* LIGAND DATABASE FILE (OPLS2005)
*
001     114   115    205    298     595
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02032   106.05203    -3.72389
    3     1 S   H    _H1_     3     1.02087    49.78585    97.47309
    4     1 S   H    _H2_     4     1.02093    62.51657  -106.80621
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C23    36     1.85673    97.03852  -158.14358
   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   CM   _C22    37     1.51673   108.80356    80.01611
   38    33 S   CT   _C24    73     1.55907   112.37716  -153.97498
   39    38 S   HC   _H19    74     1.10025   106.44082   167.15271
   40    38 S   HC   _H20    75     1.09966   108.79852    54.76861
   41    37 S   CMA  _C21    38     1.35053   125.68098  -132.09654
   42    41 S   OM   _O36    39     1.26210   130.73874  -178.97588
   43    37 S   OS   _O35   110     1.39364   114.36042    48.41084
   44    41 S   CM   _C20    40     1.44724   118.95178     0.67144
   45    44 S   HC   _H18    41     1.08729   120.34198  -165.42604
   46    43 S   CT   _C26   111     1.40173   112.09171  -120.52036
   47    46 S   HC   _H21   112     1.09311   109.51064  -179.98022
   48    46 S   HC   _H22   113     1.09327   109.49576    59.27420
   49    46 S   HC   _H23   114     1.09227   109.04270   -60.36810
   50    44 S   CM   _C19    42     1.47552   122.37370    14.61472
   51    33 S   CO4  _C25    43     1.53829   103.91980   -40.21045
   52    51 S   O    _O34    44     1.22925   123.77359   -46.28698
   53    50 S   NI   _N4_    45     1.29369   128.55394   170.02001
   54    53 S   CD   _C18    46     1.37581   121.51689    -3.07243
   55    54 S   OM   _O33    47     1.22585   127.11381   -48.25174
   56    54 S   CM   _C17    48     1.49679   111.38533   138.69970
   57    56 S   CM   _C16    49     1.34472   116.13305   -56.10890
   58    57 S   HC   _H17    50     1.08686   117.89163    -2.86198
   59    56 S   CT   _C27   106     1.49648   115.53138   124.56213
   60    59 S   HC   _H24   107     1.08851   109.67368   -90.72644
   61    59 S   HC   _H25   108     1.08951   109.68741   149.06152
   62    59 S   HC   _H26   109     1.08893   109.66954    29.43412
   63    57 S   CM   _C15    51     1.44827   126.79909   175.26211
   64    63 S   HC   _H16    52     1.08634   117.52054    -4.57603
   65    63 S   CM   _C14    53     1.34391   125.44821   178.30811
   66    65 S   HC   _H15    54     1.08924   117.00328   177.10092
   67    65 S   CT   _C13    55     1.50961   126.57654    -4.42284
   68    67 S   HC   _H8_    56     1.10076   107.14759   -45.28552
   69    67 S   CT   _C12    57     1.54592   114.01365    77.77271
   70    69 S   HC   _H7_    58     1.09632   110.21766   -50.96897
   71    67 S   OS   _O37   101     1.43067   108.72840  -159.42312
   72    69 S   CM   _C11    59     1.53313   113.33839  -169.92210
   73    69 S   OS   _O38    95     1.42966   109.10331    65.43534
   74    71 S   CT   _C28   102     1.41775   111.18159    80.00762
   75    74 S   HC   _H27   103     1.09310   109.52489  -179.96044
   76    74 S   HC   _H28   104     1.09270   109.53064    59.20085
   77    74 S   HC   _H29   105     1.09308   109.01285   -60.42155
   78    72 S   CM   _C10    60     1.34942   122.33793  -128.32892
   79    78 S   HC   _H14    61     1.09014   118.36661     0.82115
   80    72 S   CT   _C30    91     1.51005   114.35946    54.06550
   81    80 S   HC   _H32    92     1.08478   109.00868   -92.46761
   82    80 S   HC   _H33    93     1.08451   109.02428   147.39686
   83    80 S   HC   _H34    94     1.08486   109.03448    27.74717
   84    73 S   CO4  _C29    96     1.36481   115.85249  -148.83058
