* LIGAND DATABASE FILE (OPLS2005)
*
001     111   115    210    313     593
    1     0 S   NP   _N1_     1    28.80100    93.37295   -20.03682
    2     1 S   H    _HN1     2     1.02776    78.18853   -85.10863
    3     1 S   H    _H1_     3     1.02959   104.40850    21.01754
    4     1 S   H    _H2_     4     1.02841    32.79041   120.31887
    5     1 S   CT   _CA1     5     1.50095   137.16231   164.87615
    6     5 S   HC   _HA1     6     1.09561   105.34047    35.52657
    7     5 S   CO3  _C1_     7     1.53961   112.07424   -84.96880
    8     7 S   O2Z  _O11     8     1.26367   115.04559   -47.90265
    9     7 S   O2Z  _O12     9     1.26190   114.93250   131.10160
   10     5 S   CT   _CB1    10     1.53092   107.44534   153.67071
   11    10 S   HC   HB11    11     1.09815   109.88397   -47.54932
   12    10 S   HC   HB12    12     1.09834   110.16701    69.10211
   13    10 S   CT   _CG1    13     1.53032   112.51161  -168.54855
   14    13 S   HC   HG11    14     1.09385   110.30323   -51.82930
   15    13 S   HC   HG12    15     1.09595   110.29282    67.09171
   16    13 S   C    _CD1    16     1.51768   111.72561  -172.64115
   17    16 S   O    _OE1    17     1.22764   122.90156   -20.12307
   18    16 S   N    _N2_    18     1.38558   111.99561   160.46930
   19    18 S   H    _HN2    19     1.01559   119.29170     2.61367
   20    18 S   CT1  _CA2    20     1.46295   123.28259  -175.74702
   21    20 S   HC   _HA2    21     1.09690   109.41931   -11.15777
   22    20 S   C    _C2_    22     1.53505   108.85025  -127.42595
   23    22 S   O    _O2_    23     1.23054   122.08531  -151.80274
   24    20 S   CT   _CB2    32     1.53616   111.17592   110.82098
   25    24 S   HC   HB21    33     1.09512   108.65130    58.83988
   26    24 S   HC   HB22    34     1.09488   110.40877   177.26176
   27    22 S   N    _N3_    24     1.38442   113.73085    35.14426
   28    27 S   H    _HN3    25     1.01520   118.85084     0.14804
   29    24 S   S    _SG2    35     1.83383   111.93981   -62.18118
   30    27 S   CT   _CA3    26     1.45427   123.50515   176.53604
   31    30 S   HC   HA31    27     1.09526   109.30463    22.68611
   32    30 S   HC   HA32    28     1.09503   107.07695   139.59880
   33    29 S   CT   _C25    36     1.87669   100.82329   170.34015
   34    33 S   OM   _O39    37     1.32366   106.71714    80.60628
   35    30 S   CO3  _C3_    29     1.52891   113.10321  -100.91067
   36    35 S   O2Z  _O31    30     1.26405   115.38411   -45.34687
   37    35 S   O2Z  _O32    31     1.26352   114.99474   135.62928
   38    33 S   C4T  _C17    38     1.58614   107.53188  -159.59861
   39    38 S   Cl   Cl1_    39     1.89013   109.26235   -61.56454
   40    33 S   OS   _O38    65     1.44408   108.61328   -38.58869
   41    38 S   C4T  _C16    40     1.64101   121.35847    72.64077
   42    38 S   C4T  _C18    55     1.60255   110.27860   171.98310
   43    41 S   CA   _C11    41     1.61262   120.14490    18.84070
   44    41 S   C4T  _C15    53     1.59652    87.36651   133.75356
   45    44 S   Cl   Cl2_    54     1.84785   115.83940    96.98623
   46    42 S   CA   _C19    56     1.62664   112.71135   -26.63956
   47    42 S   CT   _C30    85     1.53988   116.60432    97.82879
   48    47 S   HC   _H29    86     1.09258   113.22441    47.56013
   49    47 S   HC   _H30    87     1.09552   111.19135   -72.88441
   50    47 S   HC   _H31    88     1.09539   111.13511   166.95898
   51    41 S   CT   _C31   108     1.54490   115.94655  -109.63977
   52    51 S   HC   _H32   109     1.09212   113.63336   -50.40629
   53    51 S   HC   _H33   110     1.09660   110.77644  -170.49732
   54    51 S   HC   _H34   111     1.09539   111.21086    69.43319
   55    43 S   CA   _C10    42     1.40857   123.36249   -73.15590
   56    55 S   HA   _H14    43     1.08521   119.46905    -2.89320
   57    46 S   CA   _C20    57     1.40992   123.54858  -177.32131
   58    57 S   HA   _H16    58     1.08785   119.72190    -1.85836
   59    55 S   CA   _C9_    44     1.39923   123.09841   177.15765
   60    59 S   HA   _H13    45     1.08359   118.02994  -178.18522
   61    57 S   CA   _C21    59     1.39786   122.09329   177.10288
   62    61 S   HA   _H17    60     1.08689   119.42309  -179.85196
   63    59 S   CA   _C8_    46     1.38598   119.91750     1.58338
   64    61 S   CA   _C22    61     1.39101   120.14292    -0.93167
   65    63 S   CA   _C13    47     1.38970   119.06322     2.38442
   66    65 S   HA   _H15    48     1.08684   120.27202   178.12153
   67    64 S   CA   _C23    62     1.38812   119.43518     1.36544
   68    67 S   HA   _H18    63     1.08472   121.75329   179.35898
