* LIGAND DATABASE FILE (OPLS2005)
*
001     106   105    187    269     544
    1     0 S   NP   _N1_     1    31.06878    90.37086   -28.25807
    2     1 S   H    _HN1     2     1.02804    19.68310   -89.18691
    3     1 S   H    _H1_     3     1.02770   126.61430  -110.51007
    4     1 S   H    _H2_     4     1.02973   103.20991    14.70542
    5     1 S   CT   _CA1     5     1.50220    95.08830   126.84834
    6     5 S   HC   _HA1     6     1.09580   105.16354    71.62152
    7     5 S   CO3  _C1_     7     1.53831   112.43943   -48.24143
    8     7 S   O2Z  _O11     8     1.26364   115.06552   -38.56441
    9     7 S   O2Z  _O12     9     1.26270   114.94114   140.23843
   10     5 S   CT   _CB1    10     1.53002   107.16972  -170.68409
   11    10 S   HC   HB11    11     1.09820   109.11134   -51.02431
   12    10 S   HC   HB12    12     1.09779   110.32694    65.31183
   13    10 S   CT   _CG1    13     1.52976   113.05900  -172.38511
   14    13 S   HC   HG11    14     1.09584   110.22113   -64.35153
   15    13 S   HC   HG12    15     1.09620   110.31247    54.99865
   16    13 S   C    _CD1    16     1.51759   111.91934   174.92727
   17    16 S   O    _OE1    17     1.22752   123.21872   -15.05924
   18    16 S   N    _N2_    18     1.38674   111.98446   166.32376
   19    18 S   H    _HN2    19     1.01554   119.18322     4.12103
   20    18 S   CT1  _CA2    20     1.45993   122.97777  -176.88567
   21    20 S   HC   _HA2    21     1.09555   108.94840     8.94747
   22    20 S   C    _C2_    22     1.53578   110.15067  -106.51351
   23    22 S   O    _O2_    23     1.23136   121.90123  -152.65396
   24    20 S   CT   _CB2    32     1.53497   111.74482   130.63515
   25    24 S   HC   HB21    33     1.09699   109.16863    69.76164
   26    24 S   HC   HB22    34     1.09527   110.82751  -173.93447
   27    22 S   N    _N3_    24     1.38213   114.22230    34.75649
   28    27 S   H    _HN3    25     1.01569   119.66405    -3.42062
   29    24 S   S    _SG2    35     1.83140   115.78620   -49.21219
   30    27 S   CT   _CA3    26     1.45297   123.06025   176.92203
   31    30 S   HC   HA31    27     1.09557   107.50420   -63.76977
   32    30 S   HC   HA32    28     1.09561   107.95127    52.61028
   33    29 S   CT   _C10    36     1.84771   101.84585   -61.49226
   34    33 S   HC   _H4_    37     1.09306   105.90949    50.18260
   35    30 S   CO3  _C3_    29     1.52922   114.22814   174.58905
   36    35 S   O2Z  _O31    30     1.26349   116.10763    -1.71828
   37    35 S   O2Z  _O32    31     1.26439   114.38702   178.35420
   38    33 S   CM   _C11    38     1.50943   109.96753   -67.90816
   39    38 S   HC   _H18    39     1.08711   118.07375   -68.65206
   40    33 S   CM   _C8_    87     1.53897   108.91336   167.59681
   41    38 S   CM   _C12    40     1.34317   123.39550   110.51439
   42    41 S   HC   _H19    41     1.08764   119.30943    -0.13706
   43    40 S   CMA  _C7_    88     1.36877   121.72817  -120.73468
   44    43 S   OM   _O36    89     1.26219   128.52409    -5.53969
   45    40 S   CT   _C9_   103     1.51791   116.63076    57.69039
   46    45 S   HC   _H15   104     1.09497   110.36272  -100.98013
   47    45 S   HC   _H16   105     1.09376   112.37059    19.18539
   48    45 S   HC   _H17   106     1.09527   111.43791   137.51943
   49    41 S   CT   _C13    42     1.50307   124.08999  -179.19351
   50    49 S   HC   _H20    43     1.09807   111.37709    -3.12462
   51    49 S   HC   _H21    44     1.09779   108.24443   112.27205
   52    43 S   NE   _N4_    90     1.40302   120.04637   172.82756
   53    52 S   H    _H14    91     1.01374   114.62386    -1.24882
   54    49 S   CT   _C14    45     1.53462   112.71824  -127.35814
   55    54 S   HC   _H5_    46     1.09703   109.64307   -56.53960
   56    52 S   CT   _C5_    92     1.46656   130.62663  -171.71701
   57    56 S   HC   _H3_    93     1.09623   109.91322   -46.44992
   58    54 S   CM   _C15    47     1.50434   112.34749    67.64579
   59    58 S   HC   _H22    48     1.08636   116.19639    70.91606
   60    54 S   OH   _O35    85     1.42813   108.12468  -172.72392
   61    60 S   HO   _H43    86     0.97270   107.41184   179.60386
   62    56 S   CT   _C4_    94     1.52927   110.05454    75.30388