   85    84 S   O    _O39    97     1.22675   125.18104    -0.05595
   86    78 S   CT   _C9_    62     1.51454   128.56156  -179.07656
   87    86 S   HC   _H6_    63     1.09429   111.59585    -3.60114
   88    84 S   N    _N5_    98     1.37200   110.53915   179.98022
   89    88 S   H    _H30    99     1.01471   119.35237  -179.98022
   90    88 S   H    _H31   100     1.01489   121.40942    -0.04423
   91    86 S   CT   _C8_    64     1.55131   111.31858   118.26113
   92    91 S   HC   _H5_    65     1.09771   109.53688    62.90600
   93    86 S   CT   _C31    87     1.53681   108.11138  -119.02540
   94    93 S   HC   _H35    88     1.08577   109.39514   -60.54412
   95    93 S   HC   _H36    89     1.08549   109.29810   179.46077
   96    93 S   HC   _H37    90     1.08541   109.32340    59.47160
   97    91 S   CT   _C7_    66     1.54812   114.78150   -59.66774
   98    97 S   HC   _H4_    67     1.09812   109.05315    55.13922
   99    91 S   OH   _O40    85     1.43221   109.56016   178.94947
  100    99 S   HO   _H38    86     0.96734   106.19108    59.97508
  101    97 S   CT   _C6_    68     1.54055   113.97752   -68.47717
  102   101 S   HC   _H12    69     1.09406   109.15070    53.20233
  103   101 S   HC   _H13    70     1.09767   109.29258   -62.39722
  104    97 S   OS   _O41    80     1.43048   107.50677   170.24583
  105   101 S   CT   _C5_    71     1.55502   117.01032   174.96915
  106   105 S   HC   _H3_    72     1.09593   104.26533  -172.20155
  107   104 S   CT   _C32    81     1.41783   111.17371   -75.83519
  108   107 S   HC   _H39    82     1.09304   109.52611   179.96044
  109   107 S   HC   _H40    83     1.09290   109.56771    59.24980
  110   107 S   HC   _H41    84     1.09202   109.03089   -60.44549
  111   105 S   CT   _C4_    76     1.52967   111.13114    72.95421
  112   111 S   HC   _H9_    77     1.08832   109.66733   -66.83369
  113   111 S   HC   _H10    78     1.08817   109.69856   173.22049
  114   111 S   HC   _H11    79     1.08787   109.72446    53.18134
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  16  17   6   5   8   4   6   6   3   3   2   1
   1   6   4   1   5   9   3   9  10   4   4   2   1   1   7   3
   9   4  13   6  15   6   6  12   7   3   2   1   1  15   5   4
   2   1   1   4   3  13   8   2   1   1  15   7   5   2   1   1
  14   7   3   1  10   5   4   5   5   4   3   2   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    50    51    52   105    38    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    50    51    52    53   101   105   106    38    39    40   111    43    46  
   35    36  
   36  
    0  
   41    42    44    45    50    51    52   105    38    39    40    43    46    47    48    49  
   39    40   111   112   113   114    43    41    50    51    52    97   101   102   103   105   106  
   40   111    51   101   105   106  
  111    51   101   105   106  
   42    44    45    50    51    53    43    46  
   44    45    50    43  
   46    47    48    49    44    51  
   45    50    51    52    53    54  
   50    51    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56  
   52    53    54   105  
   53  
   54    55    56    57    59  
   55    56    57    58    63    59    60    61    62  
   56    57    59  
   57    58    63    64    65    59    60    61    62  
   58    63    64    65    66    67    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67    68    69    70    72    73    71    74  
   67    68    69    71  
   68    69    70    72    78    80    73    84    71    74    75    76    77  
   69    70    72    73    71    74  
   70    72    78    79    86    80    81    82    83    73    84    85    88    71    74  
   72    78    80    73    84    71  