   69    64 S   OS   _O40    66     1.36730   116.26235  -179.44117
   70    63 S   OS   _O35    89     1.36728   124.22057  -177.28480
   71    43 S   CA   _C12    49     1.39736   122.02676   109.11855
   72    46 S   CA   _C24    64     1.40323   120.49704     0.76974
   73    69 S   P1   _P2_    67     1.62110   125.84558   161.72695
   74    73 S   ST   _S2_    68     1.94800   116.66600   -61.45384
   75    70 S   P1   _P1_    90     1.62241   125.80797     7.46934
   76    75 S   ST   _S1_    91     1.94808   116.98707   -75.22824
   77    71 S   OS   _O36    50     1.41263   121.54623     3.36092
   78    73 S   OS   _O41    69     1.62695   101.18261   171.70528
   79    73 S   OS   _O42    77     1.62487   102.24237    67.75032
   80    75 S   OS   _O33    92     1.62664   101.37985   157.83514
   81    75 S   OS   _O34   100     1.62599   102.05394    53.90021
   82    77 S   CO4  _C14    51     1.40429   126.56681    -8.14100
   83    82 S   O    _O37    52     1.23492   117.93414  -178.62884
   84    78 S   CT   _C26    70     1.42105   119.69066    64.84340
   85    84 S   HC   _H19    71     1.09419   109.85544   -49.27685
   86    84 S   HC   _H20    72     1.09387   109.25412    70.23635
   87    79 S   CT   _C28    78     1.42020   119.88456   165.36325
   88    87 S   HC   _H24    79     1.09411   108.97839   -72.71216
   89    87 S   HC   _H25    80     1.09353   110.18193    46.65531
   90    80 S   CT   _C5_    93     1.42073   119.72150    62.84863
   91    90 S   HC   _H6_    94     1.09412   109.72821   -53.21256
   92    90 S   HC   _H7_    95     1.09379   109.40060    66.32419
   93    81 S   CT   _C6_   101     1.41943   120.15618   171.54397
   94    93 S   HC   _H8_   102     1.09412   109.84053   -50.95774
   95    93 S   HC   _H9_   103     1.09386   109.25938    68.69118
   96    84 S   CT   _C27    73     1.51449   108.55868  -169.72942
   97    96 S   HC   _H21    74     1.09504   110.62969   -58.87255
   98    96 S   HC   _H22    75     1.09504   110.59921    59.37624
   99    96 S   HC   _H23    76     1.09354   110.92220  -179.75853
  100    87 S   CT   _C29    81     1.51454   108.49148   167.14126
  101   100 S   HC   _H26    82     1.09522   110.59602   -59.29236
  102   100 S   HC   _H27    83     1.09500   110.63611    58.93182
  103   100 S   HC   _H28    84     1.09350   110.92767   179.84549
  104    90 S   CT   _C4_    96     1.51455   108.56709  -173.57047
  105   104 S   HC   _H3_    97     1.09503   110.62486   -58.83817
  106   104 S   HC   _H4_    98     1.09491   110.63899    59.42532
  107   104 S   HC   _H5_    99     1.09354   110.91358  -179.72234
  108    93 S   CT   _C7_   104     1.51452   108.34504  -171.50359
  109   108 S   HC   _H10   105     1.09453   110.61299   -57.15049
  110   108 S   HC   _H11   106     1.09449   110.53688    60.89845
  111   108 S   HC   _H12   107     1.09341   111.01770  -178.23964
  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
  13   6   2   1   1  21   8   8  18  17  16  17   6  13   6   2
   1   1   6   2   1   1   8   4   7   4   7   3   7   3   9   8
   6   3   4   2   7   7   3   1  11   4  11   4   2   9   8   9
   8   1   1   6   5   4   6   5   4   6   5   4   6   5   4   3
   2   1   1   3   2   1   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    42    72    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    43    44    42    46    67    72    40    47    51  
   38    39    41    42    72    40  
   36    37  
   37  
    0  
   39    41    43    55    71    82    44    45    42    46    57    72    40    47    48    49    50    51    52    53    54  
   41    43    44    42    46    40    47    51  
   41    42    46    57    64    67    68    72  
   43    55    56    59    65    71    77    82    83    44    45    42    46    47    51    52    53    54  
   46    57    58    61    67    72    47    48    49    50    51    43    44    45    77    82    83  
   55    56    59    60    63    65    66    71    77    82    44    45    51    52    53    54  
   45    46    57    72    47    48    49    50    51    52    53    54    55    71    77    82    83  
   46    47    51    77    82    83  
   57    58    61    62    64    67    68    72    47    48    49    50    82  
   48    49    50    57    72    82  
   49    50  
   50  
    0  
   52    53    54    55    71    82  
   53    54  
   54  
    0  
   56    59    60    63    65    71    77    70  
   59    60    63    71  
   58    61    62    64    67    72    69  
   61    62    64    72  
   60    63    65    66    71    70    75  
   63    65    70  
   62    64    67    68    72    69    73  
   64    67    69  
   65    66    71    77    70    75    76    80    81  
