* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    199    319     591
    1     0 S   NP   _N1_     1    29.02287    93.26383   -23.41781
    2     1 S   H    _HN1     2     1.02783   105.29438   -83.26938
    3     1 S   H    _H1_     3     1.02949    88.31920    25.31175
    4     1 S   H    _H2_     4     1.02829    21.44787   176.71992
    5     1 S   CT   _CA1     5     1.50116   128.82065   140.43391
    6     5 S   HC   _HA1     6     1.09570   105.23798    72.62671
    7     5 S   CO3  _C1_     7     1.53792   112.36584   -47.69469
    8     7 S   O2Z  _O11     8     1.26377   114.99694   -44.36510
    9     7 S   O2Z  _O12     9     1.26235   114.94300   134.76755
   10     5 S   CT   _CB1    10     1.53056   107.41811  -169.36518
   11    10 S   HC   HB11    11     1.09836   109.43420   -49.60328
   12    10 S   HC   HB12    12     1.09821   110.41330    66.96030
   13    10 S   CT   _CG1    13     1.53042   112.62883  -170.64602
   14    13 S   HC   HG11    14     1.09582   110.58393   -63.86063
   15    13 S   HC   HG12    15     1.09653   109.94663    55.48663
   16    13 S   C    _CD1    16     1.51722   112.04938   175.88125
   17    16 S   O    _OE1    17     1.22716   123.14254     2.87004
   18    16 S   N    _N2_    18     1.38604   111.89642  -177.41237
   19    18 S   H    _HN2    19     1.01601   119.12395     0.65492
   20    18 S   CT1  _CA2    20     1.46109   123.06403   179.25638
   21    20 S   HC   _HA2    21     1.09576   109.11708   -11.50518
   22    20 S   C    _C2_    22     1.53402   108.72061  -126.47523
   23    22 S   O    _O2_    23     1.23039   122.27774  -149.67150
   24    20 S   CT   _CB2    32     1.53392   111.91333   110.93942
   25    24 S   HC   HB21    33     1.09653   109.53422    62.18874
   26    24 S   HC   HB22    34     1.09567   110.99872   179.56931
   27    22 S   N    _N3_    24     1.38342   113.51586    37.94564
   28    27 S   H    _HN3    25     1.01648   119.47981    -3.53286
   29    24 S   S    _SG2    35     1.82823   114.49151   -57.43540
   30    27 S   CT   _CA3    26     1.45286   123.14372   176.89008
   31    30 S   HC   HA31    27     1.09551   107.53241   -63.90250
   32    30 S   HC   HA32    28     1.09558   107.94325    52.50776
   33    29 S   CT   _C22    36     1.84093    99.92720   -71.13055
   34    33 S   HC   _H27    37     1.09197   106.78393   -61.37418
   35    33 S   HC   _H28    38     1.09032   106.24281    55.12289
   36    30 S   CO3  _C3_    29     1.52938   114.12664   174.51491
   37    36 S   O2Z  _O31    30     1.26368   116.05132    -0.00000
   38    36 S   O2Z  _O32    31     1.26431   114.41356  -179.95577
   39    33 S   CT   _C21    39     1.55599   113.00283   175.35367
   40    39 S   CT   _C20    40     1.54933   111.82884    59.96373
   41    40 S   HC   _H25    41     1.09550   111.74660     1.94923
   42    40 S   HC   _H26    42     1.09718   110.23725  -117.40905
   43    39 S   OH   _O35    99     1.43823   105.52349   -56.96037
   44    43 S   HO   _H29   100     0.97343   107.68902    54.07738
   45    40 S   CT   _C19    43     1.52695   110.30831   122.00888
   46    45 S   HC   _H9_    44     1.09517   109.69240  -178.78356
   47    45 S   CT   _C18    45     1.52821   111.36671   -57.06988
   48    47 S   HC   _H23    46     1.09711   109.92434   -59.62834
   49    47 S   HC   _H24    47     1.09085   107.72195  -175.33200
   50    47 S   CT   _C9_    48     1.54743   110.60267    61.58357
   51    50 S   HC   _H5_    49     1.09233   105.56862  -112.69262
   52    39 S   CT   _C8_    50     1.61051   114.79963  -176.85471
   53    52 S   CT   _C7_    51     1.55507   111.60817    58.98791
   54    53 S   HC   _H4_    52     1.09578   108.53849   -52.33426
   55    52 S   CO   _C23    89     1.57452   105.97567  -177.71578
   56    55 S   HC   _H10    90     1.08783   110.21328  -179.71745
   57    53 S   CT   _C6_    53     1.52843   112.66975  -170.80119
   58    57 S   HC   _H14    54     1.09538   110.84722   -65.14381
