* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    224    357     661
    1     0 S   NP   _N1_     1    28.81856    95.83549   -20.21001
    2     1 S   H    _HN1     2     1.02788    86.65557   -97.04736
    3     1 S   H    _H1_     3     1.02864    83.54684    11.71060
    4     1 S   H    _H2_     4     1.02953    39.35280   139.34998
    5     1 S   CT   _CA1     5     1.50550   149.29411   133.25026
    6     5 S   HC   _HA1     6     1.09701   104.60769    67.33413
    7     5 S   CO3  _C1_     7     1.54344   110.69774   -48.47001
    8     7 S   O2Z  _O11     8     1.25980   116.70466  -115.22864
    9     7 S   O2Z  _O12     9     1.26598   113.65487    63.30695
   10     5 S   CT   _CB1    10     1.53092   106.94166  -176.75303
   11    10 S   HC   HB11    11     1.09839   109.76576   -43.17739
   12    10 S   HC   HB12    12     1.09774   110.36361    73.48242
   13    10 S   CT   _CG1    13     1.53009   112.37956  -163.75476
   14    13 S   HC   HG11    14     1.09504   110.79913   -60.28389
   15    13 S   HC   HG12    15     1.09600   109.71767    58.96199
   16    13 S   C    _CD1    16     1.51770   112.22127   178.78244
   17    16 S   O    _OE1    17     1.22745   123.19934    -3.48082
   18    16 S   N    _N2_    18     1.38647   111.77593   176.77566
   19    18 S   H    _HN2    19     1.01591   119.03586     1.27503
   20    18 S   CT1  _CA2    20     1.46328   123.21739  -178.00394
   21    20 S   HC   _HA2    21     1.09725   109.38114   -11.00620
   22    20 S   C    _C2_    22     1.53290   108.03190  -126.78793
   23    22 S   O    _O2_    23     1.22996   122.33888  -143.24520
   24    20 S   CT   _CB2    32     1.53477   111.61584   110.93261
   25    24 S   HC   HB21    33     1.09573   109.45712    59.28535
   26    24 S   HC   HB22    34     1.09509   110.64266   178.00639
   27    22 S   N    _N3_    24     1.38536   113.25870    43.91640
   28    27 S   H    _HN3    25     1.01517   118.95382    -0.37846
   29    24 S   S    _SG2    35     1.82702   111.52260   -61.72903
   30    27 S   CT   _CA3    26     1.45374   123.21088   175.33406
   31    30 S   HC   HA31    27     1.09539   108.89116    31.69700
   32    30 S   HC   HA32    28     1.09466   107.14396   148.67562
   33    29 S   CT   _C31    36     1.83084    99.55482   162.53749
   34    33 S   HC   _H9_    37     1.09351   108.44675   -36.58044
   35    30 S   CO3  _C3_    29     1.52914   113.36517   -91.71451
   36    35 S   O2Z  _O31    30     1.26390   115.46734   -43.42787
   37    35 S   O2Z  _O32    31     1.26367   114.93236   137.58571
   38    33 S   CT   _C32    38     1.54149   113.77757    83.10390
   39    38 S   HC   _H10    39     1.09586   109.88224   -89.18750
   40    38 S   CO4  _C33    40     1.51075   101.09813   155.78039
   41    40 S   O    _O38    41     1.22611   123.48378   161.47037
   42    38 S   CT   _C34   114     1.52493   117.63894    37.87866
   43    42 S   HC   _H40   115     1.09543   111.88483    50.68762
   44    42 S   HC   _H41   116     1.09420   111.45892   -71.07262
   45    42 S   HC   _H42   117     1.09604   110.55423   169.84309
   46    40 S   CT   _C23    42     1.51531   112.98829   -20.34277
   47    46 S   HC   _H5_    43     1.09585   106.62143   117.37128
   48    46 S   CT   _C22    44     1.54188   110.31039  -121.14624
   49    48 S   HC   _H31    45     1.09957   107.70204    29.71024
   50    48 S   HC   _H32    46     1.09781   108.55872   -83.89808
   51    33 S   CT   _C24    60     1.54941   111.89090  -157.59282
   52    51 S   HC   _H6_    61     1.10133   105.80429   -44.67012
   53    48 S   CM   _C21    47     1.52212   118.81931   151.44533
   54    53 S   CM   _C20    48     1.34825   125.43157    19.39898
   55    54 S   HC   _H30    49     1.08841   118.71306  -178.22238
   56    53 S   CT   _C35   109     1.50930   114.81816  -158.66117
   57    56 S   HC   _H43   110     1.09509   112.24135   178.97913
   58    56 S   HC   _H44   111     1.09521   110.19464    58.46631
