* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    202    303     594
    1     0 S   NP   _N1_     1    29.83473   100.81137   -20.62291
    2     1 S   H    _HN1     2     1.03437   146.02916  -174.09094
    3     1 S   H    _H1_     3     1.02842    66.45067   -86.00142
    4     1 S   H    _H2_     4     1.02781    49.53438   130.97976
    5     1 S   CT   _CA1     5     1.49927   100.64205    22.49864
    6     5 S   HC   _HA1     6     1.09578   105.09551   112.10439
    7     5 S   CO3  _C1_     7     1.53751   112.80283    -8.14481
    8     7 S   O2Z  _O11     8     1.26376   115.09802   -41.19962
    9     7 S   O2Z  _O12     9     1.26275   114.93840   138.06586
   10     5 S   CT   _CB1    10     1.53082   107.61936  -129.72535
   11    10 S   HC   HB11    11     1.09711   109.78913   -47.23075
   12    10 S   HC   HB12    12     1.09826   110.52180    69.07117
   13    10 S   CT   _CG1    13     1.52957   112.43482  -168.82890
   14    13 S   HC   HG11    14     1.09551   111.18618   -71.53848
   15    13 S   HC   HG12    15     1.09541   110.46491    47.36934
   16    13 S   C    _CD1    16     1.51403   109.94579   169.02386
   17    16 S   O    _OE1    17     1.22899   121.71638    74.99134
   18    16 S   N    _N2_    18     1.38341   113.15816  -103.20328
   19    18 S   H    _HN2    19     1.01580   119.47864     0.94253
   20    18 S   CT1  _CA2    20     1.46097   122.84600   177.60690
   21    20 S   HC   _HA2    21     1.09612   110.17004    22.44550
   22    20 S   C    _C2_    22     1.52498   103.78321   -95.33328
   23    22 S   O    _O2_    23     1.22997   122.09659   -88.34059
   24    20 S   CT   _CB2    32     1.53284   111.85505   146.39837
   25    24 S   HC   HB21    33     1.09364   109.77540    61.06684
   26    24 S   HC   HB22    34     1.09496   109.64885   179.24515
   27    22 S   N    _N3_    24     1.38431   113.65530    86.80190
   28    27 S   H    _HN3    25     1.01582   119.43038     1.99802
   29    24 S   S    _SG2    35     1.82330   111.40937   -60.00147
   30    27 S   CT   _CA3    26     1.45451   122.01603  -170.19665
   31    30 S   HC   HA31    27     1.09604   107.49159    60.45831
   32    30 S   HC   HA32    28     1.09500   107.47685   176.45613
   33    29 S   CT   _C13    36     1.86357   100.65671   162.85716
   34    33 S   OM   _O36    37     1.32211   108.84632  -170.64098
   35    30 S   CO3  _C3_    29     1.52865   114.11086   -62.21810
   36    35 S   O2Z  _O31    30     1.26303   115.26654   -65.73010
   37    35 S   O2Z  _O32    31     1.26487   114.89727   114.61806
   38    33 S   CT   _C14    38     1.59116   109.32108    70.43892
   39    38 S   HC   _H6_    39     1.09886   106.84202   -63.92919
   40    33 S   OS   _O33    52     1.45907   113.20696   -44.77236
   41    38 S   CT   _C15    40     1.55258   116.45984    56.58290
   42    41 S   HC   _H15    41     1.09505   109.96611   -51.70556
   43    41 S   HC   _H16    42     1.09767   110.20053    65.32707
   44    38 S   NT   _N8_    49     1.48254   111.15866  -177.55928
   45    44 S   H    _H19    50     1.01779   109.61446   160.30542
   46    44 S   H    _H20    51     1.01858   108.66441    43.82507
   47    40 S   CA   _C11    53     1.38638   122.13530   -65.22321
   48    41 S   CT   _C16    43     1.53256   113.35787  -172.28093
   49    48 S   HC   _H17    44     1.09719   109.25571    51.49887
   50    48 S   HC   _H18    45     1.09624   110.13300   -66.39586
   51    47 S   CA   _C10    54     1.38498   116.00240  -166.61986
   52    48 S   CO3  _C17    46     1.53278   115.47509   172.73137
   53    52 S   O2Z  _O35    47     1.26580   113.99031  -172.74886
   54    52 S   O2Z  _O34    48     1.26112   116.81715     7.50318
   55    51 S   CA   _C9_    55     1.38409   114.82563  -179.18555
   56    55 S   NB   _N6_    56     1.35085   123.49507     1.84324
   57    55 S   NI   _N4_    62     1.40417   121.50261  -176.91377