   59    57 S   HC   _H15    55     1.09795   108.74404  -179.40455
   60    53 S   OS   _O39    82     1.44160   110.86328    66.96101
   61    45 S   OS   _O36    91     1.42778   109.95219    63.08865
   62    55 S   OS   _O37    92     1.44170   111.75825   -61.23506
   63    57 S   CT   _C5_    56     1.53623   111.31850    60.26038
   64    63 S   HC   _H3_    57     1.09850   106.18660    57.07569
   65    60 S   CO4  _C26    83     1.36204   117.90330  -151.53327
   66    65 S   O    _O40    84     1.22316   126.50246    -4.13877
   67    62 S   CO4  _C24    93     1.36043   117.21520  -163.36987
   68    67 S   O    _O38    94     1.22314   126.57826     0.40154
   69    50 S   CT   _C10    58     1.59543   115.92445   133.78550
   70    63 S   CT   _C4_    78     1.53641   108.71145   170.97048
   71    70 S   HC   _H11    79     1.09435   111.92345    61.91917
   72    70 S   HC   _H12    80     1.09612   110.25356   -57.30360
   73    70 S   HC   _H13    81     1.09299   111.96949  -175.96255
   74    65 S   CT   _C27    85     1.49830   109.38430   176.20388
   75    74 S   HC   _H33    86     1.09320   109.82780   -57.01787
   76    74 S   HC   _H34    87     1.09377   109.37298  -175.77015
   77    74 S   HC   _H35    88     1.09269   109.80695    64.83413
   78    67 S   CT   _C25    95     1.49846   109.33424  -179.95577
   79    78 S   HC   _H30    96     1.09296   109.79792   -61.75427
   80    78 S   HC   _H31    97     1.09374   109.38076   179.12464
   81    78 S   HC   _H32    98     1.09296   109.83268    60.10023
   82    69 S   CT   _C12    59     1.58112   110.99391    65.01110
   83    82 S   HC   _H6_    60     1.09793   108.35525  -173.26949
   84    69 S   CT   _C11    74     1.55541   112.91316   -53.32449
   85    84 S   HC   _H16    75     1.09698   110.93373   166.09721
   86    84 S   HC   _H17    76     1.09140   113.34439    47.25148
   87    84 S   HC   _H18    77     1.08992   113.09660   -75.76928
   88    82 S   CT   _C13    61     1.52736   117.96235    64.19056
   89    88 S   HC   _H19    62     1.09440   112.67678    77.47010
   90    88 S   HC   _H20    63     1.09338   111.69992   -44.14664
   91    82 S   OS   _O34    73     1.43699   112.06892   -57.53828
   92    88 S   CT   _C14    64     1.51439   103.29487  -159.96114
   93    92 S   HC   _H7_    65     1.09484   112.44470   148.96016
   94    92 S   CM   _C15    66     1.48407   115.85088   -83.51015
   95    94 S   HC   _H21    67     1.07894   125.79850   -63.49151
   96    94 S   CM   _C16    68     1.32688   108.46817   118.88209
   97    96 S   HC   _H22    69     1.07558   128.49811   177.70007
   98    96 S   OS   _O33    70     1.37682   116.48557    -1.55671
   99    92 S   CO   _C17    71     1.53042   103.91393    26.57720
  100    99 S   HC   _H8_    72     1.09527   112.32932   108.89172
  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   7   5   4   3
  13   5   4   2   1   1  20  14   7   6   6   1  12   6  12   6
   5  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7
   5   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1
   1  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4
   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    50    52    53    55    43    44  
   35    39    40    52    43  
   39    40    52    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    50    51    52    53    54    57    69    60    55    56    61    62    43    44  
   41    42    45    46    47    48    49    50    52    53    55    61    43    44  
   42    45    46    47    52    61    43  
   45    46    47    52    61    43  
   44    45    50    52    53    55  
   52  
   46    47    48    49    50    51    52    69    55    56    61    62  
   47    48    49    50    55    61  
   48    49    50    51    52    53    63    69    82    84    55    61  
   49    50    51    52    69    61  
   50    51    52    69    61  
