    61    71    83   0.56750  1.0 1.0
   74    61    71    83  -0.07550 -1.0 2.0
   74    61    71    83   0.20000  1.0 3.0
   74    61    73    87   0.00000  1.0 1.0
   74    88   101   102   0.41150 -1.0 2.0
   74    88   101   103   0.41150 -1.0 2.0
   75    74    88    89   0.15000  1.0 3.0
   75    74    88    90   0.15000  1.0 3.0
   75    74    88   101  -0.11250  1.0 3.0
   76    74    88    89   0.15000  1.0 3.0
   76    74    88    90   0.15000  1.0 3.0
   76    74    88   101  -0.11250  1.0 3.0
   89    88   101   102   0.00000  1.0 1.0
   89    88   101   103   0.00000  1.0 1.0
   90    88   101   102   0.00000  1.0 1.0
   90    88   101   103   0.00000  1.0 1.0
   49    42    47    48   2.00000 -1.0 2.0
   49    42    47    52   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   49    53    55    58   3.62500 -1.0 2.0
   49    53    77    62   3.62500 -1.0 2.0
   49    53    77    78   2.00000 -1.0 2.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    77   0.00000  1.0 1.0
   51    49    53    55   0.00000  1.0 1.0
   51    49    53    77   0.00000  1.0 1.0
   53    55   -57    62   3.62500 -1.0 2.0
   53    55    57    63   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    67   0.04150 -1.0 2.0
   55    53   -77    62   3.62500 -1.0 2.0
   55    53    77    78   2.00000 -1.0 2.0
   55    57   -62    77   3.62500 -1.0 2.0
   55    57    62    79   3.62500 -1.0 2.0
   55    57    63    64   0.00000  1.0 1.0
   55    57    63    65   0.00000  1.0 1.0
   55    57    63    66   0.00000  1.0 1.0
   55    58    67    68   0.43200  1.0 3.0
   55    58    67    69   0.43200  1.0 3.0
   55    58    67    70   0.43200  1.0 3.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    60   0.00000  1.0 1.0
   57    55    58    67   0.04150 -1.0 2.0
   57    62   -77    53   3.62500 -1.0 2.0
   57    62    77    78   2.00000 -1.0 2.0
   57    62    79    80   1.05000 -1.0 2.0
   57    62    79    81   0.56600 -1.0 2.0
   62    57    63    64   0.00000  1.0 1.0
   62    57    63    65   0.00000  1.0 1.0
   62    57    63    66   0.00000  1.0 1.0
   77    53   -55    57   3.62500 -1.0 2.0
   77    53    55    58   3.62500 -1.0 2.0
   77    62    79    80   1.85000 -1.0 2.0
   77    62    79    81   0.56600 -1.0 2.0
   79    62    77    53   3.62500 -1.0 2.0
   79    62    77    78   2.00000 -1.0 2.0
   63    57    62    77   3.62500 -1.0 2.0
   63    57    62    79   3.62500 -1.0 2.0
   58    55    57    62   3.62500 -1.0 2.0
   58    55    57    63   3.62500 -1.0 2.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   43    41    42    47   3.62500 -1.0 2.0
   43    41    42    49   3.62500 -1.0 2.0
   39    33    37    41   0.14300 -1.0 2.0
   39    33    37    41   0.00300  1.0 3.0
   39    33    37    52   0.14300 -1.0 2.0
   39    33    37    52   0.00300  1.0 3.0
   39    33    38    54  -0.17300  1.0 1.0
   39    33    38    54   0.35150 -1.0 2.0
   39    33    38    54   0.31550  1.0 3.0
   39    33    38    95   0.67800  1.0 1.0
   39    33    38    95   0.47050 -1.0 2.0
   39    33    38    95  -0.62500  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
   41    52    37    33   4.00000 -1.0 2.0
   42    43    41    37   4.00000 -1.0 2.0
   49    47    42    41   4.00000 -1.0 2.0
   48    42    47    52   1.00000 -1.0 2.0
   47    54    52    37   4.00000 -1.0 2.0
   52    38    54    56   1.10000 -1.0 2.0
   61    91    56    54   1.10000 -1.0 2.0
   71    92    82    91  10.50000 -1.0 2.0
  104   108   106   107   1.10000 -1.0 2.0
  112   114   107   106   1.10000 -1.0 2.0
  107   116   112   113  10.50000 -1.0 2.0
  117   112   116   104   1.00000 -1.0 2.0
  107   115   114   118  15.00000 -1.0 2.0
  119   120   118   114  15.00000 -1.0 2.0
   87    96    95    38   1.10000 -1.0 2.0
   33    54    38    95   1.10000 -1.0 2.0
  102    88   101   103  10.50000 -1.0 2.0
   55    77    53    49   4.00000 -1.0 2.0
   57    58    55    53   4.00000 -1.0 2.0
   62    63    57    55   4.00000 -1.0 2.0
   79    77    62    57   4.00000 -1.0 2.0
   78    53    77    62   1.00000 -1.0 2.0
   62    81    79    80  10.50000 -1.0 2.0
END