   59    54 S   CT   _C19    50     1.50798   124.87946     6.94763
   60    59 S   HC   _H4_    51     1.09302   104.05912    47.42735
   61    56 S   OH   _O39   112     1.42111   109.29093   -61.11156
   62    61 S   HO   _H45   113     0.97223   107.01641   179.01444
   63    59 S   C3T  _C15    52     1.51487   113.49708   164.76694
   64    63 S   HC   _H3_    53     1.08731   111.31683    50.99970
   65    63 S   C3T  _C14    54     1.51420   115.39060  -173.69914
   66    65 S   CT   _C27    55     1.52388   114.60339    -2.69537
   67    66 S   HC   _H8_    56     1.09708   107.51274  -165.41944
   68    63 S   C3T  _C16    75     1.51577   125.58489  -101.61085
   69    65 S   OS   _O34    84     1.45491   114.71753  -134.78634
   70    66 S   CT   _C26    57     1.57037   112.42934   -44.56775
   71    70 S   HC   _H7_    58     1.09583   105.48543   155.46188
   72    66 S   OS   _O35    68     1.44488   110.93581    78.36285
   73    68 S   CT   _C17    76     1.50903   121.96790     8.36779
   74    73 S   HC   _H24    77     1.09525   109.76315  -140.07128
   75    73 S   HC   _H25    78     1.09611   110.26460   101.63464
   76    73 S   HC   _H26    79     1.08986   114.98396   -17.82040
   77    68 S   CT   _C18    80     1.51824   115.62239   148.87785
   78    77 S   HC   _H27    81     1.09485   110.27054   153.26242
   79    77 S   HC   _H28    82     1.09496   112.67972    32.32938
   80    77 S   HC   _H29    83     1.09544   110.24034   -87.24314
   81    69 S   CO4  _C13    85     1.36122   117.33558  -146.15315
   82    81 S   O    _O33    86     1.22103   127.23786     0.33220
   83    59 S   CT   _C25    59     1.56917   115.58192   -69.87223
   84    70 S   CT   _C30    64     1.53649   107.79866   -90.26804
   85    84 S   HC   _H36    65     1.09380   111.69657    63.56606
   86    84 S   HC   _H37    66     1.09530   110.35705   -56.56034
   87    84 S   HC   _H38    67     1.08781   112.26494  -175.19556
   88    72 S   CO4  _C28    69     1.36219   117.85470   153.34140
   89    88 S   O    _O36    70     1.22301   126.46623     0.59149
   90    81 S   CM   _C12    87     1.47238   109.17185   176.94828
   91    90 S   HC   _H23    88     1.08456   116.04026  -106.24544
   92    83 S   OH   _O37    62     1.43935   107.68246   -72.48661
   93    92 S   HO   _H39    63     0.97205   108.47108    59.30839
   94    88 S   CT   _C29    71     1.49816   109.37283  -179.91377
   95    94 S   HC   _H33    72     1.09298   109.76497   -61.78893
   96    94 S   HC   _H34    73     1.09371   109.38103   179.08807
   97    94 S   HC   _H35    74     1.09295   109.83105    60.05826
   98    90 S   CM   _C11    89     1.34035   123.46420    74.57219
   99    98 S   HC   _H22    90     1.08876   117.24577  -178.91899
  100    98 S   CM   _C10    91     1.44644   126.47160     1.42368
  101   100 S   HC   _H21    92     1.08591   117.30574     6.11606
  102   100 S   CM   _C9_    93     1.34182   123.17679  -173.68323
  103   102 S   HC   _H20    94     1.08774   120.00540    -0.13988
  104   102 S   CM   _C8_    95     1.44610   122.79865   178.56673
  105   104 S   HC   _H19    96     1.08705   117.30910     0.54644
  106   104 S   CM   _C7_    97     1.34115   123.28013  -178.87848
  107   106 S   HC   _H18    98     1.08785   119.98864    -0.40830
  108   106 S   CT   _C6_    99     1.50199   123.57094   178.48573
  109   108 S   HC   _H16   100     1.09654   108.34812  -124.77034
  110   108 S   HC   _H17   101     1.09701   110.78598    -8.06670
  111   108 S   CT   _C5_   102     1.52830   111.22947   114.27645
  112   111 S   HC   _H14   103     1.09682   110.16776    57.93140
  113   111 S   HC   _H15   104     1.09687   109.94342   -59.80160
  114   111 S   CT   _C4_   105     1.52058   111.49980   179.15628
  115   114 S   HC   _H11   106     1.09466   111.07772    58.88703
  116   114 S   HC   _H12   107     1.09419   110.95289   -61.71417