   51    52    53    54    57    63    64    69    82    83    88    91    84    85    86    87    70    60    55    56    61    62  
   52    53    63    69    82    84    55  
   53    54    57    58    59    63    69    82    84    60    65    55    56    61    62    67  
   54    57    58    59    63    64    69    70    60    65    66    74    55    56    61    62  
   57    58    59    63    60    65    55  
   56    61    62    67    68    78    57    60    69  
   61    62    67  
   58    59    63    64    69    82    84    70    71    72    73    60    65  
   59    63    64    69    70    60  
   63    64    69    70    60  
   65    66    74    75    76    77    63  
   62    67  
   67    68    78    79    80    81  
   64    69    82    83    88    91    84    85    86    87    70    71    72    73  
   69    82    84    70    71    72    73  
   66    74    75    76    77  
   74    75    76    77  
   68    78    79    80    81  
   78    79    80    81  
   82    83    88    89    90    92    99    91    84    85    86    87    70    71    72    73  
   71    72    73    82    84  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    88    89    90    92    93    94    98    99   100    91    84    85    86    87  
   88    89    90    92    99    91    84  
   85    86    87    88    91  
   86    87  
   87  
    0  
   89    90    92    93    94    95    96    98    99   100    91  
   90    92    93    94    99    91  
   92    93    94    99    91  
   92    93    94    96    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    98    99   100  
   95    96    97    98    99   100  
   96    97    98    99  
   97    98    99   100  
   98    99  
   99   100  
  100  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.100000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    52   268.000  1.529
   39    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    61   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   268.000  1.529
   52    55   250.000  1.527
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    70   268.000  1.529
   69    82   268.000  1.529
   69    84   268.000  1.529
   82    83   340.000  1.090
   82    88   268.000  1.529
   82    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    92   268.000  1.529
   92    93   340.000  1.090
   92    94   317.000  1.510
   92    99   250.000  1.527
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   340.000  1.080
   96    98   440.000  1.360
   98    99   320.000  1.380
   99   100   340.000  1.090
   99    91   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    65   214.000  1.327
   65    66   570.000  1.229
   65    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   55    56   340.000  1.090
   55    61   320.000  1.380
   55    62   320.000  1.380
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    45    58.35000  112.70000
   39    52    50    58.35000  112.70000
   39    52    53    58.35000  112.70000
   39    52    55    75.00000  109.43000
   39    43    44    55.00000  108.50000
   40    45    46    37.50000  110.70000
   40    45    47    58.35000  112.70000
   40    45    61    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    61    55    60.00000  109.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    69    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    58.35000  112.70000
   50    52    55    75.00000  109.43000
   50    69    63    58.35000  112.70000
   50    69    82    58.35000  112.70000
   50    69    84    58.35000  112.70000
   52    39    40    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    57    58.35000  112.70000
   52    53    60    50.00000  109.50000
   52    55    56    45.00000  112.01100
   52    55    61    90.00000  108.56700
   52    55    62    90.00000  108.56700
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   53    60    65    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    69    58.35000  112.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    69    82    58.35000  112.70000