   58    56 S   CQ   _C12    57     1.34707   117.19870    -0.61102
   59    57 S   CD   _C8_    63     1.29680   117.84994    -4.20118
   60    59 S   HC   _H12    64     1.10267   117.41879   178.11841
   61    47 S   NB   _N5_    58     1.34921   120.53109    16.28077
   62    58 S   NE   _N7_    59     1.38133   118.25195   179.19254
   63    62 S   H    _H13    60     1.00936   119.72216     0.43521
   64    62 S   H    _H14    61     1.00982   119.35109   179.18076
   65    59 S   CT   _C7_    65     1.51756   126.01214    -2.54422
   66    65 S   HC   _H5_    66     1.09528   106.94442   126.71329
   67    51 S   NE   _N9_    67     1.37650   123.73784     0.88867
   68    67 S   H    _H21    68     1.01340   119.08685     0.89460
   69    65 S   CT   _C6_    69     1.54888   111.49322  -113.30525
   70    69 S   HC   _H4_    70     1.09860   107.30823   173.08219
   71    69 S   CT   _C5_    71     1.54433   113.35178   -67.28036
   72    71 S   HC   _H3_    72     1.09690   109.41231    64.03138
   73    69 S   OS   _O37    95     1.44797   108.43465    53.19017
   74    71 S   CT   _C4_    73     1.52892   111.80890  -176.01493
   75    74 S   HC   _H9_    74     1.09552   110.81790    58.41094
   76    74 S   HC   _H10    75     1.09510   110.77448   176.45829
   77    74 S   HC   _H11    76     1.09365   111.71224   -63.09560
   78    71 S   OS   _O41    77     1.44300   108.37917   -56.64943
   79    73 S   CO4  _C18    96     1.36362   118.78515   126.05329
   80    79 S   O    _O38    97     1.22364   125.97869     2.25932
   81    78 S   CO4  _C23    78     1.36391   117.41249   151.96743
   82    81 S   O    _O42    79     1.22429   125.88661     2.16166
   83    79 S   CT1  _C19    98     1.51965   109.48558  -179.23587
   84    83 S   HC   _H7_    99     1.09378   108.11858   -60.59330
   85    81 S   CT1  _C24    80     1.51692   109.99030  -178.87430
   86    85 S   HC   _H8_    81     1.09546   108.13233   -63.79429
   87    83 S   CTJ  _C20   100     1.53467   110.17283    62.94408
   88    87 S   HC   _H22   101     1.09766   108.53135   -67.63181
   89    87 S   HC   _H23   102     1.09803   109.23018    46.77279
   90    83 S   NP   _N10   109     1.49155   109.87571  -175.11477
   91    90 S   H    _H26   110     1.02818   112.36597   170.75180
   92    90 S   H    _H27   111     1.02876   111.88380    50.46074
   93    90 S   H    _H28   112     1.03278   111.87212   -68.87833
   94    85 S   CTJ  _C25    82     1.53150   113.17120    58.81893
   95    94 S   HC   _H29    83     1.09804   108.95101  -177.03885
   96    94 S   HC   _H30    84     1.09764   109.00023   -61.92000
   97    85 S   NP   _N11    91     1.49515   110.28261  -178.28856
   98    97 S   H    _H33    92     1.02901   111.73644   -57.76156
   99    97 S   H    _H34    93     1.02854   111.73666  -178.63169
  100    97 S   H    _H35    94     1.02892   111.00327    61.34716
  101    87 S   CTI  _C21   103     1.52495   116.75681   169.63939
  102   101 S   HC   _H24   104     1.09764   107.29756  -177.82561
  103   101 S   HC   _H25   105     1.09595   110.23868   -62.58209
  104    94 S   CTI  _C26    85     1.52944   114.52879    60.40825
  105   104 S   HC   _H31    86     1.09648   109.93955   -55.34890
  106   104 S   HC   _H32    87     1.09601   110.19790    62.99920
  107   101 S   CO3  _C22   106     1.52891   117.97566    62.54730
  108   107 S   O2Z  _O40   107     1.25965   116.51272     4.02117
  109   107 S   O2Z  _O39   108     1.26549   113.96375  -176.18756
  110   104 S   CO3  _C27    88     1.53256   114.64465  -176.35396
  111   110 S   O2Z  _O44    89     1.26439   113.91975   173.44315
  112   110 S   O2Z  _O43    90     1.26075   116.50994    -6.83268
  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  13   8   8  11   6   5   3   1   1  10   5
   4   3  11   2   1   1  10   8   7   4   9   4   4   2   1   1