   63    62 S   HC   _H8_    95     1.09594   111.24123    57.31236
   64    62 S   HC   _H9_    96     1.09400   111.70857   -62.69121
   65    62 S   HC   _H10    97     1.09523   110.78973   177.58176
   66    56 S   CT   _C6_    98     1.53638   109.16042  -165.03114
   67    66 S   HC   _H11    99     1.09504   110.42998  -174.89523
   68    66 S   HC   _H12   100     1.09571   111.44317   -54.15377
   69    58 S   CM   _C16    49     1.34283   122.82228  -107.49309
   70    69 S   HC   _H23    50     1.08975   117.42049     0.13706
   71    66 S   OH   _O33   101     1.42215   110.23951    66.13331
   72    71 S   HO   _H13   102     0.97236   107.04905   178.51128
   73    69 S   CM   _C17    51     1.46191   126.83046   178.05801
   74    73 S   CM   _C18    52     1.34978   118.16478  -171.45022
   75    74 S   HC   _H24    53     1.09143   118.03987     1.03382
   76    73 S   CT   _C28    81     1.50592   117.67269     7.06116
   77    76 S   HC   _H40    82     1.09569   110.47708    59.25828
   78    76 S   HC   _H41    83     1.09179   113.69264   179.25375
   79    76 S   HC   _H42    84     1.09575   110.54422   -61.12002
   80    74 S   CT   _C19    54     1.51875   128.30014   178.31321
   81    80 S   HC   _H6_    55     1.09464   109.72391    21.38051
   82    80 S   CT   _C20    56     1.53416   108.51695   138.18147
   83    82 S   HC   _H25    57     1.09603   111.49111    66.32854
   84    82 S   HC   _H26    58     1.09615   110.91724   -53.89898
   85    82 S   HC   _H27    59     1.09464   111.36286  -173.08783
   86    80 S   CT   _C21    60     1.54965   109.27581   -98.66211
   87    86 S   HC   _H7_    61     1.09819   108.64553   -49.65681
   88    86 S   CM   _C22    62     1.52364   114.67374  -173.53543
   89    86 S   OH   _O34    79     1.43219   108.36387    65.60643
   90    89 S   HO   _H39    80     0.97509   107.13719  -169.73716
   91    88 S   CM   _C23    63     1.34900   119.37769   117.90615
   92    91 S   HC   _H28    64     1.09063   117.56163     0.58249
   93    88 S   CT   _C27    75     1.50617   116.08028   -63.07040
   94    93 S   HC   _H36    76     1.09492   110.60675   -49.78081
   95    93 S   HC   _H37    77     1.09182   113.43512  -168.96583
   96    93 S   HC   _H38    78     1.09424   110.44021    70.06639
   97    91 S   CT   _C24    65     1.50940   128.29874  -179.19037
   98    97 S   HC   _H29    66     1.09367   111.28230     9.34815
   99    97 S   CT   _C25    67     1.52998   109.95439   127.70092
  100    99 S   HC   _H30    68     1.09600   111.65578    61.29448
  101    99 S   HC   _H31    69     1.09579   110.92594   -59.12911
  102    99 S   HC   _H32    70     1.09542   110.64954  -178.63542
  103    97 S   CT   _C26    71     1.52818   109.94660  -110.39588
  104   103 S   HC   _H33    72     1.09604   111.63513   -59.88302
  105   103 S   HC   _H34    73     1.09573   110.89397    60.48202
  106   103 S   HC   _H35    74     1.09534   110.71161   179.94065
  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   8   5   4   3
  14   6   2   1   1  10   4  10   8   4  11   4   4   2   1   1
   9   5   4  11   4   8   5  10   8   8   4   2   1   7   3   2
   1   4   3   2   9   3   1   1  10  15   5   4   2   1   1  12
   8   7   3   2   1  11   5  12   3   1  15   5   4   2   1   1
   9   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    52    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    50    51    54    40    43    45  
   41    42    49    40  
   43    44    52    53    56    45    46    47    48    41  
   42    49    50    51    54    55    58    60  
   49    50    51    54  
   44    52    53    56    57    62    66    45    46    47    48  
   52    53    56    45  
   46    47    48    52  
   47    48  
   48  
    0  
   50    51    54    55    58    59    69    60    61  
   51    54    55    58    60  
   54    55    58    60  
   53    56    57    62    63    64    65    66    67    68    71  
   56    57    62    66  
   55    58    59    69    70    73    60    61  
   58    59    69    60    61  
   57    62    63    64    65    66    67    68    71    72  
   62    63    64    65    66    67    68    71  
   59    69    70    73    74    76    60    61  
