* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    206    323     595
    1     0 S   NP   _N1_     1    28.85563    96.32102   -19.12543
    2     1 S   H    _HN1     2     1.02835    45.59601   151.32840
    3     1 S   H    _H1_     3     1.02778    74.68825   -73.11692
    4     1 S   H    _H2_     4     1.02958    89.15442    36.14461
    5     1 S   CT   _CA1     5     1.50112   154.45940   177.23955
    6     5 S   HC   _HA1     6     1.09575   105.25563    39.73001
    7     5 S   CO3  _C1_     7     1.53819   112.29269   -80.51518
    8     7 S   O2Z  _O11     8     1.26363   115.00815   -46.05779
    9     7 S   O2Z  _O12     9     1.26233   114.92953   133.06933
   10     5 S   CT   _CB1    10     1.53098   107.42341   157.63141
   11    10 S   HC   HB11    11     1.09822   109.43155   -50.69727
   12    10 S   HC   HB12    12     1.09820   110.40913    65.89367
   13    10 S   CT   _CG1    13     1.52967   112.58498  -171.78269
   14    13 S   HC   HG11    14     1.09616   110.39268   -61.94059
   15    13 S   HC   HG12    15     1.09646   110.06191    57.23456
   16    13 S   C    _CD1    16     1.51808   112.32487   177.65123
   17    16 S   O    _OE1    17     1.22708   123.34621    -4.97544
   18    16 S   N    _N2_    18     1.38423   111.48647   175.16734
   19    18 S   H    _HN2    19     1.01814   118.97909     1.86708
   20    18 S   CT1  _CA2    20     1.46055   123.84246  -177.65098
   21    20 S   HC   _HA2    21     1.09711   109.60939   -17.28348
   22    20 S   C    _C2_    22     1.53384   107.60070  -133.21873
   23    22 S   O    _O2_    23     1.23043   122.47248  -139.27793
   24    20 S   CT   _CB2    32     1.53389   111.16194   105.39776
   25    24 S   HC   HB21    33     1.09281   109.51426    50.85085
   26    24 S   HC   HB22    34     1.09407   109.64729   169.58682
   27    22 S   N    _N3_    24     1.38500   113.20981    47.06912
   28    27 S   H    _HN3    25     1.01516   119.00100    -0.51586
   29    24 S   S    _SG2    35     1.83010   112.00237   -71.22661
   30    27 S   CT   _CA3    26     1.45382   123.10039   176.35471
   31    30 S   HC   HA31    27     1.09555   108.84630    30.66187
   32    30 S   HC   HA32    28     1.09486   107.19182   147.57060
   33    29 S   CT   _C11    36     1.87527   102.35810   162.36818
   34    30 S   CO3  _C3_    29     1.52937   113.49306   -92.56390
   35    34 S   O2Z  _O31    30     1.26378   115.60154   -39.90208
   36    34 S   O2Z  _O32    31     1.26387   114.85183   141.07563
   37    33 S   CM   _C10    37     1.52620   109.56549    42.40089
   38    33 S   CM   _C15   109     1.52580   105.51566   167.97479
   39    38 S   HC   _H14   110     1.09091   115.71106    48.96322
   40    37 S   N    _N5_    38     1.37058   108.55576  -114.69131
   41    40 S   H    _H10    39     1.01358   123.10648   176.94899
   42    37 S   CM   _C9_    48     1.34499   126.60964    63.08987
   43    42 S   HC   _H9_    49     1.08739   119.07808     4.49309
   44    38 S   CM   _C16   111     1.34026   128.24443  -133.81882
   45    44 S   HC   _H15   112     1.08547   120.00715  -178.72758
   46    44 S   HC   _H16   113     1.08321   122.89788     0.22294
   47    40 S   C    _C13    40     1.38043   114.62139    -2.23590
   48    47 S   O    _O33    41     1.22141   126.67000   177.61181
   49    42 S   C5A  _C8_    50     1.41634   124.65304  -175.48239
   50    33 S   CT   _C12    42     1.56368   115.18994   -73.30396
   51    50 S   HC   _H3_    43     1.10104   109.26017  -140.48371
   52    49 S   C5BC _C5_    51     1.38438   133.02126  -128.56268
   53    50 S   CT   _C14    44     1.52310   118.82354   -17.52444