  117   114 S   HC   _H13   108     1.09449   110.24497   178.69824
  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  10   5   4   3
  18   8   2   1   1  13   8  14   5   5   2   1   1  13   7  13
   5   4  13   4  11  14   5   5   3   2  15   7   1   1  19   7
  21  18   8  13   9  10   7   8   7   3   2   1   3   2   1   1
   6   3   6   4   2   1   1   5   4   6   3   1   1   3   2   1
   1   6   3   6   3   6   3   7   3   8   4   9   5   4   6   5
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    83    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    59    70    83    51    52    92    42    43    44    45  
   38    39    40    46    83    51    52    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    83    51    52    42    43    44    45  
   40    41    46    51    42    43    44    45  
   41    46    47    48    49    50    53    83    51    52    42    43    44    45  
   46    47    48    51    42  
   43    44    45    46    51  
   44    45  
   45  
    0  
   47    48    49    50    53    54    59    70    83    51    52    92    56  
   48    49    50    53    83    51    52  
   49    50    53    54    55    59    83    51    52    56    57    58    61  
   50    53    54    51    56  
   53    54    51    56  
   52    92    93    84    53    54    59    60    63    66    70    71    83  
   92    59    70    83  
   54    55    59    60    63    83    56    57    58    61    62  
   55    59    60    63    64    65    70    83    92    68    56    57    58    61  
   59    60    63    83    56  
   57    58    61    62    59  
   58    61    62  
   61    62  
   60    63    64    65    66    70    71    83    92    93    84    68    73    77    69  
   63    64    65    70    83    92    68  
   62  
    0  
   64    65    66    67    70    83    92    72    68    73    74    75    76    77    78    79    80    69    81  
   65    66    83    68    73    77    69  
   66    67    70    71    83    84    72    88    68    73    74    75    76    77    78    79    80    69    81    82    90  
   67    70    71    83    92    84    85    86    87    72    88    89    94    68    73    77    69    81  
   70    71    83    84    72    88    68    69  
   73    74    75    76    77    78    79    80    69    81    70    72    83  
   81    82    90    91    98    70    72    73    77  
   71    83    92    93    84    85    86    87    72    88  
   83    92    84    85    86    87    72  
   88    89    94    95    96    97    83    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    90    91    98    99   100  
   90    91    98  
   92    93    84    85    86    87  
   85    86    87    92  
   86    87  
   87  
    0  
   89    94    95    96    97  
   94    95    96    97  
   91    98    99   100   101   102  
   98    99   100  
   93  
    0  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104  
  100   101   102  
  101   102   103   104   105   106  
  102   103   104  
  103   104   105   106   107   108  
  104   105   106  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108   109   110   111   112   113   114  
  108   109   110   111  
  109   110   111   112   113   114   115   116   117  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114   115   116   117  
  113   114   115   116   117  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  107   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   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   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    63   275.000  1.510
   59    83   268.000  1.529
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    68   260.000  1.509
   65    66   275.000  1.510
   65    68   260.000  1.509
   65    69   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    83   268.000  1.529
   70    84   268.000  1.529
   83    51   268.000  1.529
   83    92   320.000  1.410
   51    52   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   72    88   214.000  1.327