   74    75    76    77    72    73  
   78    79    86    87    91    93    80    81    82    83    73    84  
   84    85    88    89    90    78    80  
   75    76    77  
   76    77  
   77  
    0  
   79    86    87    91    92    97    99    93    94    95    96    80    81    82    83  
   86    87    91    93    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    97    98   101   104    99   100    93    94    95    96  
   91    92    97    99    93    94    95    96  
   89    90  
   90  
    0  
   92    97    98   101   102   103   105   104   107    99   100    93    94    95    96  
   97    98   101   104    99   100    93  
   94    95    96    97    99  
   95    96  
   96  
    0  
   98   101   102   103   105   106   111   104   107   108   109   110    99   100  
  101   102   103   105   104   107    99  
  100   101   104  
    0  
  102   103   105   106   111   112   113   114   104   107  
  103   105   106   111   104  
  105   106   111   104  
  107   108   109   110   105  
  106   111   112   113   114  
  111   112   113   114  
  108   109   110  
  109   110  
  110  
    0  
  112   113   114  
  113   114  
  114  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   54   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   90   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   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    51   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   440.000  1.360
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    45   340.000  1.080
   44    50   549.000  1.340
   50    51   320.000  1.462
   50    53   405.000  1.380
   51    52   570.000  1.229
   53    54   500.000  1.261
   54    55   795.000  1.237
   54    56   320.000  1.464
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   380.000  1.444
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    73   320.000  1.410
   72    78   549.000  1.340
   72    80   317.000  1.510
   78    79   340.000  1.080
   78    86   317.000  1.510
   86    87   340.000  1.090
   86    91   268.000  1.529
   86    93   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   104   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   105   268.000  1.529
  105   106   340.000  1.090
  105    38   268.000  1.529
  105   111   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  104   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   99   100   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    84   214.000  1.327
   84    85   570.000  1.229
   84    88   435.000  1.380
   88    89   434.000  1.010
   88    90   434.000  1.010
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    51    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    85.00000  112.85300
   33    51    50    65.00000  118.62400
   33    51    52    80.00000  120.40000
   33    38   105    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   37    43    46    90.00000  111.18400
   41    44    45    40.00000  120.50800
   41    44    50    70.00000  117.34000
   44    41    42    65.00000  137.10300
   44    50    51    65.00000  118.96000
   44    50    53    70.00000  120.83400
   50    44    45    35.00000  120.00000
   50    51    52    80.00000  123.72100
   50    53    54    75.00000  115.77100
   51    33    37    70.00000  109.06800
   53    50    51    85.00000  113.88000
   53    54    55    75.00000  134.47000
   53    54    56    70.00000  121.86000
   54    56    57    60.00000  120.31500
   54    56    59    65.00000  117.22000
   56    54    55    90.00000  107.08000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  123.01800
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    70.00000  123.01800