   54    53 S   HC   _H11    45     1.09396   112.35381    68.50753
   55    53 S   HC   _H12    46     1.09438   111.31793   -54.25905
   56    53 S   HC   _H13    47     1.09625   110.12046  -173.28087
   57    52 S   C5BC _C6_    52     1.43764   107.11296  -174.67763
   58    52 S   CT   _C4_   105     1.48844   126.69084     4.35959
   59    58 S   HC   _H5_   106     1.09461   110.17402  -106.11305
   60    58 S   HC   _H6_   107     1.09450   111.71224    14.10257
   61    58 S   HC   _H7_   108     1.09463   110.67822   133.91908
   62    57 S   C5A  _C7_    53     1.38876   107.32893    -0.10087
   63    57 S   CT   _C34    96     1.50050   125.98892   179.45679
   64    63 S   HC   _H34    97     1.09714   109.69896  -145.22509
   65    63 S   HC   _H35    98     1.09725   109.26349   -29.75074
   66    49 S   NA   _N4_    54     1.37344   119.12607    57.21654
   67    66 S   H    _H8_    55     1.01163   124.94041    -2.59224
   68    62 S   CM   _C17    56     1.42173   132.53139   176.15157
   69    68 S   HC   _H17    57     1.08648   115.74185   -29.52360
   70    63 S   CT   _C35    99     1.52559   112.15351    92.41090
   71    70 S   HC   _H36   100     1.09763   109.71872    61.61067
   72    70 S   HC   _H37   101     1.09769   109.78641   -55.51023
   73    68 S   CM   _C18    58     1.34406   124.89030   148.73218
   74    70 S   CO3  _C36   102     1.53102   114.92265  -176.80341
   75    74 S   O2Z  _O38   103     1.26528   114.05188   178.84818
   76    74 S   O2Z  _O37   104     1.26134   116.68490    -0.94667
   77    73 S   CM   _C19    59     1.45704   126.13784   179.68534
   78    77 S   CM   _C20    60     1.34024   109.90586   178.83081
   79    77 S   CT   _C31    87     1.50101   124.14116    -2.84482
   80    79 S   HC   _H30    88     1.09744   109.73534  -153.94541
   81    79 S   HC   _H31    89     1.09707   110.12599   -39.16881
   82    78 S   CD   _C21    61     1.47114   101.66705    -0.67173
   83    78 S   CT   _C30    83     1.47769   132.67605  -179.38706
   84    83 S   HC   _H27    84     1.09462   110.51447   124.99435
   85    83 S   HC   _H28    85     1.09364   112.12538     5.31190
   86    83 S   HC   _H29    86     1.09435   110.45690  -115.02199
   87    79 S   CT   _C32    90     1.52694   112.25156    84.54629
   88    87 S   HC   _H32    91     1.09691   110.25516   -62.16584
   89    87 S   HC   _H33    92     1.09784   109.59029    55.50445
   90    73 S   NI   _N6_    62     1.37861   125.80479    -2.23257
   91    82 S   CT   _C22    63     1.51029   121.35522  -176.22576
   92    91 S   HC   _H18    64     1.09643   109.21488   -35.64300
   93    91 S   HC   _H19    65     1.09674   106.20409    80.08290
   94    87 S   CO3  _C33    93     1.53207   114.59905   176.56310
   95    94 S   O2Z  _O36    94     1.26504   114.08640  -171.10695
   96    94 S   O2Z  _O35    95     1.26139   116.65376     8.93785
   97    91 S   CT   _C23    66     1.52684   112.89265  -159.00477
   98    97 S   HC   _H4_    67     1.09435   111.80269   -47.60213
   99    97 S   CM   _C24    68     1.50784   113.95077  -173.43000
  100    99 S   CM   _C25    69     1.34483   112.89230  -118.38937
  101    99 S   CT   _C29    79     1.49351   119.06671    65.07072
  102   101 S   HC   _H24    80     1.09410   110.51019   -74.28176
  103   101 S   HC   _H25    81     1.09326   112.59874   164.70826
  104   101 S   HC   _H26    82     1.09508   110.16007    45.48682
  105   100 S   C    _C26    70     1.48372   106.32024    -1.88253
  106   105 S   O    _O34    71     1.21959   125.27086  -177.90165
  107   100 S   CM   _C27    74     1.43671   131.40678  -177.33950
  108   107 S   HC   _H21    75     1.08755   116.18381   135.65368
