* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    211    330     633
    1     0 S   NP   _N1_     1    28.74119    92.78885   -20.98617
    2     1 S   H    _HN1     2     1.02800    86.57356   -97.20285
    3     1 S   H    _H1_     3     1.02939    99.76286    10.73581
    4     1 S   H    _H2_     4     1.02841    26.67411   119.68100
    5     1 S   CT   _CA1     5     1.50080   135.73667   144.19921
    6     5 S   HC   _HA1     6     1.09560   105.29480    47.99734
    7     5 S   CO3  _C1_     7     1.53896   112.22709   -72.48099
    8     7 S   O2Z  _O11     8     1.26396   115.14729   -48.02539
    9     7 S   O2Z  _O12     9     1.26215   115.12820   131.44840
   10     5 S   CT   _CB1    10     1.53162   107.44815   166.12862
   11    10 S   HC   HB11    11     1.09818   109.84396   -47.40919
   12    10 S   HC   HB12    12     1.09816   110.28009    69.32230
   13    10 S   CT   _CG1    13     1.52966   112.39483  -168.28429
   14    13 S   HC   HG11    14     1.09457   110.44387   -56.32770
   15    13 S   HC   HG12    15     1.09639   109.98049    62.65821
   16    13 S   C    _CD1    16     1.51794   112.37497  -176.71705
   17    16 S   O    _OE1    17     1.22719   123.29829    -4.61346
   18    16 S   N    _N2_    18     1.38587   111.60617   175.30485
   19    18 S   H    _HN2    19     1.01670   118.91154     1.68540
   20    18 S   CT1  _CA2    20     1.46220   123.60756  -178.27422
   21    20 S   HC   _HA2    21     1.09729   109.33569    -0.02798
   22    20 S   C    _C2_    22     1.53398   108.93849  -115.87013
   23    22 S   O    _O2_    23     1.23063   122.20177  -148.77546
   24    20 S   CT   _CB2    32     1.53554   111.16694   121.70512
   25    24 S   HC   HB21    33     1.09332   109.39369    59.02629
   26    24 S   HC   HB22    34     1.09488   110.21366   177.56892
   27    22 S   N    _N3_    24     1.38314   113.72449    38.77290
   28    27 S   H    _HN3    25     1.01610   119.56072    -3.84318
   29    24 S   S    _SG2    35     1.82957   110.94333   -63.09121
   30    27 S   CT   _CA3    26     1.45292   123.09253   176.89089
   31    30 S   HC   HA31    27     1.09555   107.53876   -63.14316
   32    30 S   HC   HA32    28     1.09559   107.91904    53.24432
   33    29 S   CT   _C10    36     1.87594   102.18316   157.64309
   34    30 S   CO3  _C3_    29     1.52933   114.18340   175.19735
   35    34 S   O2Z  _O31    30     1.26362   116.07986    -1.41333
   36    34 S   O2Z  _O32    31     1.26438   114.40574   178.64650
   37    33 S   CT   _C9_    37     1.55183   106.36593   176.88115
   38    37 S   HC   _H13    38     1.09752   109.58930   168.70269
   39    37 S   HC   _H14    39     1.09600   110.78361    53.04141
   40    33 S   CT   _C11    87     1.55622   110.06757   -64.46561
   41    40 S   HC   _H15    88     1.09800   110.99406  -163.41518
   42    40 S   HC   _H16    89     1.09791   110.07043    81.15857
   43    37 S   CT   _C8_    40     1.53448   115.15757   -69.67428
   44    43 S   HC   _H11    41     1.09452   108.60236    72.39124
   45    43 S   HC   _H12    42     1.09510   107.12677  -173.20335
   46    40 S   CO4  _C12    90     1.51437   117.19411   -40.28103
   47    46 S   O    _O33    91     1.22518   123.32823   104.64888
   48    43 S   CT   _C7_    43     1.54627   113.85663   -51.02464
   49    48 S   HC   _H5_    44     1.09913   106.69061   -63.35421
   50    46 S   OS   _O34    92     1.36240   110.98680   -75.82444
   51    48 S   CT   _C6_    45     1.54210   109.09872    52.53080
   52    51 S   HC   _H4_    46     1.09648   108.73685    61.86660
   53    50 S   CT   _C13    93     1.43769   114.87730   177.31657
   54    53 S   HC   _H17    94     1.09617   109.02886    59.66502
   55    53 S   HC   _H18    95     1.09339   109.32984   -59.14816
   56    51 S   CO4  _C24    47     1.52507   112.50566   175.75365
   57    56 S   O    _O35    48     1.23349   121.71276   144.43734
   58    33 S   CT   _C5_    81     1.57309   110.91258    58.88155
   59    58 S   HC   _H3_    82     1.09783   108.53449   -55.77761
   60    53 S   CT   _C14    96     1.52287   109.30285   178.66793
   61    60 S   HC   _H19    97     1.09552   109.34224   -58.16318
   62    60 S   HC   _H20    98     1.09466   112.24796   179.92338
   63    56 S   CT   _C23    49     1.52184   117.27009   -43.13742
