* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    205    322     591
    1     0 S   NP   _N1_     1    28.94091    91.69461   -22.22110
    2     1 S   H    _HN1     2     1.02813    19.55247  -133.90726
    3     1 S   H    _H1_     3     1.03037   111.23879   -50.50311
    4     1 S   H    _H2_     4     1.02927    87.97564    58.37197
    5     1 S   CT   _CA1     5     1.50116   123.39813   171.80003
    6     5 S   HC   _HA1     6     1.09526   105.07603    76.63697
    7     5 S   CO3  _C1_     7     1.53647   113.06666   -43.77405
    8     7 S   O2Z  _O11     8     1.26356   115.04963   -37.69200
    9     7 S   O2Z  _O12     9     1.26250   114.90769   141.70790
   10     5 S   CT   _CB1    10     1.52971   107.44395  -165.11823
   11    10 S   HC   HB11    11     1.09499   109.18005   -44.78306
   12    10 S   HC   HB12    12     1.09820   110.69626    71.30189
   13    10 S   CT   _CG1    13     1.53070   112.75448  -166.41300
   14    13 S   HC   HG11    14     1.09576   110.24533   -72.61201
   15    13 S   HC   HG12    15     1.09664   110.25506    46.71939
   16    13 S   C    _CD1    16     1.51746   111.97831   165.98589
   17    16 S   O    _OE1    17     1.22773   122.94494   -10.44766
   18    16 S   N    _N2_    18     1.38584   112.19458   171.01633
   19    18 S   H    _HN2    19     1.01604   119.11636    -2.62152
   20    18 S   CT1  _CA2    20     1.46167   122.99364   176.78612
   21    20 S   HC   _HA2    21     1.09787   108.84850   -22.60204
   22    20 S   C    _C2_    22     1.53418   107.87273  -137.77131
   23    22 S   O    _O2_    23     1.22985   122.52952  -142.42249
   24    20 S   CT   _CB2    32     1.53781   113.00698    99.56336
   25    24 S   HC   HB21    33     1.09398   110.24774    58.07550
   26    24 S   HC   HB22    34     1.09193   107.90296   176.03039
   27    22 S   N    _N3_    24     1.38540   113.17338    44.63969
   28    27 S   H    _HN3    25     1.01489   118.93633    -0.56371
   29    24 S   S    _SG2    35     1.83011   111.62752   -63.45899
   30    27 S   CT   _CA3    26     1.45412   122.94490   176.05494
   31    30 S   HC   HA31    27     1.09561   108.53047    35.85871
   32    30 S   HC   HA32    28     1.09484   107.21803   152.69434
   33    29 S   CT   _C24    36     1.87159   103.78075  -162.65724
   34    30 S   CO3  _C3_    29     1.52980   113.88313   -87.16889
   35    34 S   O2Z  _O31    30     1.26342   115.73974   -37.62191
   36    34 S   O2Z  _O32    31     1.26398   114.76419   143.42977
   37    33 S   CM   _C23    37     1.53108   110.21363    48.46372
   38    33 S   CM   _C28   109     1.52528   106.14080   175.16426
   39    38 S   HC   _H24   110     1.09025   116.74763    35.06788
   40    37 S   N    _N7_    38     1.37680   107.52637  -106.88651
   41    40 S   H    _H20    39     1.01395   122.60691   172.87151
   42    37 S   CM   _C22    48     1.34655   132.95462    71.82545
   43    42 S   HC   _H19    49     1.08822   118.89607   177.63437
   44    38 S   CM   _C29   111     1.34049   127.37233  -148.13194
   45    44 S   HC   _H25   112     1.08554   120.15065  -179.16866
   46    44 S   HC   _H26   113     1.08345   122.49614     0.44102
   47    40 S   C    _C26    40     1.38296   114.73602    -3.78113
   48    47 S   O    _O34    41     1.22062   126.89989   173.89574
   49    42 S   C5A  _C21    50     1.41561   125.30561     0.27906
   50    33 S   CT   _C25    42     1.56192   114.27307   -66.35015
   51    50 S   HC   _H3_    43     1.10186   108.94693  -150.41397
   52    49 S   C5BC _C20    51     1.38565   133.08535   123.67110
   53    50 S   CT   _C27    44     1.52146   118.93991   -28.24928
   54    53 S   HC   _H21    45     1.09310   112.62334    70.21684
   55    53 S   HC   _H22    46     1.09443   111.23377   -52.46928
   56    53 S   HC   _H23    47     1.09622   110.02016  -171.48821
   57    52 S   C5BC _C19    52     1.43915   107.19821   179.80021
   58    52 S   CT   _C30   105     1.48856   126.34042    -2.12578
   59    58 S   HC   _H27   106     1.09443   110.21376   -96.03932
   60    58 S   HC   _H28   107     1.09459   111.46993    24.04356
   61    58 S   HC   _H29   108     1.09428   111.04595   143.70823
   62    57 S   C5A  _C18    53     1.38822   107.00451    -3.61877
   63    57 S   CT   _C31    96     1.50079   126.14209   176.74659
   64    63 S   HC   _H30    97     1.09713   108.67273    45.58709
   65    63 S   HC   _H31    98     1.09536   110.39114   160.86365