   88    89   570.000  1.229
   88    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   68    73   275.000  1.510
   68    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    81   214.000  1.327
   81    82   570.000  1.229
   81    90   320.000  1.462
   90    91   340.000  1.080
   90    98   549.000  1.340
   98    99   340.000  1.080
   98   100   380.000  1.444
  100   101   340.000  1.080
  100   102   549.000  1.340
  102   103   340.000  1.080
  102   104   380.000  1.444
  104   105   340.000  1.080
  104   106   549.000  1.340
  106   107   340.000  1.080
  106   108   317.000  1.510
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    62   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    51    46    58.35000  112.70000
   33    51    83    58.35000  112.70000
   33    51    52    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    48    63.00000  111.10000
   40    46    51    63.00000  111.10000
   46    40    41    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    53    70.00000  112.02700
   46    51    83    58.35000  112.70000
   46    51    52    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    53    54    70.00000  124.00000
   48    53    56    65.00000  117.92700
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    90.00000  110.39200
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    83    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    63    64    40.00000  115.04500
   59    63    65    60.00000  120.94000
   59    63    68    60.00000  120.94000
   59    83    70    58.35000  112.70000
   59    83    51    58.35000  112.70000
   59    83    92    50.00000  109.50000
   63    59    60    45.00000  109.38400
   63    65    66    60.00000  120.94000
   63    65    68    10.00000   60.00500
   63    65    69    50.00000  109.50000
   63    68    65    10.00000   60.00500
   63    68    73    60.00000  120.94000
   63    68    77    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    66    67    45.00000  109.38400
   65    66    70    70.00000  112.37300
   65    66    72    50.00000  109.50000
   65    68    73    60.00000  120.94000
   65    68    77    60.00000  120.94000
   65    69    81    83.00000  116.90000
   66    70    71    37.50000  110.70000
   66    70    83    58.35000  112.70000
   66    70    84    58.35000  112.70000
   66    72    88    83.00000  116.90000
   70    66    67    37.50000  110.70000
   70    83    51    58.35000  112.70000
   70    83    92    50.00000  109.50000
   70    84    85    37.50000  110.70000
   70    84    86    37.50000  110.70000
   70    84    87    37.50000  110.70000
   83    59    60    37.50000  110.70000
   83    59    63    70.00000  112.37300
   83    70    71    37.50000  110.70000
   83    51    52    37.50000  110.70000
   83    92    93    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   92    83    51    50.00000  109.50000
   84    70    71    37.50000  110.70000
   84    70    83    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   72    88    89    83.00000  123.40000
   72    88    94    81.00000  111.40000
   88    94    95    35.00000  109.50000
   88    94    96    35.00000  109.50000
   88    94    97    35.00000  109.50000
   94    88    89    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   68    63    64    37.50000  117.20000
   68    63    65    10.00000   60.00500
   68    65    66    60.00000  120.94000
   68    73    74    45.00000  109.38400
   68    73    75    45.00000  109.38400
   68    73    76    45.00000  109.38400
   68    77    78    45.00000  109.38400
   68    77    79    45.00000  109.38400
   68    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    65    66    50.00000  109.50000
   69    65    68    50.00000  109.50000
   69    81    82    83.00000  123.40000
   69    81    90    90.00000  111.29400
   81    90    91    40.00000  117.72500
   81    90    98    65.00000  118.96000
   90    81    82    80.00000  123.72100