  109    97 S   N    _N7_    72     1.43758   111.63357    73.30631
  110   109 S   H    _H20    73     1.01596   123.96912   -61.08155
  111   107 S   CM   _C28    76     1.33792   125.12240   -47.03786
  112   111 S   HC   _H22    77     1.08510   120.21147  -178.68836
  113   111 S   HC   _H23    78     1.08472   122.21905     0.67289
  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
  19   2   1   1  15  10   4   9   4  10   3   3   1   1   7   3
  11   5   4  13   3   2   1   1  17   6   2   1   1  11  10   5
   4   4   1   7   3   5   4   3  10   2   1   1  15  14  11   5
   4  12   5   2   1   1   5   4   3   4  10   5   4   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    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    50    51    53    42    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    50    51    53    54    55    56    42    43    49    38    39    44    45    46  
   35    36  
   36  
    0  
   40    41    47    48    50    51    53    42    43    49    52    66    38    39    44  
   39    44    45    46    40    42    47    50    51    53  
   44    45    46    50  
   41    47    48    50    51    53    42    43    49  
   47    48    50    42  
   43    49    52    57    62    66    67    58    47    50  
   49    52    66  
   45    46    50  
   46  
    0  
   48    50    51    53    54    55    56  
   50    51    53  
   52    57    62    66    67    68    63    58    59    60    61  
   51    53    54    55    56  
   53    54    55    56  
   57    62    66    67    68    63    64    65    70    58    59    60    61  
   54    55    56  
   55    56  
   56  
    0  
   62    66    67    68    69    73    63    64    65    70    71    72    74    58    59    60    61  
   59    60    61    62    63    66  
   60    61  
   61  
    0  
   66    67    68    69    73    77    90    63    64    65    70  
   64    65    70    71    72    74    75    76    66    68  
   65    70    71    72    74  
   70    71    72    74  
   67    68    69    73  
   68  
   69    73    77    78    82    90    79  
   73    77    90  
   71    72    74    75    76  
   72    74    75    76  
   74    75    76  
   77    78    82    90    91    83    79    80    81    87  
   75    76  
   76  
    0  
   78    82    90    91    83    84    85    86    79    80    81    87    88    89    94  
   82    90    91    92    93    97    83    84    85    86    79    80    81    87  
   80    81    87    88    89    94    95    96    82    83    90  
   81    87    88    89    94  
   87    88    89    94  
   90    91    92    93    97    98    99   109    83    84    85    86  
   84    85    86    90    91  
   85    86  
   86  
    0  
   88    89    94    95    96  
   89    94    95    96  
   94    95    96  
   91    92    93    97  
   92    93    97    98    99   100   105   109   110   101  
   93    97    98    99   109  
   97    98    99   109  
   95    96  
   96  
    0  
   98    99   100   105   106   109   110   107   101   102   103   104  
   99   100   105   109   110   101  
  100   105   106   109   110   107   108   111   101   102   103   104  
  105   106   109   110   107   108   111   112   113   101   102   103   104  
  102   103   104   105   107   109  
  103   104  
  104  
    0  
  106   109   110   107   108   111  
  109   110   107  
  108   111   112   113   109  
  111   112   113  
  110  
    0  
  112   113  
  113  
