* LIGAND DATABASE FILE (OPLS2005)
*
001     103   106    200    328     605
    1     0 S   NP   _N1_     1    29.05129    92.72883   -19.44274
    2     1 S   H    _HN1     2     1.02955   101.76021    13.01448
    3     1 S   H    _H1_     3     1.02830    35.38702   116.06259
    4     1 S   H    _H2_     4     1.02778    76.93439   -93.34400
    5     1 S   CT   _CA1     5     1.50179   140.58125   157.47269
    6     5 S   HC   _HA1     6     1.09568   105.21125    35.21561
    7     5 S   CO3  _C1_     7     1.53852   112.13571   -84.99642
    8     7 S   O2Z  _O11     8     1.26389   115.00844   -45.46612
    9     7 S   O2Z  _O12     9     1.26218   114.92116   133.23815
   10     5 S   CT   _CB1    10     1.53039   107.34415   153.15580
   11    10 S   HC   HB11    11     1.09828   109.50915   -48.45015
   12    10 S   HC   HB12    12     1.09835   110.33033    68.13162
   13    10 S   CT   _CG1    13     1.53046   112.72386  -169.46636
   14    13 S   HC   HG11    14     1.09606   110.36645   -60.86102
   15    13 S   HC   HG12    15     1.09623   110.15980    58.48121
   16    13 S   C    _CD1    16     1.51825   111.95712   178.83349
   17    16 S   O    _OE1    17     1.22781   123.13787    -5.62539
   18    16 S   N    _N2_    18     1.38608   111.84001   174.08991
   19    18 S   H    _HN2    19     1.01603   119.23684     2.25429
   20    18 S   CT1  _CA2    20     1.46432   123.19730  -174.21307
   21    20 S   HC   _HA2    21     1.09748   109.19674    -7.39820
   22    20 S   C    _C2_    22     1.53327   109.23501  -123.23768
   23    22 S   O    _O2_    23     1.23055   122.31684  -151.84044
   24    20 S   CT   _CB2    32     1.53954   111.13701   113.95711
   25    24 S   HC   HB21    33     1.09172   108.03565    61.19625
   26    24 S   HC   HB22    34     1.09147   109.74558   179.86012
   27    22 S   N    _N3_    24     1.38377   113.61980    35.94053
   28    27 S   H    _HN3    25     1.01638   119.41263    -4.06929
   29    24 S   S    _SG2    35     1.82557   109.78807   -59.96437
   30    27 S   CT   _CA3    26     1.45262   123.04431   176.80500
   31    30 S   HC   HA31    27     1.09555   107.58094   -62.55451
   32    30 S   HC   HA32    28     1.09564   107.85907    53.79920
   33    29 S   CT   _C10    36     1.95597   106.30455   173.01127
   34    30 S   CO3  _C3_    29     1.52902   114.25327   175.81105
   35    34 S   O2Z  _O31    30     1.26349   116.12737     1.25398
   36    34 S   O2Z  _O32    31     1.26443   114.38347  -178.72774
   37    33 S   CT   _C9_    37     1.71564   101.76061  -147.93873
   38    33 S   CT   _C5_    54     1.71118   105.62913    95.29169
   39    33 S   CT   _C11    98     1.61916   109.66477   -24.82281
   40    39 S   OM   _O35    99     1.32639   111.94239   -67.39188
   41    39 S   HC   _H4_   100     1.09650   103.45002    59.03381
   42    37 S   CO4  _C13    38     1.59941   113.23957    38.96398
   43    42 S   O    _O36    39     1.23510   122.94984    43.41445
   44    38 S   CT   _C4_    55     1.57228   114.87804    18.41862
   45    44 S   HC   _H8_    56     1.09542   112.10942   -74.45143
   46    44 S   HC   _H9_    57     1.09607   110.92675   166.55923
   47    44 S   HC   _H10    58     1.08914   114.90561    48.08866
   48    38 S   CT   _C25    59     1.59755   113.92922  -102.33336
   49    48 S   HC   _H7_    60     1.08785   109.42617   -53.09542
   50    37 S   CT   _C24    94     1.54732   113.48443   155.14054
   51    50 S   HC   _H28    95     1.08983   113.52959    69.58217
   52    50 S   HC   _H29    96     1.09108   112.61845   -54.43453
   53    50 S   HC   _H30    97     1.09068   112.00673  -169.94494
   54    39 S   CO3  _C12   101     1.57977   125.17947   171.12022
   55    54 S   O2Z  _O34   102     1.27147   115.00666  -156.84015