   90    98    99    35.00000  120.00000
   90    98   100    70.00000  123.01800
   98    90    91    35.00000  120.00000
   98   100   101    35.00000  120.00000
   98   100   102    70.00000  123.01800
  100    98    99    35.00000  120.00000
  100   102   103    35.00000  120.00000
  100   102   104    70.00000  123.01800
  102   100   101    35.00000  120.00000
  102   104   105    35.00000  120.00000
  102   104   106    70.00000  123.01800
  104   102   103    35.00000  120.00000
  104   106   107    35.00000  120.00000
  104   106   108    70.00000  124.00000
  106   104   105    35.00000  120.00000
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    70.00000  112.02700
  108   106   107    35.00000  117.00000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111   114   115    37.50000  110.70000
  111   114   116    37.50000  110.70000
  111   114   117    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    37.50000  110.70000
  114   111   113    37.50000  110.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    62    55.00000  108.50000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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
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   70    83    51    46   0.20000  1.0 3.0
   70    83    51    52   0.15000  1.0 3.0
   70    83    92    93  -0.11600  1.0 1.0
   70    83    92    93  -0.09450 -1.0 2.0
   70    83    92    93   0.21250  1.0 3.0
   71    70    83    59   0.15000  1.0 3.0
   71    70    83    51   0.15000  1.0 3.0
   71    70    83    92   0.23400  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    86   0.15000  1.0 3.0
   71    70    84    87   0.15000  1.0 3.0
   83    59    63    64   0.15000  1.0 3.0
   83    59   -63    65   0.07850  1.0 1.0
   83    59   -63    65  -0.03950 -1.0 2.0
   83    59   -63    65   0.67350  1.0 3.0
   83    59    63    68   0.07850  1.0 1.0
   83    59    63    68  -0.03950 -1.0 2.0
   83    59    63    68   0.67350  1.0 3.0
   83    70    84    85   0.15000  1.0 3.0
   83    70    84    86   0.15000  1.0 3.0
   83    70    84    87   0.15000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.95700  1.0 1.0
   51    33   -38    40  -0.18200 -1.0 2.0
   51    33   -38    40   0.29450  1.0 3.0
   51    33    38    42   0.56750  1.0 1.0
   51    33    38    42  -0.07550 -1.0 2.0
   51    33    38    42   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    53   0.34400  1.0 1.0
   51    46    48    53   0.09450 -1.0 2.0
   51    46    48    53   0.11100  1.0 3.0
   51    83    92    93  -0.11600  1.0 1.0
   51    83    92    93  -0.09450 -1.0 2.0
   51    83    92    93   0.21250  1.0 3.0
   92    83    51    33   0.86500  1.0 1.0
   92    83    51    33  -0.17500 -1.0 2.0
   92    83    51    33   0.20800  1.0 3.0
   92    83    51    46   0.86500  1.0 1.0
   92    83    51    46  -0.17500 -1.0 2.0
   92    83    51    46   0.20800  1.0 3.0
   92    83    51    52   0.23400  1.0 3.0
   84    70    83    59   0.56750  1.0 1.0
   84    70    83    59  -0.07550 -1.0 2.0
   84    70    83    59   0.20000  1.0 3.0
   84    70    83    51   0.56750  1.0 1.0
   84    70    83    51  -0.07550 -1.0 2.0
   84    70    83    51   0.20000  1.0 3.0
   84    70    83    92   0.86500  1.0 1.0
   84    70    83    92  -0.17500 -1.0 2.0
   84    70    83    92   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    83   0.62750  1.0 1.0
   72    66    70    83  -0.30950 -1.0 2.0
   72    66    70    83   0.27300  1.0 3.0
   72    66    70    84   0.62750  1.0 1.0
   72    66    70    84  -0.30950 -1.0 2.0
   72    66    70    84   0.27300  1.0 3.0
   72    88    94    95   0.00000  1.0 1.0
   72    88    94    96   0.00000  1.0 1.0
   72    88    94    97   0.00000  1.0 1.0
   89    88    94    95   0.00000  1.0 1.0
   89    88    94    96   0.00000  1.0 1.0
   89    88    94    97   0.00000  1.0 1.0
   68    63   -65    66   0.07850  1.0 1.0
   68    63   -65    66  -0.03950 -1.0 2.0
   68    63   -65    66   0.67350  1.0 3.0