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    71    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    72    70.00000  112.02700
   67    69    73    50.00000  109.50000
   67    71    74    60.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    78    70.00000  124.00000
   69    72    80    65.00000  117.92700
   69    73    84    83.00000  116.90000
   72    69    70    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    86    70.00000  124.00000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    91    70.00000  112.02700
   78    86    93    70.00000  112.02700
   86    78    79    35.00000  117.00000
   86    91    92    37.50000  110.70000
   86    91    97    58.35000  112.70000
   86    91    99    50.00000  109.50000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    96    37.50000  110.70000
   91    86    87    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97   101    58.35000  112.70000
   91    97   104    50.00000  109.50000
   91    99   100    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   101   102    37.50000  110.70000
   97   101   103    37.50000  110.70000
   97   101   105    58.35000  112.70000
   97   104   107    60.00000  109.50000
  101    97    98    37.50000  110.70000
  101   105   106    37.50000  110.70000
  101   105    38    58.35000  112.70000
  101   105   111    58.35000  112.70000
  103   101   102    33.00000  107.80000
  105   101   102    37.50000  110.70000
  105   101   103    37.50000  110.70000
  105    38    39    37.50000  110.70000
  105    38    40    37.50000  110.70000
  105   111   112    37.50000  110.70000
  105   111   113    37.50000  110.70000
  105   111   114    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    51    63.00000  111.10000
   38   105   106    37.50000  110.70000
   40    38    39    33.00000  107.80000
  111   105   106    37.50000  110.70000
  111   105    38    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  104    97    98    35.00000  109.50000
  104    97   101    50.00000  109.50000
  104   107   108    35.00000  109.50000
  104   107   109    35.00000  109.50000
  104   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   99    91    92    35.00000  109.50000
   99    91    97    50.00000  109.50000
   93    86    87    37.50000  110.70000
   93    86    91    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   80    72    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    72    85.00000  110.90400
   73    84    85    83.00000  123.40000
   73    84    88   110.00000  108.75700
   84    88    89    50.00000  116.34900
   84    88    90    50.00000  116.34900
   88    84    85    85.00000  125.96000
   90    88    89    35.00000  120.00000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    37    41    80.00000  120.01400
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.09700  1.0 1.0
   29    33    37    43   0.15600 -1.0 2.0
   29    33    37    43  -0.50800  1.0 3.0
   29    33    51    50   0.65300  1.0 1.0
   29    33    51    50  -0.03850 -1.0 2.0
   29    33    51    50   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    38   105   0.44750  1.0 1.0
   29    33    38   105  -0.17800 -1.0 2.0
   29    33    38   105   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    43    46   2.00000 -1.0 2.0
   37    33    51    50   0.65300  1.0 1.0
   37    33    51    50  -0.03850 -1.0 2.0
   37    33    51    50   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    38   105   0.34400  1.0 1.0
   37    33    38   105   0.09450 -1.0 2.0
   37    33    38   105   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    44    45   7.00000 -1.0 2.0
   37    41   -44    50   7.00000 -1.0 2.0