  11   6   5   1  13   6  11   7   8   5   3   2   1   6  11   4
  11   4  12   8  12   8  12   6   5   4   2   1   1  12   6   5
   4   2   1   1   5   4   3   5   4   3   2   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    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    44    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    44    45    46    40    47    51    61  
   38    39    41    44    40    47  
   36    37  
   37  
    0  
   39    41    42    43    48    49    50    52    44    45    46    40    47  
   41    42    43    48    44    45    46    40  
   47    51    55    58    61    67    41    44  
   42    43    48    49    50    52    53    54    44    45    46  
   43    48    49    50    52    44  
   48    49    50    52    44  
   45    46    48  
   46  
    0  
   51    55    56    58    61    62    57    65    67    68  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    58    61    57    59    65    66    67    68    69  
   53    54  
   54  
    0  
   56    58    61    62    57    59    60    65    67    68  
   58    61    62    63    64    57    59    67  
   59    60    65    66    67    69    58  
   61    62    63    64  
   60    65    66    67    68    69    70    71    73  
   65    66    67    69  
   62    63    64    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74    78    73    79  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69  
   70    71    72    74    75    76    77    78    81    73    79    80    83  
   71    72    74    78    73    79  
   72    74    75    76    77    78    81    82    85    73    79  
   74    75    76    77    78    81    73  
   79    80    83    84    87    90    74    78  
   75    76    77    78    81  
   76    77    78  
   77    78  
   78  
   81    82    85    86    94    97  
   80    83    84    87    88    89   101    90    91    92    93  
   83    84    87    90  
   82    85    86    94    95    96   104    97    98    99   100  
   85    86    94    97  
   84    87    88    89   101   102   103   107    90    91    92    93  
   87    88    89   101    90    91    92    93  
   86    94    95    96   104   105   106   110    97    98    99   100  
   94    95    96   104    97    98    99   100  
   88    89   101   102   103   107   108   109    90    91    92    93  
   89   101   102   103   107    90  
  101   102   103   107    90  
   91    92    93   101  
   92    93  
   93  
    0  
   95    96   104   105   106   110   111   112    97    98    99   100  
   96   104   105   106   110    97  
  104   105   106   110    97  
   98    99   100   104  
   99   100  
  100  
    0  
  102   103   107   108   109  
  103   107   108   109  
  107   108   109  
  105   106   110   111   112  
  106   110   111   112  
  110   111   112  
  108   109  
  109  
    0  
  111   112  
  112  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.764000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700   0.694800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2800   0.1700  -0.420500   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   91   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   98   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   99   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  100   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  110   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   44    45   434.000  1.010
   44    46   434.000  1.010
   40    47   450.000  1.364
   47    51   469.000  1.400
   47    61   483.000  1.339
   51    55   469.000  1.400
   51    67   481.000  1.340
   55    56   483.000  1.339
   55    57   400.000  1.385
   56    58   502.000  1.324
   58    61   502.000  1.324
   58    62   410.000  1.375
   62    63   434.000  1.010
   62    64   434.000  1.010
   57    59   500.000  1.261
   59    60   370.000  1.093