   64    63 S   HC   _H7_    50     1.09307   107.09590   -75.52962
   65    58 S   CT   _C4_    83     1.54893   111.79965  -171.14080
   66    65 S   HC   _H8_    84     1.09304   112.64457   -52.94407
   67    65 S   HC   _H9_    85     1.09315   112.25215  -174.05436
   68    65 S   HC   _H10    86     1.09491   110.71812    67.57995
   69    60 S   NP   _N4_    99     1.51729   111.05624    58.94687
   70    69 S   H    _H21   100     1.02838   106.78744   -46.01235
   71    63 S   CT   _C22    51     1.54503   112.06019    47.76485
   72    71 S   HC   _H6_    52     1.10343   105.01196    57.09719
   73    63 S   OH   _O36    79     1.41973   105.94729   169.16904
   74    73 S   HO   _H34    80     0.97323   107.57553    58.40679
   75    69 S   CT   _C15   101     1.50508   113.60118    71.93250
   76    75 S   HC   _H22   102     1.09270   108.57119    60.89421
   77    75 S   HC   _H23   103     1.09350   107.96455  -178.98374
   78    75 S   HC   _H24   104     1.09152   108.78596   -60.60329
   79    69 S   CT   _C16   105     1.50526   111.40590  -161.92151
   80    79 S   HC   _H25   106     1.09326   108.56421   -62.59917
   81    79 S   HC   _H26   107     1.09319   108.13943    58.05763
   82    79 S   HC   _H27   108     1.09325   108.14811   176.74851
   83    71 S   CT   _C21    53     1.58697   116.34369   170.74375
   84    83 S   CT   _C20    54     1.55475   109.03857  -179.38324
   85    84 S   HC   _H32    55     1.09808   110.62701  -175.02232
   86    84 S   HC   _H33    56     1.09904   109.20798    68.75264
   87    83 S   CO4  _C26    68     1.54186   114.97943    57.73953
   88    87 S   O    _O37    69     1.22577   124.48897   122.09187
   89    83 S   CT   _C25    75     1.55139   112.37330   -63.56665
   90    89 S   HC   _H35    76     1.09550   111.30942   -46.92351
   91    89 S   HC   _H36    77     1.09749   110.78246  -166.45703
   92    89 S   HC   _H37    78     1.09339   113.21268    75.38839
   93    84 S   CT   _C19    57     1.51972   114.14643   -52.36036
   94    93 S   HC   _H30    58     1.09682   108.96476   176.87964
   95    93 S   HC   _H31    59     1.09434   111.06130   -66.77244
   96    87 S   OS   _O38    70     1.36300   111.36736   -59.75136
   97    93 S   CT   _C18    60     1.51865   111.23679    56.69056
   98    97 S   HC   _H28    61     1.09826   108.22239    65.89181
   99    97 S   HC   _H29    62     1.09623   107.60139  -179.56659
  100    96 S   CT   _C27    71     1.43071   115.68943  -179.49954
  101   100 S   HC   _H38    72     1.09323   108.06078  -179.12330
  102   100 S   HC   _H39    73     1.09411   110.26450    62.19566
  103   100 S   HC   _H40    74     1.09423   110.28610   -60.48496
  104    48 S   CT   _C17    63     1.58575   113.89737  -179.50663
  105   104 S   CT   _C28    64     1.54799   110.61035   -58.72826
  106   105 S   HC   _H41    65     1.09286   112.66167   -56.59852
  107   105 S   HC   _H42    66     1.09047   112.56104  -177.74701
  108   105 S   HC   _H43    67     1.09494   111.39863    63.86271
  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  13   5   4   3
  22   2   1   1  16   7   6  11   5   4  12   5   4   7   2  21
   8   7  16   7   9   5   4  12   5   7   4  12   5   4  12   6
   3   2   1   1   9   8  23   8   3   1   7   3   2   1   3   2
   1   1  17  16   7   6  12   3   6   2   1   1   7   5   4   4
   7   3   2   3   2   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    58    59    65    40    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    51    52    56    58    59    65    66    67    68    40    41    42    46    47    50  
   35    36  
   36  
    0  
   38    39    43    44    45    48    49    51   104    58    59    65    40    41    42    46  
   39    43    44    45    48    58    40  
   43    44    45    48    58    40  
   41    42    46    47    50    53    43    51    58    59    65  
   42    46    47    50    58  
   46    47    50    58  
   44    45    48    49    51    52    56    71    97   104   105    58  
   45    48    49    51   104  
   48    49    51   104  
   47    50    53    54    55    60    58  
   50    53  
   49    51    52    56    57    63    71    72    83    93    97    98    99   104   105   106   107   108    58    59    65  
   51    52    56    71    97   104   105    58  
   53    54    55    60    61    62    69  