   37    43    46    47   0.08050  1.0 3.0
   37    43    46    48   0.08050  1.0 3.0
   37    43    46    49   0.08050  1.0 3.0
   41    37    43    46  -2.26850  1.0 1.0
   41    37    43    46   3.39050 -1.0 2.0
   41    44    50    51   7.00000 -1.0 2.0
   41    44    50    53   7.00000 -1.0 2.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    50   7.00000 -1.0 2.0
   44    50   -51    33  -0.33500  1.0 1.0
   44    50   -51    33   1.06600 -1.0 2.0
   44    50   -51    33  -0.14000  1.0 3.0
   44    50    51    52   1.00000 -1.0 2.0
   44    50    53    54   1.00000 -1.0 2.0
   45    44    50    51   7.00000 -1.0 2.0
   45    44    50    53   7.00000 -1.0 2.0
   50    53    54    55   6.00000 -1.0 2.0
   50    53    54    56   6.00000 -1.0 2.0
   51    33   -37    41  -0.51250  1.0 1.0
   51    33   -37    41  -0.88800 -1.0 2.0
   51    33   -37    41   0.08850  1.0 3.0
   51    33    37    43   0.09700  1.0 1.0
   51    33    37    43   0.15600 -1.0 2.0
   51    33    37    43  -0.50800  1.0 3.0
   51    33    38   105  -0.95700  1.0 1.0
   51    33    38   105  -0.18200 -1.0 2.0
   51    33    38   105   0.29450  1.0 3.0
   51    33    38    39  -0.11250  1.0 3.0
   51    33    38    40  -0.11250  1.0 3.0
   51    50    53    54   1.00000 -1.0 2.0
   53    50    51    33   1.50000 -1.0 2.0
   53    50    51    52  -0.52200  1.0 1.0
   53    50    51    52   0.82950 -1.0 2.0
   53    54    56    57   1.09650  1.0 1.0
   53    54    56    57   0.48950 -1.0 2.0
   53    54    56    57   0.49400  1.0 3.0
   53    54    56    59   7.00000 -1.0 2.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    63   7.00000 -1.0 2.0
   54    56    59    60   0.00000  1.0 1.0
   54    56    59    61   0.00000  1.0 1.0
   54    56    59    62   0.00000  1.0 1.0
   55    54    56    57   1.09700  1.0 1.0
   55    54    56    57   0.56350 -1.0 2.0
   55    54    56    57   0.49350  1.0 3.0
   55    54    56    59   7.00000 -1.0 2.0
   56    57    63    64  -0.18600  1.0 3.0
   56    57    63    65   0.28850  1.0 1.0
   56    57    63    65   2.61350 -1.0 2.0
   56    57    63    65   0.78400  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63    65    66   7.00000 -1.0 2.0
   57    63    65    67   7.00000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65  -0.18600  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.09850  1.0 1.0
   63    65    67    69   0.15250 -1.0 2.0
   63    65    67    69  -0.50650  1.0 3.0
   63    65    67    71   0.39000  1.0 1.0
   63    65    67    71  -0.05800 -1.0 2.0
   63    65    67    71  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    72   0.31000  1.0 1.0
   65    67    69    72   0.14700 -1.0 2.0
   65    67    69    72   0.07550  1.0 3.0
   65    67    69    73   0.61850  1.0 1.0
   65    67    69    73  -0.22750 -1.0 2.0
   65    67    69    73   0.15300  1.0 3.0
   65    67    71    74  -0.77900  1.0 1.0
   65    67    71    74  -0.36900 -1.0 2.0
   65    67    71    74   0.40400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    71   0.00000  1.0 1.0
   67    69    72    78   0.09850  1.0 1.0
   67    69    72    78   0.15250 -1.0 2.0
   67    69    72    78  -0.50650  1.0 3.0
   67    69    72    80   0.46850  1.0 1.0
   67    69    72    80   0.08550 -1.0 2.0
   67    69    72    80   0.09800  1.0 3.0
   67    69    73    84  -0.25900  1.0 1.0
   67    69    73    84  -0.47000 -1.0 2.0
   67    69    73    84   0.11750  1.0 3.0
   67    71    74    75   0.37050  1.0 3.0
   67    71    74    76   0.37050  1.0 3.0
   67    71    74    77   0.37050  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    71    74   0.37050  1.0 3.0
   69    67    71    74   0.06250  1.0 1.0
   69    67    71    74  -0.01100 -1.0 2.0