   66    49 S   NA   _N6_    54     1.36872   119.35592   -60.93166
   67    66 S   H    _H18    55     1.01091   124.93653     1.91673
   68    62 S   CT   _C17    56     1.49624   131.94398  -178.86116
   69    68 S   HC   _H16    57     1.09520   110.68600    -3.11835
   70    68 S   HC   _H17    58     1.09798   108.61302  -118.91632
   71    63 S   CT   _C32    99     1.52649   113.00137   -75.35570
   72    71 S   HC   _H32   100     1.09698   109.13006   173.65548
   73    71 S   HC   _H33   101     1.09636   110.67679    56.55610
   74    68 S   C5A  _C7_    59     1.49885   112.88750   118.56844
   75    71 S   CO3  _C33   102     1.53023   113.11359   -67.07676
   76    75 S   O2Z  _O36   103     1.26297   115.55970   -55.89488
   77    75 S   O2Z  _O35   104     1.26387   114.87853   125.38349
   78    74 S   C5BC _C6_    60     1.38825   131.55194   -68.57556
   79    78 S   C5BC _C5_    61     1.43736   107.09946  -179.47214
   80    78 S   CT   _C34    87     1.49955   126.53964     0.79204
   81    80 S   HC   _H34    88     1.09718   109.22416  -139.50510
   82    80 S   HC   _H35    89     1.09624   109.55957   -24.34239
   83    79 S   C5A  _C8_    62     1.38613   107.25651     0.99485
   84    79 S   CT   _C4_    83     1.48893   126.22560  -178.99264
   85    84 S   HC   _H4_    84     1.09450   110.16661    75.59346
   86    84 S   HC   _H5_    85     1.09455   111.67931  -164.28944
   87    84 S   HC   _H6_    86     1.09441   110.86185   -44.52996
   88    80 S   CT   _C35    90     1.52587   112.50513    98.35148
   89    88 S   HC   _H36    91     1.09715   109.83423    63.77743
   90    88 S   HC   _H37    92     1.09664   110.03867   -53.29178
   91    74 S   NA   _N4_    63     1.37303   120.95957   111.51670
   92    91 S   H    _H7_    64     1.01241   124.54356    -2.32153
   93    83 S   CM   _C9_    65     1.41925   132.61264  -177.81537
   94    93 S   HC   _H8_    66     1.08706   115.85791    44.70844
   95    88 S   CO3  _C36    93     1.53067   114.79893  -174.98171
   96    95 S   O2Z  _O38    94     1.26535   114.11227   172.81176
   97    95 S   O2Z  _O37    95     1.26149   116.67977    -7.61275
   98    93 S   CM   _C10    67     1.34167   124.66173  -131.84821
   99    98 S   CM   _C11    68     1.45534   127.70104   179.18843
  100    99 S   CM   _C12    69     1.34845   110.45981  -178.29866
  101    99 S   CT   _C16    79     1.49336   121.66243     3.00654
  102   101 S   HC   _H13    80     1.09487   110.61703   -65.43878
  103   101 S   HC   _H14    81     1.09310   112.68067   173.93198
  104   101 S   HC   _H15    82     1.09365   110.51822    54.87044
  105   100 S   C    _C13    70     1.49257   106.20100    -1.74080
  106   105 S   O    _O33    71     1.21942   125.70591  -177.40037
  107   100 S   CM   _C14    74     1.43673   131.69907  -178.61662
  108   107 S   HC   _H10    75     1.08680   116.27721   134.82359
  109    98 S   N    _N5_    72     1.36704   126.68384     0.18345
  110   109 S   H    _H9_    73     1.01221   124.31471    -0.35388
  111   107 S   CM   _C15    76     1.33785   125.10631   -48.15675
  112   111 S   HC   _H11    77     1.08512   120.26093  -178.56496
  113   111 S   HC   _H12    78     1.08488   122.23637     0.70221
  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  18   6   2   1   1  12  10   5
   4   5   1   9   4   3   5   4   3  11   2   1   1  16  14  11
   5   4  11   5   2   1   1   5   4   3   4   1   8   3   2   1
   1  11  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    71    58    59    60    61  
   54    55    56  
   55    56  
   56  
    0  
   62    66    67    68    69    70    74    63    64    65    71    72    73    75    58    59    60    61  
   59    60    61    62    63    66  
   60    61  
   61  
    0  
   66    67    68    69    70    74    78    91    63    64    65    71  
   64    65    71    72    73    75    76    77    66    68  
   65    71    72    73    75  
   71    72    73    75  
   67    68    69    70    74  
   68  
   69    70    74    78    79    83    91    92    80  
   70    74    78    91  
   74    78    91  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    83    91    92    93    84    80    81    82    88  
   76    77  
   77  
    0  
   79    83    91    92    93    84    85    86    87    80    81    82    88    89    90    95  
   83    91    92    93    94    98    84    85    86    87    80    81    82    88  