   56    54 S   O2Z  _O33   103     1.26158   117.15585    19.30961
   57    42 S   CT   _C14    40     1.52385   121.01340  -144.09173
   58    57 S   HC   _H15    41     1.09699   107.41589   153.79230
   59    57 S   HC   _H16    42     1.09247   108.55133   -90.84316
   60    48 S   C5BC _C26    61     1.51081   116.67684  -171.29196
   61    48 S   OH   _O42    69     1.42886   110.10203    63.89552
   62    61 S   HO   _H34    70     0.97257   107.25058  -163.86586
   63    57 S   CT   _C15    43     1.50443   111.19597    34.78560
   64    63 S   HC   _H5_    44     1.10295   104.73141    57.23713
   65    60 S   C5BC _C27    62     1.42578   128.27619   -87.44778
   66    65 S   HA   _H31    63     1.08090   127.29094     1.58004
   67    63 S   CT   _C16    45     1.54185   112.36196   -59.23006
   68    65 S   C5A  _C28    64     1.37438   106.68445  -178.53393
   69    68 S   HA   _H32    65     1.08017   133.81579  -179.65508
   70    37 S   CT   _C8_    46     1.58505   107.77713   -83.34889
   71    70 S   HC   _H3_    47     1.09155   103.46913    49.12030
   72    68 S   OA   _O41    66     1.35658   110.49039     0.82139
   73    67 S   CT   _C17    71     1.55698    96.80478  -172.73169
   74    73 S   HC   _H6_    72     1.09803   109.62700   -70.96726
   75    67 S   CT   _C23    89     1.55759   113.06097   -58.35084
   76    75 S   HC   _H25    90     1.08878   112.91690    46.36987
   77    75 S   HC   _H26    91     1.09363   111.15846   -72.19057
   78    70 S   CT   _C7_    48     1.53118   113.33412   -62.30278
   79    78 S   HC   _H13    49     1.09047   112.70174   -89.12630
   80    78 S   HC   _H14    50     1.09737   108.27017   154.31030
   81    60 S   C5A  _C29    67     1.38282   126.74347    95.83631
   82    81 S   HA   _H33    68     1.08089   133.26747    -1.60157
   83    73 S   OS   _O37    73     1.45847   103.99059    42.99018
   84    73 S   CT   _C21    83     1.52703   117.91954   161.94536
   85    84 S   HC   _H23    84     1.09367   110.67132    45.97285
   86    84 S   HC   _H24    85     1.09710   110.14734   -73.30939
   87    75 S   OH   _O40    92     1.41803   113.14463   168.64492
   88    87 S   HO   _H27    93     0.97208   107.30283   179.52895
   89    78 S   CT   _C6_    51     1.52527   114.84562    33.75347
   90    89 S   HC   _H11    52     1.09653   105.83991   155.16436
   91    89 S   HC   _H12    53     1.09174   109.62715   -92.73370
   92    63 S   CT   _C18    74     1.53160   120.73958   175.10655
   93    84 S   CO3  _C22    86     1.53480   115.68977   166.32362
   94    93 S   O2Z  _O39    87     1.26087   117.04712    -7.60078
   95    93 S   O2Z  _O38    88     1.26607   113.89513   172.91784
   96    92 S   CT   _C19    75     1.52866   115.69409    30.47681
   97    96 S   HC   _H17    76     1.09631   110.52081   172.74837
   98    96 S   HC   _H18    77     1.09172   112.62551    54.53834
   99    96 S   HC   _H19    78     1.09504   111.49238   -66.89034
  100    92 S   CT   _C20    79     1.53522   111.21557   -93.84828
  101   100 S   HC   _H20    80     1.09615   110.79335  -175.96585
  102   100 S   HC   _H21    81     1.09456   111.56114    62.97160
  103   100 S   HC   _H22    82     1.09620   111.19827   -58.38774
  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
  30   2   1   1  26  24  11   4   3  15   6  11   4   3   2  14
   6   8   3   2   1   2   1   1  12   5   4  10   4   1  22   8
   6   4  21   4   2  16   6   2  16   7   8   3   2   5   4   3
   1   1  13   6   4   3   1   1   2   1   1   8   2   1   1   7
   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    70    89    38    44    48    50    39    40    41    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    57    67    70    71    78    89    90    91    38    44    45    46    47    48    49    60    61    50    51    52    53    39    40    41    54    55    56  