   52    56    57    63    64    71    97   104   105    73    58    59    65    66    67    68  
   56    57    63   104    58    59    65  
   54    55    60    61    62    69    70    75    79  
   55    60    61    62    69  
   60    61    62    69  
   57    63    64    71    72    83   104    73    74    58    59    65  
   63    64    71    73    58  
   59    65    66    67    68    63   104  
   65    66    67    68  
   61    62    69    70    75    76    77    78    79    80    81    82  
   62    69    70    75    79  
   69    70    75    79  
   64    71    72    83    84    97   104   105    87    89    73    74  
   71    72    83   104    73    74  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   72    83    84    85    86    93    97    98    99   104   105   106   107   108    87    88    96    89    90    91    92    73    74  
   83    84    97   104   105    87    89    73  
   74    83   104  
    0  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    93    94    95    97   104   105    87    88    96   100    89    90    91    92  
   85    86    93    94    95    97    98    99   104    87    88    96    89    90    91    92  
   86    93    94    95    97    87    89  
   93    94    95    97    87    89  
   88    96   100   101   102   103    89    90    91    92    93   104  
   96   100    89  
   90    91    92    93    96   104  
   91    92  
   92  
    0  
   94    95    97    98    99   104   105  
   95    97    98    99   104  
   97    98    99   104  
  100   101   102   103  
   98    99   104   105   106   107   108  
   99   104   105  
  104   105  
  101   102   103  
  102   103  
  103  
    0  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.414400   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48   104   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.522
   51    58   268.000  1.529
   56    57   570.000  1.229
   56    63   317.000  1.522
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    73   320.000  1.410
   71    72   340.000  1.090
   71    83   268.000  1.529
   71   104   268.000  1.529
   83    84   268.000  1.529
   83    87   317.000  1.522
   83    89   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   104   268.000  1.529
  104   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   87    88   570.000  1.229
   87    96   214.000  1.327
   96   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   553.000  0.945
   58    59   340.000  1.090
   58    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   367.000  1.471
   69    70   434.000  1.010
   69    75   367.000  1.471
   69    79   367.000  1.471
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    58    51    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    63.00000  111.10000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48   104    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    56    63.00000  111.10000
   48    51    58    58.35000  112.70000
   48   104    71    58.35000  112.70000
   48   104    97    58.35000  112.70000
   48   104   105    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    56    57    80.00000  120.40000
   51    56    63    70.00000  116.00000
   51    58    59    37.50000  110.70000
   51    58    65    58.35000  112.70000
   56    51    52    35.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    71    63.00000  111.10000
   56    63    73    90.00000  109.61100
   63    56    57    80.00000  120.40000
   63    71    72    37.50000  110.70000
   63    71    83    58.35000  112.70000
   63    71   104    58.35000  112.70000
   63    73    74    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    83    84    58.35000  112.70000
   71    83    87    63.00000  111.10000
   71    83    89    58.35000  112.70000
   71   104    97    58.35000  112.70000
   71   104   105    58.35000  112.70000
   83    71    72    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    86    37.50000  110.70000
   83    84    93    58.35000  112.70000
   83    87    88    80.00000  120.40000
   83    87    96    81.00000  111.40000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    37.50000  110.70000
   84    93    94    37.50000  110.70000
   84    93    95    37.50000  110.70000
   84    93    97    58.35000  112.70000
   86    84    85    33.00000  107.80000
   93    84    85    37.50000  110.70000