   67    68    72    69    73    74    78    79  
   66    71    77    82    70    75  
   71    77    70  
   68    72    69    73  
   72    69  
   73    74    78    84    79    87    72  
   75    76    80    90    81    93    71  
   77    82    83  
    0  
   74    78    84    85    86    96    79    87    88    89   100  
   78    84    79    87  
   76    80    90    91    92   104    81    93    94    95   108  
   80    90    81    93  
   82    83  
   84    85    86    96    97    98    99    79    87  
   87    88    89   100   101   102   103    84  
   90    91    92   104   105   106   107    81    93  
   93    94    95   108   109   110   111    90  
   83  
    0  
   85    86    96    97    98    99  
   86    96    97    98    99  
   96    97    98    99  
   88    89   100   101   102   103  
   89   100   101   102   103  
  100   101   102   103  
   91    92   104   105   106   107  
   92   104   105   106   107  
  104   105   106   107  
   94    95   108   109   110   111  
   95   108   109   110   111  
  108   109   110   111  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103  
  102   103  
  103  
    0  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111  
  110   111  
  111  
    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   0.267100   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.267100   2.1950   1.9500   0.001000000   0.320982824
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.100000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   70   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   74   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   75   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   76   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   77   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   78   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   79   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   80   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   81   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660   0.152900   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   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   260.000  1.519
   33    40   320.000  1.410
   38    39   185.000  1.815
   38    41   268.000  1.529
   38    42   268.000  1.529
   41    43   317.000  1.510
   41    44   268.000  1.529
   41    51   260.000  1.519
   43    55   469.000  1.400
   43    71   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    70   450.000  1.364
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    77   450.000  1.364
   77    82   214.000  1.327
   82    83   570.000  1.229
   82    44   265.000  1.493
   44    45   185.000  1.815
   44    42   268.000  1.529
   42    46   317.000  1.510
   42    47   260.000  1.519
   46    57   469.000  1.400
   46    72   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   64    69   450.000  1.364
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    40   450.000  1.364
   69    73   405.000  1.623
   73    74   270.000  1.959
   73    78   405.000  1.623
   73    79   405.000  1.623
   78    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   79    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   70    75   405.000  1.623
   75    76   270.000  1.959
   75    80   405.000  1.623
   75    81   405.000  1.623
   80    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   81    93   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    69.00000  109.80000
   33    38    41    65.00000  119.52000
   33    38    42    65.00000  119.52000
   33    40    72    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    43    50.00000  118.80000
   38    41    44    63.00000   92.00000
   38    41    51    65.00000  119.52000
   38    42    44    63.00000   92.00000
   38    42    46    50.00000  118.80000
   38    42    47    65.00000  119.52000
   41    38    39    65.00000  118.08000
   41    43    55    70.00000  120.00000
   41    43    71    70.00000  120.00000
   41    44    82    80.00000  115.07000
   41    44    45    65.00000  118.08000
   41    44    42    63.00000   92.00000
   41    51    52    45.00000  111.22300
   41    51    53    45.00000  111.22300
   41    51    54    45.00000  111.22300
   43    55    56    35.00000  120.00000
   43    55    59    63.00000  120.00000
   43    71    65    63.00000  120.00000
   43    71    77    70.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    70    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    71    63.00000  120.00000
   63    70    75    70.00000  122.28900
   65    71    77    70.00000  120.00000