   35    36  
   36  
    0  
   42    43    57    58    59    63    67    70    71    78    79    80    89    38    44    48    73    75    50    51    52    53    39    40    41    54  
   44    45    46    47    48    49    60    65    81    61    62    50    39    40    41    54    42    70    78    79    80    89    90    91  
   40    41    54    55    56    42    44    48    50    70    89  
   41    54    55    56  
   54    55    56  
   43    57    58    59    63    64    67    70    71    78    92    50    51    52    53  
   57    58    59    63    70    50  
   45    46    47    48    49    60    61    78    89    90    91  
   46    47    48    89  
   47    48    89  
   48    89  
   49    60    65    66    68    72    81    82    61    62    78    89    90    91  
   60    65    81    61    62    89  
   51    52    53    57    67    70    71    78  
   52    53    70  
   53    70  
   70  
   55    56  
   56  
    0  
   58    59    63    64    67    70    73    83    92    96   100    75  
   59    63    64    67    92  
   63    64    67    92  
   65    66    68    69    72    81    82    61    62    89  
   62    65    81    89  
    0  
   64    67    70    71    78    73    74    83    92    96    97    98    99   100   101   102   103    84    75    76    77    87  
   67    70    73    83    92    96   100    75  
   66    68    69    72    81    82  
   68    69    72    81  
   70    71    78    79    80    89    73    74    83    92    96   100    84    85    86    93    75    76    77    87    88  
   69    72    81    82  
   72    81  
   71    78    79    80    89    90    91    73    74    83    92    84    75    76    77    87  
   78    79    80    89    73    75  
   81    82  
   74    83    92    96   100    84    85    86    93    94    95    75    76    77    87    78  
   83    92    84    85    86    93    75  
   76    77    87    88    78    83    84    92  
   77    87    88  
   87    88  
   79    80    89    90    91  
   80    89    90    91  
   89    90    91  
   82  
    0  
   92    96    97    98    99   100   101   102   103    84    85    86    93  
   85    86    93    94    95    92  
   86    93    94    95  
   93    94    95  
   88  
    0  
   90    91  
   91  
    0  
   96    97    98    99   100   101   102   103  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100  
  101   102   103  
  102   103  
  103  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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
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    38   268.000  1.529
   33    39   268.000  1.529
   37    42   317.000  1.522
   37    70   268.000  1.529
   37    50   268.000  1.529
   42    43   570.000  1.229
   42    57   317.000  1.522
   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    67   268.000  1.529
   63    92   268.000  1.529
   67    70   268.000  1.529
   67    73   268.000  1.529
   67    75   268.000  1.529
   70    71   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    38   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    60   285.000  1.502
   48    61   320.000  1.410
   60    65   469.000  1.424
   60    81   546.000  1.367
   65    66   367.000  1.080
   65    68   546.000  1.367
   68    69   367.000  1.080
   68    72   340.000  1.360
   72    81   340.000  1.360
   81    82   367.000  1.080
   61    62   553.000  0.945
   73    74   340.000  1.090
   73    83   320.000  1.410
   73    84   268.000  1.529
   83    92   320.000  1.410
   92    96   268.000  1.529
   92   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   317.000  1.522
   93    94   656.000  1.250
   93    95   656.000  1.250
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    87   320.000  1.410