   93    84    86    37.50000  110.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   104    58.35000  112.70000
   95    93    94    33.00000  107.80000
   97    93    94    37.50000  110.70000
   97    93    95    37.50000  110.70000
   97   104   105    58.35000  112.70000
   99    97    98    33.00000  107.80000
  104    48    49    37.50000  110.70000
  104    48    51    58.35000  112.70000
  104    71    72    37.50000  110.70000
  104    71    83    58.35000  112.70000
  104    97    98    37.50000  110.70000
  104    97    99    37.50000  110.70000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   87    83    84    63.00000  111.10000
   87    96   100    83.00000  116.90000
   96    87    88    83.00000  123.40000
   96   100   101    35.00000  109.50000
   96   100   102    35.00000  109.50000
   96   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   89    83    84    58.35000  112.70000
   89    83    87    63.00000  111.10000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    71    50.00000  109.50000
   58    33    37    58.35000  112.70000
   58    51    52    37.50000  110.70000
   58    51    56    63.00000  111.10000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   65    58    59    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    46    47    80.00000  120.40000
   40    46    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    50    53    83.00000  116.90000
   50    46    47    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    69    80.00000  111.20000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    69    70    35.00000  109.50000
   60    69    75    75.00000  113.01200
   60    69    79    75.00000  113.01200
   62    60    61    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    62    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   69    79    80    35.00000  109.50000
   69    79    81    35.00000  109.50000
   69    79    82    35.00000  109.50000
   75    69    70    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    70    35.00000  109.50000
   79    69    75    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
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   40    33    58    65   0.20000  1.0 3.0
   40    46    50    53   1.63150  1.0 1.0
   40    46    50    53   2.92000 -1.0 2.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    50   0.00000  1.0 1.0
   42    40    46    47   0.00000  1.0 1.0
   42    40    46    50   0.00000  1.0 1.0
   46    50    53    54   0.08050  1.0 3.0
   46    50    53    55   0.08050  1.0 3.0
   46    50    53    60  -0.25900  1.0 1.0
   46    50    53    60  -0.47000 -1.0 2.0
   46    50    53    60   0.11750  1.0 3.0
   47    46    50    53   3.00000 -1.0 2.0
   50    53    60    61   0.23400  1.0 3.0
   50    53    60    62   0.23400  1.0 3.0
   50    53    60    69   1.69300  1.0 1.0
   50    53    60    69  -0.48450 -1.0 2.0
   53    60    69    70   0.17350  1.0 3.0
   53    60    69    75   0.47100  1.0 1.0
   53    60    69    79   0.47100  1.0 1.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    69   0.19200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    69   0.19200  1.0 3.0
   60    69    75    76   0.15000  1.0 3.0
   60    69    75    77   0.15000  1.0 3.0
   60    69    75    78   0.15000  1.0 3.0
   60    69    79    80   0.15000  1.0 3.0
   60    69    79    81   0.15000  1.0 3.0
   60    69    79    82   0.15000  1.0 3.0
   61    60    69    70   0.13050  1.0 3.0
   61    60    69    75   0.15000  1.0 3.0
   61    60    69    79   0.15000  1.0 3.0
   62    60    69    70   0.13050  1.0 3.0
   62    60    69    75   0.15000  1.0 3.0
   62    60    69    79   0.15000  1.0 3.0
   70    69    75    76   0.13050  1.0 3.0
   70    69    75    77   0.13050  1.0 3.0
   70    69    75    78   0.13050  1.0 3.0
   70    69    79    80   0.13050  1.0 3.0
   70    69    79    81   0.13050  1.0 3.0
   70    69    79    82   0.13050  1.0 3.0
   75    69    79    80   0.15000  1.0 3.0
   75    69    79    81   0.15000  1.0 3.0
   75    69    79    82   0.15000  1.0 3.0
   79    69    75    76   0.15000  1.0 3.0
   79    69    75    77   0.15000  1.0 3.0
   79    69    75    78   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   51    63    56    57  10.50000 -1.0 2.0
   83    96    87    88  10.50000 -1.0 2.0
   40    50    46    47  10.50000 -1.0 2.0
END