    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   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   41   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.005000   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   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   67   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.356900   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   91   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  107   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  110   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  111   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   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   317.000  1.510
   33    50   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    42   549.000  1.340
   40    41   434.000  1.010
   40    47   490.000  1.335
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   340.000  1.080
   42    49   375.000  1.423
   49    52   546.000  1.367
   49    66   427.000  1.381
   52    57   469.000  1.424
   52    58   285.000  1.502
   57    62   546.000  1.367
   57    63   285.000  1.502
   62    66   427.000  1.381
   62    68   375.000  1.423
   66    67   434.000  1.010
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    77   380.000  1.444
   73    90   405.000  1.380
   77    78   549.000  1.340
   77    79   317.000  1.510
   78    82   320.000  1.464
   78    83   317.000  1.510
   82    90   500.000  1.261
   82    91   270.000  1.508
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    97   268.000  1.529
   97    98   340.000  1.090
   97    99   317.000  1.510
   97   109   337.000  1.449
   99   100   549.000  1.340
   99   101   317.000  1.510
  100   105   410.000  1.444
  100   107   380.000  1.444
  105   106   570.000  1.229
  105   109   490.000  1.335
  109   110   434.000  1.010
  107   108   340.000  1.080
  107   111   549.000  1.340
  111   112   340.000  1.080
  111   113   340.000  1.080
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   317.000  1.522
   94    95   656.000  1.250
   94    96   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.522
   74    75   656.000  1.250
   74    76   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    50    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    50    47    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    41    45.00000  117.55000
   37    40    47    70.00000  120.89900
   37    42    43    35.00000  120.00000
   37    42    49    55.00000  128.24000
   40    47    48    80.00000  122.90000
   40    47    50    70.00000  116.60000
   47    40    41    35.00000  119.80000
   47    50    51    35.00000  109.50000
   47    50    53    63.00000  111.10000
   50    33    37    70.00000  112.02700
   50    47    48    80.00000  120.40000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   53    50    51    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    37    40    75.00000  120.83300
   42    49    52    50.00000  133.16000
   42    49    66    70.00000  120.38000
   49    42    43    40.00000  117.26300
   49    52    57    70.00000  107.30000
   49    52    58    60.00000  130.00000
   49    66    62    70.00000  109.80000
   49    66    67    35.00000  120.00000
   52    57    62    70.00000  107.30000
   52    57    63    60.00000  130.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   57    62    66    70.00000  107.70000
   57    62    68    50.00000  133.16000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    70    70.00000  112.17500
   62    66    67    35.00000  120.00000
   62    68    69    40.00000  117.26300
   62    68    73    55.00000  128.24000
   66    49    52    70.00000  107.70000
   68    62    66    70.00000  120.38000
   68    73    77    70.00000  123.01800
   68    73    90    70.00000  120.83400
   73    68    69    35.00000  120.00000