   69    70    73    60  
   61    69  
    0  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66  
   66  
   67    68    71    72  
   68    71    72  
   71    72  
   70    73    74    75    80    76    77    78    79  
   73    74    76  
   72  
    0  
   74    75    80    81    82    86    76    77    78    79  
   75    80    81    82    83    84    85    86    87    88    89    76    77    78    79  
   80    81    82    86    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88    91    93    89    90  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    91    92    97    93    94    95    96    89    90  
   88    91    93    89    90  
   91    92    97    98    99   103    93    94    95    96    89    90  
   90    91    93  
    0  
   92    97    98    99   100   101   102   103   104   105   106    93    94    95    96  
   97    98    99   103    93  
   94    95    96    97  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103   104   105   106  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103  
  104   105   106  
  105   106  
  106  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   317.000  1.510
   54    60   320.000  1.410
   58    59   340.000  1.080
   58    69   549.000  1.340
   69    70   340.000  1.080
   69    73   380.000  1.444
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   317.000  1.510
   86    89   320.000  1.410
   88    91   549.000  1.340
   88    93   317.000  1.510
   91    92   340.000  1.080
   91    97   317.000  1.510
   97    98   340.000  1.090
   97    99   268.000  1.529
   97   103   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   89    90   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   60    61   553.000  0.945
   40    43   465.000  1.376
   40    45   317.000  1.510
   43    44   745.000  1.250
   43    52   415.000  1.382
   52    53   434.000  1.010
   52    56   382.000  1.448
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    49    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    54    70.00000  112.02700
   49    41    42    35.00000  117.00000
   49    54    55    37.50000  110.70000
   49    54    58    70.00000  112.02700
   49    54    60    50.00000  109.50000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    59    35.00000  117.00000
   54    58    69    70.00000  124.00000
   54    60    61    55.00000  108.50000
   58    54    55    35.00000  109.50000
   58    69    70    35.00000  120.00000
   58    69    73    70.00000  123.01800
   69    58    59    35.00000  120.00000
   69    73    74    70.00000  123.01800
   69    73    76    70.00000  124.00000
   73    69    70    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    82    70.00000  112.02700
   74    80    86    70.00000  112.02700
   80    74    75    35.00000  117.00000
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    70.00000  112.02700
   80    86    89    50.00000  109.50000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   86    88    91    70.00000  124.00000
   86    88    93    65.00000  117.92700
   86    89    90    55.00000  108.50000
   88    86    87    35.00000  109.50000
   88    91    92    35.00000  120.00000
   88    91    97    70.00000  124.00000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   91    97    98    35.00000  109.50000
   91    97    99    70.00000  112.02700
   91    97   103    70.00000  112.02700
   97    91    92    35.00000  117.00000
   97    99   100    37.50000  110.70000
   97    99   101    37.50000  110.70000
   97    99   102    37.50000  110.70000
   97   103   104    37.50000  110.70000
   97   103   105    37.50000  110.70000
   97   103   106    37.50000  110.70000
   99    97    98    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    97    98    37.50000  110.70000
  103    97    99    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   93    88    91    70.00000  124.00000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    90.00000  110.39200
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    58    90.00000  110.39200
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    52    75.00000  114.40000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    52    53    50.00000  121.48000