   81    82    88    89    90    95    96    97    83    84    91  
   82    88    89    90    95  
   88    89    90    95  
   91    92    93    94    98    99   109    84    85    86    87  
   85    86    87    91    93  
   86    87  
   87  
    0  
   89    90    95    96    97  
   90    95    96    97  
   95    96    97  
   92    93    94    98  
   93  
   94    98    99   100   105   109   110   101  
   98    99   109  
   96    97  
   97  
    0  
   99   100   105   106   109   110   107   101   102   103   104  
  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  -0.163000   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   92   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.351300   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   295.000  1.489
   66    67   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   295.000  1.489
   74    78   546.000  1.367
   74    91   427.000  1.381
   78    79   469.000  1.424
   78    80   285.000  1.502
   79    83   546.000  1.367
   79    84   285.000  1.502
   83    91   427.000  1.381
   83    93   375.000  1.423
   91    92   434.000  1.010
   93    94   340.000  1.080
   93    98   549.000  1.340
   98    99   380.000  1.444
   98   109   400.000  1.384
   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
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   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  133.50000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    71    70.00000  112.17500
   62    66    67    35.00000  120.00000
   62    68    69    45.00000  110.47400
   62    68    70    45.00000  110.47400
   62    68    74    70.00000  112.04700
   66    49    52    70.00000  107.70000
   68    62    66    65.00000  122.56900
   68    74    78    50.00000  133.50000
   68    74    91    65.00000  122.56900
   70    68    69    33.00000  107.80000
   74    68    69    45.00000  110.47400
   74    68    70    45.00000  110.47400
   74    78    79    70.00000  107.30000
   74    78    80    60.00000  130.00000
   74    91    83    70.00000  109.80000
   74    91    92    35.00000  120.00000
   78    79    83    70.00000  107.30000
   78    79    84    60.00000  130.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    88    70.00000  112.17500
   79    83    91    70.00000  107.70000
   79    83    93    50.00000  133.16000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   83    91    92    35.00000  120.00000
   83    93    94    40.00000  117.26300
   83    93    98    55.00000  128.24000
   91    74    78    70.00000  107.70000
   93    83    91    70.00000  120.38000
   93    98    99    70.00000  123.01800
   93    98   109    75.00000  120.83300
   98    93    94    35.00000  120.00000
   98    99   100    70.00000  123.01800
   98    99   101    70.00000  124.00000
   98   109   105    70.00000  120.89900
   98   109   110    45.00000  117.55000
   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    98    99    75.00000  120.83300
  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
   84    79    83    60.00000  130.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    78    79    60.00000  130.00000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    95    70.00000  109.69300
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    95    96    70.00000  117.00000
   88    95    97    70.00000  117.00000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   97    95    96    80.00000  126.00000
   63    57    62    60.00000  130.00000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    75    70.00000  109.69300
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    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    71   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   0.00000  1.0 1.0
   57    62    68    70   0.00000  1.0 1.0
   57    62    68    74   0.04300 -1.0 2.0
   57    63    71    72   0.43200  1.0 3.0
   57    63    71    73   0.43200  1.0 3.0
   57    63    71    75  -2.95950  1.0 1.0
   57    63    71    75   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    71   0.04150 -1.0 2.0
   62    68    74    78   0.04300 -1.0 2.0
   62    68    74    91   0.04300 -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   0.00000  1.0 1.0
   66    62    68    70   0.00000  1.0 1.0
   66    62    68    74   0.04300 -1.0 2.0
   68    62    66    49   3.62500 -1.0 2.0
   68    62    66    67   2.00000 -1.0 2.0
   68    74    78    79   3.62500 -1.0 2.0