   59    65   270.000  1.508
   65    66   340.000  1.090
   65    67   382.000  1.448
   65    69   268.000  1.529
   67    68   434.000  1.010
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    78   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    85   255.000  1.522
   85    86   340.000  1.090
   85    94   268.000  1.529
   85    97   367.000  1.471
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   110   317.000  1.522
  110   111   656.000  1.250
  110   112   656.000  1.250
   97    98   434.000  1.010
   97    99   434.000  1.010
   97   100   434.000  1.010
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    83   255.000  1.522
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   107   317.000  1.522
  107   108   656.000  1.250
  107   109   656.000  1.250
   90    91   434.000  1.010
   90    92   434.000  1.010
   90    93   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    56.20000  109.47000
   33    40    47    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    70.00000  109.69300
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    52    53    70.00000  117.00000
   48    52    54    70.00000  117.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   54    52    53    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    41    56.20000  109.47000
   46    44    45    43.60000  106.40000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    47    51    70.00000  120.00000
   40    47    61    95.00000  115.10700
   47    51    55    63.00000  120.00000
   47    51    67    70.00000  120.10000
   47    61    58    70.00000  118.60000
   51    55    56    70.00000  124.00000
   51    55    57    70.00000  120.44500
   51    67    65    50.00000  120.00000
   51    67    68    35.00000  113.50000
   55    56    58    70.00000  118.60000
   55    57    59    70.00000  113.96500
   56    58    61    70.00000  129.10000
   56    58    62    85.00000  116.09700
   58    62    63    50.00000  113.31100
   58    62    64    50.00000  113.31100
   61    47    51    70.00000  124.00000
   62    58    61    85.00000  116.09700
   64    62    63    35.00000  109.00000
   57    55    56    75.00000  118.65000
   57    59    60    45.00000  120.55300
   57    59    65    65.00000  122.10100
   59    65    66    45.00000  109.49600
   59    65    67    80.00000  112.42400
   59    65    69    70.00000  111.76100
   65    59    60    40.00000  113.58700
   65    67    68    35.00000  112.50000
   65    69    70    37.50000  110.70000
   65    69    71    58.35000  112.70000
   65    69    73    50.00000  109.50000
   67    51    55    70.00000  120.10000
   67    65    66    35.00000  109.50000
   69    65    66    37.50000  110.70000
   69    65    67    80.00000  111.61500
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    78    50.00000  109.50000
   69    73    79    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    81    83.00000  116.90000
   74    71    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    74    50.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    85    90.00000  109.72300
   81    85    86    45.00000  110.09800
   81    85    94    65.00000  117.82000
   81    85    97    85.00000  107.27000
   85    81    82    75.00000  123.42600
   85    94    95    37.50000  110.70000
   85    94    96    37.50000  110.70000
   85    94   104    58.35000  112.70000
   85    97    98    35.00000  109.50000
   85    97    99    35.00000  109.50000
   85    97   100    35.00000  109.50000
   94    85    86    37.50000  110.70000
   94   104   105    37.50000  110.70000
   94   104   106    37.50000  110.70000
   94   104   110    63.00000  111.10000
   96    94    95    33.00000  107.80000
  104    94    95    37.50000  110.70000
  104    94    96    37.50000  110.70000
  104   110   111    70.00000  117.00000
  104   110   112    70.00000  117.00000
  106   104   105    33.00000  107.80000