   71    43    55    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    77    82    85.00000  115.98000
   77    82    83    83.00000  123.40000
   77    82    44    81.00000  111.40000
   82    44    45    70.00000  110.66000
   82    44    42    80.00000  115.07000
   44    41    43    50.00000  118.80000
   44    82    83    65.00000  127.62700
   44    42    46    50.00000  118.80000
   44    42    47    65.00000  119.52000
   42    38    39    65.00000  118.08000
   42    38    41    63.00000   92.00000
   42    44    45    65.00000  118.08000
   42    46    57    70.00000  120.00000
   42    46    72    70.00000  120.00000
   42    47    48    45.00000  111.22300
   42    47    49    45.00000  111.22300
   42    47    50    45.00000  111.22300
   46    57    58    35.00000  120.00000
   46    57    61    63.00000  120.00000
   46    72    67    63.00000  120.00000
   46    72    40    70.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    67    63.00000  120.00000
   61    64    69    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    72    63.00000  120.00000
   64    69    73    70.00000  122.28900
   67    72    40    70.00000  120.00000
   72    46    57    63.00000  120.00000
   72    67    68    35.00000  120.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   69    64    67    70.00000  120.00000
   69    73    74    80.00000  117.31900
   69    73    78   120.00000  102.38000
   69    73    79   120.00000  102.38000
   73    78    84    75.00000  119.24600
   73    79    87    75.00000  119.24600
   78    73    74    80.00000  117.31900
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    96    50.00000  109.50000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   86    84    85    33.00000  107.80000
   96    84    85    37.50000  110.70000
   96    84    86    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   79    73    74    80.00000  117.31900
   79    73    78   120.00000  102.38000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87   100    50.00000  109.50000
   87   100   101    37.50000  110.70000
   87   100   102    37.50000  110.70000
   87   100   103    37.50000  110.70000
   89    87    88    33.00000  107.80000
  100    87    88    37.50000  110.70000
  100    87    89    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   47    42    46    70.00000  112.17500
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   70    63    65    70.00000  120.00000
   70    75    76    80.00000  117.31900
   70    75    80   120.00000  102.38000
   70    75    81   120.00000  102.38000
   75    80    90    75.00000  119.24600
   75    81    93    75.00000  119.24600
   80    75    76    80.00000  117.31900
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90   104    50.00000  109.50000
   90   104   105    37.50000  110.70000
   90   104   106    37.50000  110.70000
   90   104   107    37.50000  110.70000
   92    90    91    33.00000  107.80000
  104    90    91    37.50000  110.70000
  104    90    92    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   81    75    76    80.00000  117.31900
   81    75    80   120.00000  102.38000
   81    93    94    35.00000  109.50000
   81    93    95    35.00000  109.50000
   81    93   108    50.00000  109.50000
   93   108   109    37.50000  110.70000
   93   108   110    37.50000  110.70000
   93   108   111    37.50000  110.70000
   95    93    94    33.00000  107.80000
  108    93    94    37.50000  110.70000
  108    93    95    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   51    41    43    70.00000  112.17500
   51    41    44    65.00000  119.52000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
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   51    41    43    55   0.04150 -1.0 2.0
   51    41    43    71   0.04150 -1.0 2.0
   51    41    44    82  -0.95700  1.0 1.0
   51    41    44    82  -0.18200 -1.0 2.0
   51    41    44    82   0.29450  1.0 3.0
   51    41    44    45   0.35600  1.0 1.0
   51    41    44    45  -0.14650 -1.0 2.0
   51    41    44    45   0.33350  1.0 3.0
   51    41   -44    42  -0.70950  1.0 1.0
   51    41   -44    42   0.38400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    71    43    41   4.00000 -1.0 2.0
   59    56    55    43   1.10000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   65    70    63    59   4.00000 -1.0 2.0
   71    66    65    63   1.10000 -1.0 2.0
   65    77    71    43   4.00000 -1.0 2.0
   77    44    82    83  10.50000 -1.0 2.0
   57    72    46    42   4.00000 -1.0 2.0
   61    58    57    46   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   67    69    64    61   4.00000 -1.0 2.0
   72    68    67    64   1.10000 -1.0 2.0
   67    40    72    46   4.00000 -1.0 2.0
END