   69    67    71    74   0.28050  1.0 3.0
   69    72    78    79   7.00000 -1.0 2.0
   69    72    78    86   7.00000 -1.0 2.0
   69    72    80    81   0.34800  1.0 3.0
   69    72    80    82   0.34800  1.0 3.0
   69    72    80    83   0.34800  1.0 3.0
   69    73    84    85   3.00000 -1.0 2.0
   69    73    84    88  -0.80800  1.0 1.0
   69    73    84    88   2.06850 -1.0 2.0
   70    69    72    78   0.00000  1.0 1.0
   70    69    72    80   0.34800  1.0 3.0
   70    69    73    84   0.08050  1.0 3.0
   72    69    73    84  -0.82050  1.0 1.0
   72    69    73    84   0.00600 -1.0 2.0
   72    69    73    84   0.04400  1.0 3.0
   72    78    86    87   0.00000  1.0 1.0
   72    78    86    91   0.09850  1.0 1.0
   72    78    86    91   0.15250 -1.0 2.0
   72    78    86    91  -0.50650  1.0 3.0
   72    78    86    93   0.09850  1.0 1.0
   72    78    86    93   0.15250 -1.0 2.0
   72    78    86    93  -0.50650  1.0 3.0
   78    72    80    81   0.00000  1.0 1.0
   78    72    80    82   0.00000  1.0 1.0
   78    72    80    83   0.00000  1.0 1.0
   78    86    91    92   0.15000  1.0 3.0
   78    86    91    97   0.34400  1.0 1.0
   78    86    91    97   0.09450 -1.0 2.0
   78    86    91    97   0.11100  1.0 3.0
   78    86    91    99   1.05650  1.0 1.0
   78    86    91    99   0.15600 -1.0 2.0
   78    86    91    99   0.53150  1.0 3.0
   78    86    93    94   0.15000  1.0 3.0
   78    86    93    95   0.15000  1.0 3.0
   78    86    93    96   0.15000  1.0 3.0
   79    78    86    87   0.33100  1.0 3.0
   79    78    86    91   0.00000  1.0 1.0
   79    78    86    93   0.00000  1.0 1.0
   86    91    97    98   0.15000  1.0 3.0
   86    91    97   101   0.56750  1.0 1.0
   86    91    97   101  -0.07550 -1.0 2.0
   86    91    97   101   0.20000  1.0 3.0
   86    91    97   104   0.62750  1.0 1.0
   86    91    97   104  -0.30950 -1.0 2.0
   86    91    97   104   0.27300  1.0 3.0
   86    91    99   100  -0.11600  1.0 1.0
   86    91    99   100  -0.09450 -1.0 2.0
   86    91    99   100   0.21250  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    97   0.15000  1.0 3.0
   87    86    91    99   0.23400  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93    96   0.15000  1.0 3.0
   91    86    93    94   0.15000  1.0 3.0
   91    86    93    95   0.15000  1.0 3.0
   91    86    93    96   0.15000  1.0 3.0
   91    97   101   102   0.15000  1.0 3.0
   91    97   101   103   0.15000  1.0 3.0
   91    97   101   105   0.56750  1.0 1.0
   91    97   101   105  -0.07550 -1.0 2.0
   91    97   101   105   0.20000  1.0 3.0
   91    97   104   107   0.06250  1.0 1.0
   91    97   104   107  -0.01100 -1.0 2.0
   91    97   104   107   0.28050  1.0 3.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97   101   0.15000  1.0 3.0
   92    91    97   104   0.23400  1.0 3.0
   92    91    99   100   0.19450  1.0 3.0
   97    91    99   100  -0.11600  1.0 1.0
   97    91    99   100  -0.09450 -1.0 2.0
   97    91    99   100   0.21250  1.0 3.0
   97   101   105   106   0.15000  1.0 3.0
   97   101   105    38   0.56750  1.0 1.0
   97   101   105    38  -0.07550 -1.0 2.0
   97   101   105    38   0.20000  1.0 3.0
   97   101   105   111   0.56750  1.0 1.0
   97   101   105   111  -0.07550 -1.0 2.0
   97   101   105   111   0.20000  1.0 3.0
   97   104   107   108   0.37050  1.0 3.0
   97   104   107   109   0.37050  1.0 3.0
   97   104   107   110   0.37050  1.0 3.0
   98    97   101   102   0.15000  1.0 3.0
   98    97   101   103   0.15000  1.0 3.0
   98    97   101   105   0.15000  1.0 3.0
   98    97   104   107   0.37050  1.0 3.0
  101    97   104   107   0.06250  1.0 1.0
  101    97   104   107  -0.01100 -1.0 2.0