   43    52    56    50.00000  121.00000
   52    43    44   105.00000  113.92000
   52    56    57    35.00000  109.50000
   52    56    62    80.00000  111.61500
   52    56    66    80.00000  111.61500
   56    52    53    35.00000  112.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    71    50.00000  109.50000
   62    56    57    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    62    58.35000  112.70000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    52   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    50   0.00000  1.0 1.0
   38    41    49    51   0.00000  1.0 1.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    54    55   0.15000  1.0 3.0
   41    49    54    58   0.31000  1.0 1.0
   41    49    54    58   0.14700 -1.0 2.0
   41    49    54    58   0.07550  1.0 3.0
   41    49    54    60   1.05650  1.0 1.0
   41    49    54    60   0.15600 -1.0 2.0
   41    49    54    60   0.53150  1.0 3.0
   42    41    49    50   0.33100  1.0 3.0
   42    41    49    51   0.33100  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   49    54    58    59   0.00000  1.0 1.0
   49    54    58    69   0.09850  1.0 1.0
   49    54    58    69   0.15250 -1.0 2.0
   49    54    58    69  -0.50650  1.0 3.0
   49    54    60    61  -0.11600  1.0 1.0
   49    54    60    61  -0.09450 -1.0 2.0
   49    54    60    61   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    60   0.23400  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.15000  1.0 3.0
   51    49    54    60   0.23400  1.0 3.0
   54    58    69    70   7.00000 -1.0 2.0
   54    58    69    73   7.00000 -1.0 2.0
   55    54    58    59   0.33100  1.0 3.0
   55    54    58    69   0.00000  1.0 1.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61  -0.07800  1.0 1.0
   58    54    60    61  -0.21500 -1.0 2.0
   58    54    60    61  -0.03150  1.0 3.0
   58    69    73    74   0.28850  1.0 1.0
   58    69    73    74   2.61350 -1.0 2.0
   58    69    73    74   0.78400  1.0 3.0
   58    69    73    76  -0.18600  1.0 3.0
   59    58    69    70   7.00000 -1.0 2.0
   59    58    69    73   7.00000 -1.0 2.0
   69    73    74    75   7.00000 -1.0 2.0
   69    73    74    80   7.00000 -1.0 2.0
   69    73    76    77   0.00000  1.0 1.0
   69    73    76    78   0.00000  1.0 1.0
   69    73    76    79   0.00000  1.0 1.0
   70    69    73    74  -0.18600  1.0 3.0
   70    69    73    76   0.00000  1.0 1.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    82   0.09850  1.0 1.0
   73    74    80    82   0.15250 -1.0 2.0
   73    74    80    82  -0.50650  1.0 3.0
   73    74    80    86   0.09850  1.0 1.0
   73    74    80    86   0.15250 -1.0 2.0
   73    74    80    86  -0.50650  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   74    80    82    83   0.15000  1.0 3.0
   74    80    82    84   0.15000  1.0 3.0
   74    80    82    85   0.15000  1.0 3.0
   74    80    86    87   0.15000  1.0 3.0
   74    80    86    88   0.31000  1.0 1.0
   74    80    86    88   0.14700 -1.0 2.0
   74    80    86    88   0.07550  1.0 3.0
   74    80    86    89   1.05650  1.0 1.0
   74    80    86    89   0.15600 -1.0 2.0
   74    80    86    89   0.53150  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    80    86   0.00000  1.0 1.0
   80    86    88    91   0.09850  1.0 1.0
   80    86    88    91   0.15250 -1.0 2.0
   80    86    88    91  -0.50650  1.0 3.0
   80    86    88    93   0.46850  1.0 1.0
   80    86    88    93   0.08550 -1.0 2.0
   80    86    88    93   0.09800  1.0 3.0
   80    86    89    90  -0.11600  1.0 1.0
   80    86    89    90  -0.09450 -1.0 2.0
   80    86    89    90   0.21250  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.23400  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.34400  1.0 1.0
   82    80    86    88   0.09450 -1.0 2.0
   82    80    86    88   0.11100  1.0 3.0
   82    80    86    89   0.86500  1.0 1.0
   82    80    86    89  -0.17500 -1.0 2.0
   82    80    86    89   0.20800  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   86    88    91    92   7.00000 -1.0 2.0
   86    88    91    97   7.00000 -1.0 2.0
   86    88    93    94   0.34800  1.0 3.0
   86    88    93    95   0.34800  1.0 3.0
   86    88    93    96   0.34800  1.0 3.0