   73    77    78    70.00000  123.01800
   73    77    79    70.00000  124.00000
   73    90    82    75.00000  115.77100
   77    78    82    60.00000  120.31500
   77    78    83    70.00000  124.00000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    87    70.00000  112.02700
   78    82    90    70.00000  121.86000
   78    82    91    65.00000  117.24000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   82    91    92    45.00000  109.49600
   82    91    93    45.00000  109.49600
   82    91    97    70.00000  111.76100
   90    73    77    70.00000  120.83400
   91    82    90    65.00000  122.10100
   91    97    98    37.50000  110.70000
   91    97    99    70.00000  112.02700
   91    97   109    70.00000  110.72300
   93    91    92    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    37.50000  110.70000
   97    99   100    70.00000  124.00000
   97    99   101    65.00000  117.92700
   97   109   105    50.00000  121.90000
   97   109   110    38.00000  118.40000
   99    97    98    35.00000  109.50000
   99   100   105    70.00000  118.70000
   99   100   107    70.00000  123.01800
   99   101   102    35.00000  109.50000
   99   101   103    35.00000  109.50000
   99   101   104    35.00000  109.50000
  100   105   106    80.00000  125.30000
  100   105   109    80.00000  111.56200
  100   107   108    35.00000  120.00000
  100   107   111    70.00000  123.01800
  105   109   110    35.00000  119.80000
  109    97    98    35.00000  109.50000
  109    97    99    75.00000  110.78400
  109   105   106    80.00000  122.90000
  107   100   105    70.00000  118.70000
  107   111   112    35.00000  120.00000
  107   111   113    35.00000  120.00000
  111   107   108    35.00000  120.00000
  113   111   112    35.00000  117.00000
  101    99   100    70.00000  124.00000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   83    78    82    65.00000  117.22000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    77    78    70.00000  124.00000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    94    70.00000  109.69300
   81    79    80    33.00000  107.80000
   87    79    80    37.50000  110.70000
   87    79    81    37.50000  110.70000
   87    94    95    70.00000  117.00000
   87    94    96    70.00000  117.00000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   96    94    95    80.00000  126.00000
   63    57    62    60.00000  130.00000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    74    70.00000  109.69300
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    74    75    70.00000  117.00000
   70    74    76    70.00000  117.00000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   76    74    75    80.00000  126.00000
   58    52    57    60.00000  130.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    50    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.56750  1.0 1.0
   29    33    50    47  -0.07550 -1.0 2.0
   29    33    50    47   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    41   2.40850 -1.0 2.0
   33    37   -40    47  -0.45200  1.0 1.0
   33    37   -40    47   0.85900 -1.0 2.0
   33    37   -40    47   0.16650  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    56   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33   -50    47  -0.98800  1.0 1.0
   37    33   -50    47   0.48800 -1.0 2.0
   37    33   -50    47   0.76800  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    53   0.34400  1.0 1.0
   37    33    50    53   0.09450 -1.0 2.0
   37    33    50    53   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    47    48   2.67200 -1.0 2.0
   37    40   -47    50   0.67100  1.0 1.0