  110   104   105    35.00000  109.50000
  110   104   106    35.00000  109.50000
  112   110   111    80.00000  126.00000
   97    85    86    35.00000  109.50000
   97    85    94    80.00000  111.20000
   99    97    98    35.00000  109.50000
  100    97    98    35.00000  109.50000
  100    97    99    35.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    83    90.00000  109.72300
   79    83    84    45.00000  110.09800
   79    83    87    65.00000  117.82000
   79    83    90    85.00000  107.27000
   83    79    80    75.00000  123.42600
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87   101    58.35000  112.70000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   87    83    84    37.50000  110.70000
   87   101   102    37.50000  110.70000
   87   101   103    37.50000  110.70000
   87   101   107    63.00000  111.10000
   89    87    88    33.00000  107.80000
  101    87    88    37.50000  110.70000
  101    87    89    37.50000  110.70000
  101   107   108    70.00000  117.00000
  101   107   109    70.00000  117.00000
  103   101   102    33.00000  107.80000
  107   101   102    35.00000  109.50000
  107   101   103    35.00000  109.50000
  109   107   108    80.00000  126.00000
   90    83    84    35.00000  109.50000
   90    83    87    80.00000  111.20000
   92    90    91    35.00000  109.50000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    47   0.14700  1.0 1.0
   29    33    40    47  -1.16150 -1.0 2.0
   29    33    40    47   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    48   0.56750  1.0 1.0
   33    38    41    48  -0.07550 -1.0 2.0
   33    38    41    48   0.20000  1.0 3.0
   33    38    44    45  -0.05950  1.0 1.0
   33    38    44    45   0.08850 -1.0 2.0
   33    38    44    45   0.11750  1.0 3.0
   33    38    44    46  -0.05950  1.0 1.0
   33    38    44    46   0.08850 -1.0 2.0
   33    38    44    46   0.11750  1.0 3.0
   33    40    47    51   1.63200 -1.0 2.0
   33    40    47    61  -0.24600  1.0 1.0
   33    40    47    61   2.11300 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.74050  1.0 1.0
   34    33    40    47  -0.25600  1.0 1.0
   34    33    40    47  -0.40050 -1.0 2.0
   34    33    40    47   0.34700  1.0 3.0
   38    33    40    47  -0.32850  1.0 1.0
   38    33    40    47  -0.35800 -1.0 2.0
   38    33    40    47   0.33950  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52  -1.63150  1.0 1.0
   38    41    48    52  -0.43550 -1.0 2.0
   38    41    48    52   0.24500  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   41    38    44    45  -0.05950  1.0 1.0
   41    38    44    45   0.08850 -1.0 2.0
   41    38    44    45   0.11750  1.0 3.0
   41    38    44    46  -0.05950  1.0 1.0
   41    38    44    46   0.08850 -1.0 2.0
   41    38    44    46   0.11750  1.0 3.0
   41    48    52    53   0.41150 -1.0 2.0
   41    48    52    54   0.41150 -1.0 2.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52  -0.11250  1.0 3.0
   43    41    48    49   0.15000  1.0 3.0
   43    41    48    50   0.15000  1.0 3.0
   43    41    48    52  -0.11250  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    54   0.00000  1.0 1.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    48   1.53400  1.0 1.0
   44    38    41    48  -0.09950 -1.0 2.0
   44    38    41    48   0.05700  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.74050  1.0 1.0
   40    47    51    55   3.62500 -1.0 2.0
   40    47    51    67   3.62500 -1.0 2.0
   40    47    61    58   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    57   3.62500 -1.0 2.0
   47    51    67    65  -1.00000  1.0 1.0
   47    51    67    65   1.25000 -1.0 2.0
   47    51    67    68   1.00000 -1.0 2.0
   51    47    61    58   3.62500 -1.0 2.0
   51    55   -56    58   3.62500 -1.0 2.0
   51    55    57    59   1.25000 -1.0 2.0
   55    51    67    65  -1.00000  1.0 1.0