   87    86    88    91   0.00000  1.0 1.0
   87    86    88    93   0.34800  1.0 3.0
   87    86    89    90   0.19450  1.0 3.0
   88    86    89    90  -0.07800  1.0 1.0
   88    86    89    90  -0.21500 -1.0 2.0
   88    86    89    90  -0.03150  1.0 3.0
   88    91    97    98   0.00000  1.0 1.0
   88    91    97    99   0.09850  1.0 1.0
   88    91    97    99   0.15250 -1.0 2.0
   88    91    97    99  -0.50650  1.0 3.0
   88    91    97   103   0.09850  1.0 1.0
   88    91    97   103   0.15250 -1.0 2.0
   88    91    97   103  -0.50650  1.0 3.0
   91    88    93    94   0.00000  1.0 1.0
   91    88    93    95   0.00000  1.0 1.0
   91    88    93    96   0.00000  1.0 1.0
   91    97    99   100   0.15000  1.0 3.0
   91    97    99   101   0.15000  1.0 3.0
   91    97    99   102   0.15000  1.0 3.0
   91    97   103   104   0.15000  1.0 3.0
   91    97   103   105   0.15000  1.0 3.0
   91    97   103   106   0.15000  1.0 3.0
   92    91    97    98   0.33100  1.0 3.0
   92    91    97    99   0.00000  1.0 1.0
   92    91    97   103   0.00000  1.0 1.0
   98    97    99   100   0.15000  1.0 3.0
   98    97    99   101   0.15000  1.0 3.0
   98    97    99   102   0.15000  1.0 3.0
   98    97   103   104   0.15000  1.0 3.0
   98    97   103   105   0.15000  1.0 3.0
   98    97   103   106   0.15000  1.0 3.0
   99    97   103   104   0.15000  1.0 3.0
   99    97   103   105   0.15000  1.0 3.0
   99    97   103   106   0.15000  1.0 3.0
  103    97    99   100   0.15000  1.0 3.0
  103    97    99   101   0.15000  1.0 3.0
  103    97    99   102   0.15000  1.0 3.0
   93    88    91    92   7.00000 -1.0 2.0
   93    88    91    97   7.00000 -1.0 2.0
   89    86    88    91   0.67800  1.0 1.0
   89    86    88    91   0.47050 -1.0 2.0
   89    86    88    91  -0.62500  1.0 3.0
   89    86    88    93   0.18000  1.0 1.0
   89    86    88    93   0.16450 -1.0 2.0
   89    86    88    93   0.04450  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   60    54    58    59   0.00000  1.0 1.0
   60    54    58    69   0.67800  1.0 1.0
   60    54    58    69   0.47050 -1.0 2.0
   60    54    58    69  -0.62500  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    52    53   1.00000 -1.0 2.0
   40    43    52    56  -0.54700  1.0 1.0
   40    43    52    56   1.23000 -1.0 2.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    52    56    57   0.00000  1.0 1.0
   43    52    56    62   0.25450  1.0 1.0
   43    52    56    62  -0.61700 -1.0 2.0
   43    52    56    62  -0.23550  1.0 3.0
   43    52    56    66   0.25450  1.0 1.0
   43    52    56    66  -0.61700 -1.0 2.0
   43    52    56    66  -0.23550  1.0 3.0
   44    43    52    53   1.00000 -1.0 2.0
   44    43    52    56   1.00000 -1.0 2.0
   52    56    62    63   0.22950  1.0 3.0
   52    56    62    64   0.22950  1.0 3.0
   52    56    62    65   0.22950  1.0 3.0
   52    56    66    67   0.22950  1.0 3.0
   52    56    66    68   0.22950  1.0 3.0
   52    56    66    71   4.07950  1.0 1.0
   52    56    66    71  -0.26450 -1.0 2.0
   52    56    66    71  -0.12150  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   53    52    56    66   0.00000  1.0 1.0
   56    66    71    72  -0.11600  1.0 1.0
   56    66    71    72  -0.09450 -1.0 2.0
   56    66    71    72   0.21250  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    71   0.23400  1.0 3.0
   62    56    66    67   0.15000  1.0 3.0
   62    56    66    68   0.15000  1.0 3.0
   62    56    66    71   0.86500  1.0 1.0
   62    56    66    71  -0.17500 -1.0 2.0
   62    56    66    71   0.20800  1.0 3.0
   66    56    62    63   0.15000  1.0 3.0
   66    56    62    64   0.15000  1.0 3.0
   66    56    62    65   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    52   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   49    42    41    38  15.00000 -1.0 2.0
   54    59    58    69  15.00000 -1.0 2.0
   73    70    69    58  15.00000 -1.0 2.0
   69    76    73    74  15.00000 -1.0 2.0
   80    75    74    73  15.00000 -1.0 2.0
   86    93    88    91  15.00000 -1.0 2.0
   97    92    91    88  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   52    44    43    40  15.00000 -1.0 2.0
   53    43    52    56   1.00000 -1.0 2.0
END