   63    69    84    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    82    83    37.50000  110.70000
   69    82    88    58.35000  112.70000
   69    82    91    50.00000  109.50000
   69    84    85    37.50000  110.70000
   69    84    86    37.50000  110.70000
   69    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    92    58.35000  112.70000
   82    91    99    60.00000  109.50000
   88    82    83    37.50000  110.70000
   88    92    93    37.50000  110.70000
   88    92    94    70.00000  112.02700
   88    92    99    75.00000  109.43000
   90    88    89    33.00000  107.80000
   92    88    89    37.50000  110.70000
   92    88    90    37.50000  110.70000
   92    94    95    35.00000  117.00000
   92    94    96    70.00000  124.00000
   92    99    98    90.00000  108.56700
   92    99   100    45.00000  112.01100
   92    99    91    90.00000  108.56700
   94    92    93    35.00000  109.50000
   94    96    97    35.00000  120.00000
   94    96    98    80.00000  120.01400
   96    94    95    35.00000  120.00000
   96    98    99    85.00000  113.97000
   98    96    97    55.00000  109.52600
   98    99   100    35.00000  109.50000
   98    99    91    92.60000  111.55000
   99    92    93    45.00000  108.72000
   99    92    94    70.00000  112.02700
   91    82    83    35.00000  109.50000
   91    82    88    50.00000  109.50000
   91    99   100    35.00000  109.50000
   84    69    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    57    50.00000  109.50000
   60    65    66    83.00000  123.40000
   60    65    74    81.00000  111.40000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   74    65    66    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   55    52    53    75.00000  109.43000
   55    62    67    95.00000  111.08000
   61    45    46    35.00000  109.50000
   61    45    47    50.00000  109.50000
   61    55    56    35.00000  109.50000
   62    55    56    35.00000  109.50000
   62    55    61    92.60000  111.55000
   62    67    68    83.00000  123.40000
   62    67    78    81.00000  111.40000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   78    67    68    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    52    50.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
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   55    62    67    78   2.92000 -1.0 2.0
   56    55    61    45   0.37050  1.0 3.0
   56    55    62    67   0.08050  1.0 3.0
   61    45    47    48   0.23400  1.0 3.0
   61    45    47    49   0.23400  1.0 3.0
   61    45   -47    50   0.62750  1.0 1.0
   61    45   -47    50  -0.30950 -1.0 2.0
   61    45   -47    50   0.27300  1.0 3.0
   61    55    62    67  -1.83450  1.0 1.0
   61    55    62    67  -0.02700 -1.0 2.0
   61    55    62    67  -0.20100  1.0 3.0
   62    55    61    45  -0.81800  1.0 1.0
   62    67    78    79   0.00000  1.0 1.0
   62    67    78    80   0.00000  1.0 1.0
   62    67    78    81   0.00000  1.0 1.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    78    80   0.00000  1.0 1.0
   68    67    78    81   0.00000  1.0 1.0
   43    39    40    41   0.23400  1.0 3.0
   43    39    40    42   0.23400  1.0 3.0
   43    39    40    45   0.86500  1.0 1.0
   43    39    40    45  -0.17500 -1.0 2.0
   43    39    40    45   0.20800  1.0 3.0
   43    39    52    50   0.86500  1.0 1.0
   43    39    52    50  -0.17500 -1.0 2.0
   43    39    52    50   0.20800  1.0 3.0
   43    39    52    53   0.86500  1.0 1.0
   43    39    52    53  -0.17500 -1.0 2.0
   43    39    52    53   0.20800  1.0 3.0
   43    39    52    55   0.86500  1.0 1.0
   43    39    52    55  -0.17500 -1.0 2.0
   43    39    52    55   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
   92    95    94    96   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
   60    74    65    66  10.50000 -1.0 2.0
   62    78    67    68  10.50000 -1.0 2.0
END