   87    88   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
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    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    42    63.00000  111.10000
   33    37    70    58.35000  112.70000
   33    37    50    58.35000  112.70000
   33    38    89    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    54    70.00000  109.69300
   37    42    43    80.00000  120.40000
   37    42    57    70.00000  116.00000
   37    70    67    58.35000  112.70000
   37    70    71    37.50000  110.70000
   37    70    78    58.35000  112.70000
   37    50    51    37.50000  110.70000
   37    50    52    37.50000  110.70000
   37    50    53    37.50000  110.70000
   42    57    58    35.00000  109.50000
   42    57    59    35.00000  109.50000
   42    57    63    63.00000  111.10000
   57    42    43    80.00000  120.40000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    92    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    67    70    58.35000  112.70000
   63    67    73    58.35000  112.70000
   63    67    75    58.35000  112.70000
   63    92    83    50.00000  109.50000
   63    92    96    58.35000  112.70000
   63    92   100    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    78    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    83    50.00000  109.50000
   67    73    84    58.35000  112.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    87    50.00000  109.50000
   70    37    42    63.00000  111.10000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    89    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    38    58.35000  112.70000
   80    78    79    33.00000  107.80000
   89    78    79    37.50000  110.70000
   89    78    80    37.50000  110.70000
   89    38    44    58.35000  112.70000
   89    38    48    58.35000  112.70000
   91    89    90    33.00000  107.80000
   38    33    37    58.35000  112.70000
   38    89    90    37.50000  110.70000
   38    89    91    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    60    70.00000  112.17500
   38    48    61    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    44    58.35000  112.70000
   48    60    65    60.00000  130.00000
   48    60    81    60.00000  130.00000
   48    61    62    55.00000  108.50000
   60    48    49    35.00000  109.50000
   60    65    66    35.00000  127.50000
   60    65    68    70.00000  107.30000
   60    81    72    70.00000  110.60000
   60    81    82    35.00000  132.10000
   65    68    69    35.00000  132.10000
   65    68    72    70.00000  110.60000
   68    65    66    35.00000  125.70000
   68    72    81    70.00000  106.50000
   72    68    69    35.00000  113.40000
   72    81    82    35.00000  113.40000
   81    60    65    70.00000  107.30000
   61    48    49    35.00000  109.50000
   61    48    60    90.00000  112.51600
   73    67    70    58.35000  112.70000
   73    83    92    60.00000  109.50000
   73    84    85    37.50000  110.70000
   73    84    86    37.50000  110.70000
   73    84    93    70.00000  109.69300
   83    73    74    35.00000  109.50000
   83    92    96    50.00000  109.50000
   83    92   100    50.00000  109.50000
   92    63    64    37.50000  110.70000
   92    63    67    58.35000  112.70000
   92    96    97    37.50000  110.70000
   92    96    98    37.50000  110.70000
   92    96    99    37.50000  110.70000
   92   100   101    37.50000  110.70000
   92   100   102    37.50000  110.70000
   92   100   103    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
  100    92    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   84    73    74    37.50000  110.70000
   84    73    83    50.00000  109.50000
   84    93    94    70.00000  117.00000