   55    51    67    65   1.25000 -1.0 2.0
   55    51    67    68   1.00000 -1.0 2.0
   55    56    58    61   3.62500 -1.0 2.0
   55    56    58    62   3.62500 -1.0 2.0
   55    57    59    60   4.00000 -1.0 2.0
   55    57   -59    65   6.00000 -1.0 2.0
   56    55    57    59   1.25000 -1.0 2.0
   56    58   -61    47   3.62500 -1.0 2.0
   56    58    62    63   1.75000 -1.0 2.0
   56    58    62    64   1.75000 -1.0 2.0
   61    47   -51    55   3.62500 -1.0 2.0
   61    47    51    67   3.62500 -1.0 2.0
   61    58    62    63   1.75000 -1.0 2.0
   61    58    62    64   1.75000 -1.0 2.0
   62    58    61    47   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    59    65    66   0.00000  1.0 1.0
   57    59    65    67   0.00000  1.0 1.0
   57    59    65    69   0.00000  1.0 1.0
   59    65   -67    51  -0.12500  1.0 1.0
   59    65   -67    51  -0.12500 -1.0 2.0
   59    65   -67    51   0.25000  1.0 3.0
   59    65    67    68  -0.12500  1.0 1.0
   59    65    67    68  -0.12500 -1.0 2.0
   59    65    67    68   0.25000  1.0 3.0
   59    65    69    70   0.15000  1.0 3.0
   59    65    69    71   0.34400  1.0 1.0
   59    65    69    71   0.09450 -1.0 2.0
   59    65    69    71   0.11100  1.0 3.0
   59    65    69    73   0.61850  1.0 1.0
   59    65    69    73  -0.22750 -1.0 2.0
   59    65    69    73   0.15300  1.0 3.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    69   0.00000  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    74   0.56750  1.0 1.0
   65    69    71    74  -0.07550 -1.0 2.0
   65    69    71    74   0.20000  1.0 3.0
   65    69    71    78   0.62750  1.0 1.0
   65    69    71    78  -0.30950 -1.0 2.0
   65    69    71    78   0.27300  1.0 3.0
   65    69    73    79  -0.25900  1.0 1.0
   65    69    73    79  -0.47000 -1.0 2.0
   65    69    73    79   0.11750  1.0 3.0
   66    65    67    51   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   67    51    55    56   3.62500 -1.0 2.0
   67    51   -55    57   3.62500 -1.0 2.0
   67    65    69    70   0.22950  1.0 3.0
   67    65    69    71   1.26750  1.0 1.0
   67    65    69    71  -0.00950 -1.0 2.0
   67    65    69    71   0.30600  1.0 3.0
   67    65    69    73   2.03850  1.0 1.0
   67    65    69    73  -0.40600 -1.0 2.0
   69    65    67    51  -0.12500  1.0 1.0
   69    65    67    51  -0.12500 -1.0 2.0
   69    65    67    51   0.25000  1.0 3.0
   69    65    67    68   0.00000  1.0 1.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    81  -0.25900  1.0 1.0
   69    71    78    81  -0.47000 -1.0 2.0
   69    71    78    81   0.11750  1.0 3.0
   69    73    79    80   3.00000 -1.0 2.0
   69    73    79    83   1.63150  1.0 1.0
   69    73    79    83   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.23400  1.0 3.0
   70    69    73    79   0.08050  1.0 3.0
   71    69    73    79  -0.25900  1.0 1.0
   71    69    73    79  -0.47000 -1.0 2.0
   71    69    73    79   0.11750  1.0 3.0
   71    78    81    82   3.00000 -1.0 2.0
   71    78    81    85   1.63150  1.0 1.0
   71    78    81    85   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    81   0.08050  1.0 3.0
   74    71    78    81  -0.25900  1.0 1.0
   74    71    78    81  -0.47000 -1.0 2.0
   74    71    78    81   0.11750  1.0 3.0
   78    71    74    75   0.23400  1.0 3.0
   78    71    74    76   0.23400  1.0 3.0
   78    71    74    77   0.23400  1.0 3.0
   78    81    85    86   0.00000  1.0 1.0
   78    81    85    94   0.36750  1.0 3.0
   78    81    85    97   0.40000  1.0 3.0
   81    85    94    95  -0.03800  1.0 3.0
   81    85    94    96  -0.03800  1.0 3.0
   81    85    94   104  -0.76350  1.0 1.0
   81    85    94   104   1.70300 -1.0 2.0
   81    85    97    98   0.17350  1.0 3.0
   81    85    97    99   0.17350  1.0 3.0
   81    85    97   100   0.17350  1.0 3.0
   82    81    85    86   0.00000  1.0 1.0
   82    81    85    94   0.00000  1.0 1.0