   37    40   -47    50   1.42150 -1.0 2.0
   37    40   -47    50   0.18700  1.0 3.0
   37    42    49    52   0.15800  1.0 1.0
   37    42    49    52   1.85350 -1.0 2.0
   37    42    49    52  -0.48700  1.0 3.0
   37    42    49    66   0.11450  1.0 1.0
   37    42    49    66   1.85100 -1.0 2.0
   37    42    49    66  -0.49050  1.0 3.0
   40    37    42    43   7.00000 -1.0 2.0
   40    37    42    49   7.00000 -1.0 2.0
   40    47   -50    33   1.39750  1.0 1.0
   40    47   -50    33  -0.07950 -1.0 2.0
   40    47   -50    33  -0.18750  1.0 3.0
   40    47    50    51   0.00000  1.0 1.0
   40    47    50    53   1.39750  1.0 1.0
   40    47    50    53  -0.07950 -1.0 2.0
   40    47    50    53  -0.18750  1.0 3.0
   41    40    47    48   2.45000 -1.0 2.0
   41    40    47    50   2.45000 -1.0 2.0
   47    50    53    54  -0.11250  1.0 3.0
   47    50    53    55  -0.11250  1.0 3.0
   47    50    53    56  -0.11250  1.0 3.0
   48    47    50    33   0.30150 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.30150 -1.0 2.0
   50    33   -37    40  -0.93550  1.0 1.0
   50    33   -37    40   0.38900 -1.0 2.0
   50    33   -37    40   0.16950  1.0 3.0
   50    33    37    42   0.09850  1.0 1.0
   50    33    37    42   0.15250 -1.0 2.0
   50    33    37    42  -0.50650  1.0 3.0
   50    33    38    39   0.00000  1.0 1.0
   50    33    38    44   0.09850  1.0 1.0
   50    33    38    44   0.15250 -1.0 2.0
   50    33    38    44  -0.50650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   42    37    40    41   0.78350 -1.0 2.0
   42    37    40    47  -0.18900  1.0 1.0
   42    37    40    47   1.70900 -1.0 2.0
   42    49    52    57   3.62500 -1.0 2.0
   42    49    52    58   3.62500 -1.0 2.0
   42    49    66    62   3.62500 -1.0 2.0
   42    49    66    67   2.00000 -1.0 2.0
   43    42    49    52   0.56550  1.0 3.0
   43    42    49    66   0.54250  1.0 3.0
   49    52   -57    62   3.62500 -1.0 2.0
   49    52    57    63   3.62500 -1.0 2.0
   49    52    58    59   0.00000  1.0 1.0
   49    52    58    60   0.00000  1.0 1.0
   49    52    58    61   0.00000  1.0 1.0
   52    49   -66    62   3.62500 -1.0 2.0
   52    49    66    67   2.00000 -1.0 2.0
   52    57   -62    66   3.62500 -1.0 2.0
   52    57    62    68   3.62500 -1.0 2.0
   52    57    63    64   0.00000  1.0 1.0
   52    57    63    65   0.00000  1.0 1.0
   52    57    63    70   0.04150 -1.0 2.0
   57    52    58    59   0.00000  1.0 1.0
   57    52    58    60   0.00000  1.0 1.0
   57    52    58    61   0.00000  1.0 1.0
   57    62   -66    49   3.62500 -1.0 2.0
   57    62    66    67   2.00000 -1.0 2.0
   57    62    68    69   0.56550  1.0 3.0
   57    62    68    73   0.15800  1.0 1.0
   57    62    68    73   1.85350 -1.0 2.0
   57    62    68    73  -0.48700  1.0 3.0
   57    63    70    71   0.43200  1.0 3.0
   57    63    70    72   0.43200  1.0 3.0
   57    63    70    74  -2.95950  1.0 1.0
   57    63    70    74   0.02300  1.0 3.0
   62    57    63    64   0.00000  1.0 1.0
   62    57    63    65   0.00000  1.0 1.0
   62    57    63    70   0.04150 -1.0 2.0
   62    68    73    77   7.00000 -1.0 2.0
   62    68    73    90   7.00000 -1.0 2.0
   66    49   -52    57   3.62500 -1.0 2.0
   66    49    52    58   3.62500 -1.0 2.0
   66    62    68    69   0.54250  1.0 3.0
   66    62    68    73   0.11450  1.0 1.0
   66    62    68    73   1.85100 -1.0 2.0
   66    62    68    73  -0.49050  1.0 3.0
   68    62    66    49   3.62500 -1.0 2.0
   68    62    66    67   2.00000 -1.0 2.0
   68    73    77    78   0.28850  1.0 1.0
   68    73    77    78   2.61350 -1.0 2.0
   68    73    77    78   0.78400  1.0 3.0
   68    73    77    79  -0.18600  1.0 3.0