   68    74    78    80   3.62500 -1.0 2.0
   68    74    91    83   3.62500 -1.0 2.0
   68    74    91    92   2.00000 -1.0 2.0
   69    68    74    78   0.00000  1.0 1.0
   69    68    74    91   0.00000  1.0 1.0
   70    68    74    78   0.00000  1.0 1.0
   70    68    74    91   0.00000  1.0 1.0
   74    78   -79    83   3.62500 -1.0 2.0
   74    78    79    84   3.62500 -1.0 2.0
   74    78    80    81   0.00000  1.0 1.0
   74    78    80    82   0.00000  1.0 1.0
   74    78    80    88   0.04150 -1.0 2.0
   78    74   -91    83   3.62500 -1.0 2.0
   78    74    91    92   2.00000 -1.0 2.0
   78    79   -83    91   3.62500 -1.0 2.0
   78    79    83    93   3.62500 -1.0 2.0
   78    79    84    85   0.00000  1.0 1.0
   78    79    84    86   0.00000  1.0 1.0
   78    79    84    87   0.00000  1.0 1.0
   78    80    88    89   0.43200  1.0 3.0
   78    80    88    90   0.43200  1.0 3.0
   78    80    88    95  -2.95950  1.0 1.0
   78    80    88    95   0.02300  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    88   0.04150 -1.0 2.0
   79    83   -91    74   3.62500 -1.0 2.0
   79    83    91    92   2.00000 -1.0 2.0
   79    83    93    94   0.56550  1.0 3.0
   79    83    93    98   0.15800  1.0 1.0
   79    83    93    98   1.85350 -1.0 2.0
   79    83    93    98  -0.48700  1.0 3.0
   83    79    84    85   0.00000  1.0 1.0
   83    79    84    86   0.00000  1.0 1.0
   83    79    84    87   0.00000  1.0 1.0
   83    93    98    99   7.00000 -1.0 2.0
   83    93    98   109   7.00000 -1.0 2.0
   91    74   -78    79   3.62500 -1.0 2.0
   91    74    78    80   3.62500 -1.0 2.0
   91    83    93    94   0.54250  1.0 3.0
   91    83    93    98   0.11450  1.0 1.0
   91    83    93    98   1.85100 -1.0 2.0
   91    83    93    98  -0.49050  1.0 3.0
   93    83    91    74   3.62500 -1.0 2.0
   93    83    91    92   2.00000 -1.0 2.0
   93    98    99   100   0.28850  1.0 1.0
   93    98    99   100   2.61350 -1.0 2.0
   93    98    99   100   0.78400  1.0 3.0
   93    98    99   101  -0.18600  1.0 3.0
   93    98   109   105  -0.18900  1.0 1.0
   93    98   109   105   1.70900 -1.0 2.0
   93    98   109   110   0.78350 -1.0 2.0
   94    93    98    99   7.00000 -1.0 2.0
   94    93    98   109   7.00000 -1.0 2.0
   98    99  -100   105   7.00000 -1.0 2.0
   98    99   100   107   7.00000 -1.0 2.0
   98    99   101   102   0.00000  1.0 1.0
   98    99   101   103   0.00000  1.0 1.0
   98    99   101   104   0.00000  1.0 1.0
   99    98  -109   105  -0.18900  1.0 1.0
   99    98  -109   105   1.70900 -1.0 2.0
   99    98   109   110   0.78350 -1.0 2.0
   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    98   2.45000 -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    98   2.67200 -1.0 2.0
  106   105   109   110   2.45000 -1.0 2.0
  109    98   -99   100  -0.18600  1.0 3.0
  109    98    99   101   1.08500 -1.0 2.0
  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
   84    79    83    91   3.62500 -1.0 2.0
   84    79    83    93   3.62500 -1.0 2.0
   80    78    79    83   3.62500 -1.0 2.0
   80    78    79    84   3.62500 -1.0 2.0
   80    88    95    96   0.41150 -1.0 2.0
   80    88    95    97   0.41150 -1.0 2.0
   81    80    88    89   0.15000  1.0 3.0
   81    80    88    90   0.15000  1.0 3.0
   81    80    88    95  -0.11250  1.0 3.0
   82    80    88    89   0.15000  1.0 3.0
   82    80    88    90   0.15000  1.0 3.0
   82    80    88    95  -0.11250  1.0 3.0
   89    88    95    96   0.00000  1.0 1.0
   89    88    95    97   0.00000  1.0 1.0
   90    88    95    96   0.00000  1.0 1.0
   90    88    95    97   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    71    75    76   0.41150 -1.0 2.0
   63    71    75    77   0.41150 -1.0 2.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    75  -0.11250  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   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
   78    91    74    68   4.00000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   83    84    79    78   4.00000 -1.0 2.0
   93    91    83    79   4.00000 -1.0 2.0
   92    74    91    83   1.00000 -1.0 2.0
   83    94    93    98   1.10000 -1.0 2.0
   99   109    98    93   1.10000 -1.0 2.0
   98   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    98   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
   96    88    95    97  10.50000 -1.0 2.0
   76    71    75    77  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