  101    97   104   107   0.28050  1.0 3.0
  101   105    38    33   0.56750  1.0 1.0
  101   105    38    33  -0.07550 -1.0 2.0
  101   105    38    33   0.20000  1.0 3.0
  101   105    38    39   0.15000  1.0 3.0
  101   105    38    40   0.15000  1.0 3.0
  101   105   111   112   0.15000  1.0 3.0
  101   105   111   113   0.15000  1.0 3.0
  101   105   111   114   0.15000  1.0 3.0
  102   101   105   106   0.15000  1.0 3.0
  102   101   105    38   0.15000  1.0 3.0
  102   101   105   111   0.15000  1.0 3.0
  103   101   105   106   0.15000  1.0 3.0
  103   101   105    38   0.15000  1.0 3.0
  103   101   105   111   0.15000  1.0 3.0
  106   105    38    33   0.15000  1.0 3.0
  106   105    38    39   0.15000  1.0 3.0
  106   105    38    40   0.15000  1.0 3.0
  106   105   111   112   0.15000  1.0 3.0
  106   105   111   113   0.15000  1.0 3.0
  106   105   111   114   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.09700  1.0 1.0
   38    33    37    43   0.15600 -1.0 2.0
   38    33    37    43  -0.50800  1.0 3.0
   38    33    51    50   0.65300  1.0 1.0
   38    33    51    50  -0.03850 -1.0 2.0
   38    33    51    50   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38   105   111   112   0.15000  1.0 3.0
   38   105   111   113   0.15000  1.0 3.0
   38   105   111   114   0.15000  1.0 3.0
  111   105    38    33   0.56750  1.0 1.0
  111   105    38    33  -0.07550 -1.0 2.0
  111   105    38    33   0.20000  1.0 3.0
  111   105    38    39   0.15000  1.0 3.0
  111   105    38    40   0.15000  1.0 3.0
  104    97   101   102   0.23400  1.0 3.0
  104    97   101   103   0.23400  1.0 3.0
  104    97   101   105   0.62750  1.0 1.0
  104    97   101   105  -0.30950 -1.0 2.0
  104    97   101   105   0.27300  1.0 3.0
   99    91    97    98   0.23400  1.0 3.0
   99    91    97   101   0.86500  1.0 1.0
   99    91    97   101  -0.17500 -1.0 2.0
   99    91    97   101   0.20800  1.0 3.0
   99    91    97   104   3.69350  1.0 1.0
   99    91    97   104  -1.82950 -1.0 2.0
   93    86    91    92   0.15000  1.0 3.0
   93    86    91    97   0.56750  1.0 1.0
   93    86    91    97  -0.07550 -1.0 2.0
   93    86    91    97   0.20000  1.0 3.0
   93    86    91    99   0.86500  1.0 1.0
   93    86    91    99  -0.17500 -1.0 2.0
   93    86    91    99   0.20800  1.0 3.0
   80    72    78    79   7.00000 -1.0 2.0
   80    72    78    86   7.00000 -1.0 2.0
   73    69    72    78   0.39000  1.0 1.0
   73    69    72    78  -0.05800 -1.0 2.0
   73    69    72    78  -0.55150  1.0 3.0
   73    69    72    80   0.09700  1.0 1.0
   73    69    72    80   0.15600 -1.0 2.0
   73    69    72    80  -0.50800  1.0 3.0
   73    84    88    89   2.56700 -1.0 2.0
   73    84    88    90   2.56700 -1.0 2.0
   85    84    88    89   2.45000 -1.0 2.0
   85    84    88    90   2.45000 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    72   0.61850  1.0 1.0
   71    67    69    72  -0.22750 -1.0 2.0
   71    67    69    72   0.15300  1.0 3.0
   71    67    69    73   1.11900  1.0 1.0
   71    67    69    73  -1.16350 -1.0 2.0
   71    67    69    73  -0.34150  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    44   7.00000 -1.0 2.0
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    43    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    45    44    50   1.10000 -1.0 2.0
   51    53    50    44   1.10000 -1.0 2.0
   33    50    51    52  10.50000 -1.0 2.0
   56    55    54    53  10.50000 -1.0 2.0
   54    59    56    57   1.10000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    80    72    78   1.10000 -1.0 2.0
   86    79    78    72   1.10000 -1.0 2.0
   73    88    84    85  10.50000 -1.0 2.0
   90    84    88    89   1.00000 -1.0 2.0
END