   68    73    90    82   1.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   69    68    73    90   7.00000 -1.0 2.0
   73    77   -78    82   7.00000 -1.0 2.0
   73    77    78    83   7.00000 -1.0 2.0
   73    77    79    80   0.00000  1.0 1.0
   73    77    79    81   0.00000  1.0 1.0
   73    77    79    87   0.98200  1.0 1.0
   73    77    79    87  -0.11900 -1.0 2.0
   73    77    79    87   0.24250  1.0 3.0
   77    73   -90    82   1.00000 -1.0 2.0
   77    78   -82    90   1.09650  1.0 1.0
   77    78   -82    90   0.48950 -1.0 2.0
   77    78   -82    90   0.49400  1.0 3.0
   77    78    82    91   0.69550 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    79    87    88   0.15000  1.0 3.0
   77    79    87    89   0.15000  1.0 3.0
   77    79    87    94  -0.98800  1.0 1.0
   77    79    87    94   0.48800 -1.0 2.0
   77    79    87    94   0.76800  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    87   0.09850  1.0 1.0
   78    77    79    87   0.15250 -1.0 2.0
   78    77    79    87  -0.50650  1.0 3.0
   78    82   -90    73   6.00000 -1.0 2.0
   78    82    91    92   0.00000  1.0 1.0
   78    82    91    93   0.00000  1.0 1.0
   78    82    91    97   0.09850  1.0 1.0
   78    82    91    97   0.15250 -1.0 2.0
   78    82    91    97  -0.50650  1.0 3.0
   82    78    83    84   0.00000  1.0 1.0
   82    78    83    85   0.00000  1.0 1.0
   82    78    83    86   0.00000  1.0 1.0
   82    91    97    98   0.15000  1.0 3.0
   82    91    97    99   0.31000  1.0 1.0
   82    91    97    99   0.14700 -1.0 2.0
   82    91    97    99   0.07550  1.0 3.0
   82    91    97   109   0.10350  1.0 1.0
   82    91    97   109  -0.04400 -1.0 2.0
   82    91    97   109   0.08800  1.0 3.0
   90    73   -77    78  -0.18600  1.0 3.0
   90    73    77    79   1.08500 -1.0 2.0
   90    82    91    92   0.00000  1.0 1.0
   90    82    91    93   0.00000  1.0 1.0
   90    82    91    97   0.00000  1.0 1.0
   91    82    90    73   6.00000 -1.0 2.0
   91    97    99   100   0.09850  1.0 1.0
   91    97    99   100   0.15250 -1.0 2.0
   91    97    99   100  -0.50650  1.0 3.0
   91    97    99   101   0.46850  1.0 1.0
   91    97    99   101   0.08550 -1.0 2.0
   91    97    99   101   0.09800  1.0 3.0
   91    97   109   105  -0.43950  1.0 1.0
   91    97   109   105  -0.08100 -1.0 2.0
   91    97   109   105   0.03350  1.0 3.0
   91    97   109   110   0.00000  1.0 1.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97    99   0.15000  1.0 3.0
   92    91    97   109   0.15000  1.0 3.0
   93    91    97    98   0.15000  1.0 3.0
   93    91    97    99   0.15000  1.0 3.0
   93    91    97   109   0.15000  1.0 3.0
   97    99  -100   105   7.00000 -1.0 2.0
   97    99   100   107   7.00000 -1.0 2.0
   97    99   101   102   0.34800  1.0 3.0
   97    99   101   103   0.34800  1.0 3.0
   97    99   101   104   0.34800  1.0 3.0
   98    97    99   100   0.00000  1.0 1.0
   98    97    99   101   0.34800  1.0 3.0
   98    97   109   105   0.00000  1.0 1.0
   98    97   109   110   0.00000  1.0 1.0
   99    97  -109   105  -0.19250  1.0 1.0
   99    97  -109   105  -0.00500 -1.0 2.0
   99    97  -109   105   0.17000  1.0 3.0
   99    97   109   110   0.00000  1.0 1.0
   99   100   105   106   1.00000 -1.0 2.0
   99   100  -105   109   0.49500  1.0 1.0
   99   100  -105   109   1.31600 -1.0 2.0
   99   100  -105   109  -0.02300  1.0 3.0
   99   100   107   108  -0.18600  1.0 3.0
   99   100   107   111   0.28850  1.0 1.0
   99   100   107   111   2.61350 -1.0 2.0
   99   100   107   111   0.78400  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.00000  1.0 1.0
  100    99   101   104   0.00000  1.0 1.0