   84    93    95    70.00000  117.00000
   86    84    85    33.00000  107.80000
   93    84    85    35.00000  109.50000
   93    84    86    35.00000  109.50000
   95    93    94    80.00000  126.00000
   75    67    70    58.35000  112.70000
   75    67    73    58.35000  112.70000
   75    87    88    55.00000  108.50000
   77    75    76    33.00000  107.80000
   87    75    76    35.00000  109.50000
   87    75    77    35.00000  109.50000
   50    37    42    63.00000  111.10000
   50    37    70    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    38    58.35000  112.70000
   39    54    55    70.00000  117.00000
   39    54    56    70.00000  117.00000
   41    39    40    45.00000  125.66300
   54    39    40    85.00000  109.63000
   54    39    41    35.00000  109.50000
   56    54    55    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
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   96    92   100   101   0.15000  1.0 3.0
   96    92   100   102   0.15000  1.0 3.0
   96    92   100   103   0.15000  1.0 3.0
  100    92    96    97   0.15000  1.0 3.0
  100    92    96    98   0.15000  1.0 3.0
  100    92    96    99   0.15000  1.0 3.0
   84    73    83    92   0.06250  1.0 1.0
   84    73    83    92  -0.01100 -1.0 2.0
   84    73    83    92   0.28050  1.0 3.0
   85    84    93    94   0.00000  1.0 1.0
   85    84    93    95   0.00000  1.0 1.0
   86    84    93    94   0.00000  1.0 1.0
   86    84    93    95   0.00000  1.0 1.0
   75    67    70    37   0.56750  1.0 1.0
   75    67    70    37  -0.07550 -1.0 2.0
   75    67    70    37   0.20000  1.0 3.0
   75    67    70    71   0.15000  1.0 3.0
   75    67    70    78   0.56750  1.0 1.0
   75    67    70    78  -0.07550 -1.0 2.0
   75    67    70    78   0.20000  1.0 3.0
   75    67    73    74   0.15000  1.0 3.0
   75    67    73    83   0.62750  1.0 1.0
   75    67    73    83  -0.30950 -1.0 2.0
   75    67    73    83   0.27300  1.0 3.0
   75    67    73    84   0.56750  1.0 1.0
   75    67    73    84  -0.07550 -1.0 2.0
   75    67    73    84   0.20000  1.0 3.0
   76    75    87    88   0.19450  1.0 3.0
   77    75    87    88   0.19450  1.0 3.0
   50    37    42    43   0.30150 -1.0 2.0
   50    37    42    57   0.60050  1.0 1.0
   50    37    42    57   0.05600 -1.0 2.0
   50    37    42    57   0.26150  1.0 3.0
   50    37    70    67   0.56750  1.0 1.0
   50    37    70    67  -0.07550 -1.0 2.0
   50    37    70    67   0.20000  1.0 3.0
   50    37    70    71   0.15000  1.0 3.0
   50    37    70    78   0.56750  1.0 1.0
   50    37    70    78  -0.07550 -1.0 2.0
   50    37    70    78   0.20000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    70   0.56750  1.0 1.0
   39    33    37    70  -0.07550 -1.0 2.0
   39    33    37    70   0.20000  1.0 3.0
   39    33    37    50   0.56750  1.0 1.0
   39    33    37    50  -0.07550 -1.0 2.0
   39    33    37    50   0.20000  1.0 3.0
   39    33    38    89   0.56750  1.0 1.0
   39    33    38    89  -0.07550 -1.0 2.0
   39    33    38    89   0.20000  1.0 3.0
   39    33    38    44   0.56750  1.0 1.0
   39    33    38    44  -0.07550 -1.0 2.0
   39    33    38    44   0.20000  1.0 3.0
   39    33    38    48   0.56750  1.0 1.0
   39    33    38    48  -0.07550 -1.0 2.0
   39    33    38    48   0.20000  1.0 3.0
   40    39    54    55   0.30150 -1.0 2.0
   40    39    54    56   0.30150 -1.0 2.0
   41    39    54    55   0.00000  1.0 1.0
   41    39    54    56   0.00000  1.0 1.0
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
   37    57    42    43  10.50000 -1.0 2.0
   65    81    60    48   4.00000 -1.0 2.0
   68    66    65    60   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   72    82    81    60   1.10000 -1.0 2.0
   94    84    93    95  10.50000 -1.0 2.0
   55    39    54    56  10.50000 -1.0 2.0
END