   82    81    85    97   0.00000  1.0 1.0
   85    94   104   105   0.15000  1.0 3.0
   85    94   104   106   0.15000  1.0 3.0
   85    94   104   110  -1.59250  1.0 1.0
   85    94   104   110  -0.41250 -1.0 2.0
   85    94   104   110   0.24650  1.0 3.0
   86    85    94    95   0.15000  1.0 3.0
   86    85    94    96   0.15000  1.0 3.0
   86    85    94   104   0.15000  1.0 3.0
   86    85    97    98   0.13050  1.0 3.0
   86    85    97    99   0.13050  1.0 3.0
   86    85    97   100   0.13050  1.0 3.0
   94    85    97    98   0.17350  1.0 3.0
   94    85    97    99   0.17350  1.0 3.0
   94    85    97   100   0.17350  1.0 3.0
   94   104   110   111   0.27300 -1.0 2.0
   94   104   110   112   0.27300 -1.0 2.0
   95    94   104   105   0.15000  1.0 3.0
   95    94   104   106   0.15000  1.0 3.0
   95    94   104   110  -0.11250  1.0 3.0
   96    94   104   105   0.15000  1.0 3.0
   96    94   104   106   0.15000  1.0 3.0
   96    94   104   110  -0.11250  1.0 3.0
  105   104   110   111   0.00000  1.0 1.0
  105   104   110   112   0.00000  1.0 1.0
  106   104   110   111   0.00000  1.0 1.0
  106   104   110   112   0.00000  1.0 1.0
   97    85    94    95   0.23200  1.0 3.0
   97    85    94    96   0.23200  1.0 3.0
   97    85    94   104   1.79450  1.0 1.0
   97    85    94   104   1.06000 -1.0 2.0
   97    85    94   104  -0.53000  1.0 3.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    78   1.11900  1.0 1.0
   73    69    71    78  -1.16350 -1.0 2.0
   73    69    71    78  -0.34150  1.0 3.0
   73    79    83    84   0.00000  1.0 1.0
   73    79    83    87   0.36750  1.0 3.0
   73    79    83    90   0.40000  1.0 3.0
   79    83    87    88  -0.03800  1.0 3.0
   79    83    87    89  -0.03800  1.0 3.0
   79    83    87   101  -0.76350  1.0 1.0
   79    83    87   101   1.70300 -1.0 2.0
   79    83    90    91   0.17350  1.0 3.0
   79    83    90    92   0.17350  1.0 3.0
   79    83    90    93   0.17350  1.0 3.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    87   0.00000  1.0 1.0
   80    79    83    90   0.00000  1.0 1.0
   83    87   101   102   0.15000  1.0 3.0
   83    87   101   103   0.15000  1.0 3.0
   83    87   101   107  -1.59250  1.0 1.0
   83    87   101   107  -0.41250 -1.0 2.0
   83    87   101   107   0.24650  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87   101   0.15000  1.0 3.0
   84    83    90    91   0.13050  1.0 3.0
   84    83    90    92   0.13050  1.0 3.0
   84    83    90    93   0.13050  1.0 3.0
   87    83    90    91   0.17350  1.0 3.0
   87    83    90    92   0.17350  1.0 3.0
   87    83    90    93   0.17350  1.0 3.0
   87   101   107   108   0.27300 -1.0 2.0
   87   101   107   109   0.27300 -1.0 2.0
   88    87   101   102   0.15000  1.0 3.0
   88    87   101   103   0.15000  1.0 3.0
   88    87   101   107  -0.11250  1.0 3.0
   89    87   101   102   0.15000  1.0 3.0
   89    87   101   103   0.15000  1.0 3.0
   89    87   101   107  -0.11250  1.0 3.0
  102   101   107   108   0.00000  1.0 1.0
  102   101   107   109   0.00000  1.0 1.0
  103   101   107   108   0.00000  1.0 1.0
  103   101   107   109   0.00000  1.0 1.0
   90    83    87    88   0.23200  1.0 3.0
   90    83    87    89   0.23200  1.0 3.0
   90    83    87   101   1.79450  1.0 1.0
   90    83    87   101   1.06000 -1.0 2.0
   90    83    87   101  -0.53000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   53    48    52    54  10.50000 -1.0 2.0
   51    61    47    40   4.00000 -1.0 2.0
   55    67    51    47   4.00000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   61    62    58    56   4.00000 -1.0 2.0
   64    58    62    63   1.00000 -1.0 2.0
   65    60    59    57  10.50000 -1.0 2.0
   68    51    67    65   1.00000 -1.0 2.0
   78    85    81    82  10.50000 -1.0 2.0
  111   104   110   112  10.50000 -1.0 2.0
   73    83    79    80  10.50000 -1.0 2.0
  108   101   107   109  10.50000 -1.0 2.0
END