  100   105  -109    97   1.49850  1.0 1.0
  100   105  -109    97   1.53950 -1.0 2.0
  100   105   109   110   2.56700 -1.0 2.0
  100   107   111   112   7.00000 -1.0 2.0
  100   107   111   113   7.00000 -1.0 2.0
  105   100   107   108   0.00000  1.0 1.0
  105   100   107   111  -0.18600  1.0 3.0
  106   105   109    97   3.04450 -1.0 2.0
  106   105   109   110   2.45000 -1.0 2.0
  109    97   -99   100   0.62150  1.0 1.0
  109    97   -99   100   0.42850 -1.0 2.0
  109    97   -99   100  -0.68200  1.0 3.0
  109    97    99   101   0.09700  1.0 1.0
  109    97    99   101   0.15600 -1.0 2.0
  109    97    99   101  -0.50800  1.0 3.0
  107   100   105   106   1.00000 -1.0 2.0
  107   100   105   109   0.49500  1.0 1.0
  107   100   105   109   1.31600 -1.0 2.0
  107   100   105   109  -0.02300  1.0 3.0
  108   107   111   112   7.00000 -1.0 2.0
  108   107   111   113   7.00000 -1.0 2.0
  101    99   100   105   7.00000 -1.0 2.0
  101    99   100   107   7.00000 -1.0 2.0
   83    78    82    90   7.00000 -1.0 2.0
   83    78    82    91   7.00000 -1.0 2.0
   79    77    78    82   7.00000 -1.0 2.0
   79    77    78    83   7.00000 -1.0 2.0
   79    87    94    95   0.41150 -1.0 2.0
   79    87    94    96   0.41150 -1.0 2.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    89   0.15000  1.0 3.0
   80    79    87    94  -0.11250  1.0 3.0
   81    79    87    88   0.15000  1.0 3.0
   81    79    87    89   0.15000  1.0 3.0
   81    79    87    94  -0.11250  1.0 3.0
   88    87    94    95   0.00000  1.0 1.0
   88    87    94    96   0.00000  1.0 1.0
   89    87    94    95   0.00000  1.0 1.0
   89    87    94    96   0.00000  1.0 1.0
   63    57    62    66   3.62500 -1.0 2.0
   63    57    62    68   3.62500 -1.0 2.0
   63    70    74    75   0.41150 -1.0 2.0
   63    70    74    76   0.41150 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    74  -0.11250  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    74  -0.11250  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   72    70    74    75   0.00000  1.0 1.0
   72    70    74    76   0.00000  1.0 1.0
   58    52    57    62   3.62500 -1.0 2.0
   58    52    57    63   3.62500 -1.0 2.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    42  -0.28300  1.0 1.0
   38    33    37    42   0.26700 -1.0 2.0
   38    33    37    42  -0.63300  1.0 3.0
   38    33    50    47  -0.98800  1.0 1.0
   38    33    50    47   0.48800 -1.0 2.0
   38    33    50    47   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.34400  1.0 1.0
   38    33    50    53   0.09450 -1.0 2.0
   38    33    50    53   0.11100  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   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    40    37    42   1.10000 -1.0 2.0
   41    47    40    37   1.00000 -1.0 2.0
   40    50    47    48  10.50000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   52    66    49    42   4.00000 -1.0 2.0
   57    58    52    49   4.00000 -1.0 2.0
   62    63    57    52   4.00000 -1.0 2.0
   68    66    62    57   4.00000 -1.0 2.0
   67    49    66    62   1.00000 -1.0 2.0
   62    69    68    73   1.10000 -1.0 2.0
   77    90    73    68   1.10000 -1.0 2.0
   73    79    77    78   1.10000 -1.0 2.0
   82    83    78    77   1.10000 -1.0 2.0
   78    91    82    90  10.50000 -1.0 2.0
   97   101    99   100   1.10000 -1.0 2.0
  105   107   100    99   1.10000 -1.0 2.0
  100   109   105   106  10.50000 -1.0 2.0
  110   105   109    97   1.00000 -1.0 2.0
  100   108   107   111  15.00000 -1.0 2.0
  112   113   111   107  15.00000 -1.0 2.0
   95    87    94    96  10.50000 -1.0 2.0
   75    70    74    76  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