   68    63   -65    69  -0.26800  1.0 1.0
   68    63   -65    69   0.69150 -1.0 2.0
   68    63   -65    69  -0.48750  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    70   0.07850  1.0 1.0
   68    65    66    70  -0.03950 -1.0 2.0
   68    65    66    70   0.67350  1.0 3.0
   68    65    66    72  -0.26800  1.0 1.0
   68    65    66    72   0.69150 -1.0 2.0
   68    65    66    72  -0.48750  1.0 3.0
   68    65    69    81  -0.25900  1.0 1.0
   68    65    69    81  -0.47000 -1.0 2.0
   68    65    69    81   0.11750  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   69    65    66    67   0.23400  1.0 3.0
   69    65    66    70   0.62750  1.0 1.0
   69    65    66    70  -0.30950 -1.0 2.0
   69    65    66    70   0.27300  1.0 3.0
   69    65    66    72   1.11900  1.0 1.0
   69    65    66    72  -1.16350 -1.0 2.0
   69    65    66    72  -0.34150  1.0 3.0
   69    65   -68    63  -0.26800  1.0 1.0
   69    65   -68    63   0.69150 -1.0 2.0
   69    65   -68    63  -0.48750  1.0 3.0
   69    65    68    73   0.62750  1.0 1.0
   69    65    68    73  -0.30950 -1.0 2.0
   69    65    68    73   0.27300  1.0 3.0
   69    65    68    77   0.62750  1.0 1.0
   69    65    68    77  -0.30950 -1.0 2.0
   69    65    68    77   0.27300  1.0 3.0
   69    81    90    91   1.63100 -1.0 2.0
   69    81    90    98  -0.56150  1.0 1.0
   69    81    90    98   2.19150 -1.0 2.0
   81    90    98    99   7.00000 -1.0 2.0
   81    90    98   100   7.00000 -1.0 2.0
   82    81    90    91   0.00000  1.0 1.0
   82    81    90    98   1.00000 -1.0 2.0
   90    98   100   101  -0.18600  1.0 3.0
   90    98   100   102   0.28850  1.0 1.0
   90    98   100   102   2.61350 -1.0 2.0
   90    98   100   102   0.78400  1.0 3.0
   91    90    98    99   7.00000 -1.0 2.0
   91    90    98   100   7.00000 -1.0 2.0
   98   100   102   103   7.00000 -1.0 2.0
   98   100   102   104   7.00000 -1.0 2.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102  -0.18600  1.0 3.0
  100   102   104   105  -0.18600  1.0 3.0
  100   102   104   106   0.28850  1.0 1.0
  100   102   104   106   2.61350 -1.0 2.0
  100   102   104   106   0.78400  1.0 3.0
  101   100   102   103   7.00000 -1.0 2.0
  101   100   102   104   7.00000 -1.0 2.0
  102   104   106   107   7.00000 -1.0 2.0
  102   104   106   108   7.00000 -1.0 2.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106  -0.18600  1.0 3.0
  104   106   108   109   0.00000  1.0 1.0
  104   106   108   110   0.00000  1.0 1.0
  104   106   108   111   0.09850  1.0 1.0
  104   106   108   111   0.15250 -1.0 2.0
  104   106   108   111  -0.50650  1.0 3.0
  105   104   106   107   7.00000 -1.0 2.0
  105   104   106   108   7.00000 -1.0 2.0
  106   108   111   112   0.15000  1.0 3.0
  106   108   111   113   0.15000  1.0 3.0
  106   108   111   114   0.34400  1.0 1.0
  106   108   111   114   0.09450 -1.0 2.0
  106   108   111   114   0.11100  1.0 3.0
  107   106   108   109   0.33100  1.0 3.0
  107   106   108   110   0.33100  1.0 3.0
  107   106   108   111   0.00000  1.0 1.0
  108   111   114   115   0.15000  1.0 3.0
  108   111   114   116   0.15000  1.0 3.0
  108   111   114   117   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
  112   111   114   115   0.15000  1.0 3.0
  112   111   114   116   0.15000  1.0 3.0
  112   111   114   117   0.15000  1.0 3.0
  113   111   114   115   0.15000  1.0 3.0
  113   111   114   116   0.15000  1.0 3.0
  113   111   114   117   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62   0.19450  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   48    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   72    94    88    89  10.50000 -1.0 2.0
   69    90    81    82  10.50000 -1.0 2.0
   81    91    90    98  15.00000 -1.0 2.0
  100    99    98    90  15.00000 -1.0 2.0
   98   101   100   102  15.00000 -1.0 2.0
  104   103   102   100  15.00000 -1.0 2.0
  102   105   104   106  15.00000 -1.0 2.0
  108   107   106   104  15.00000 -1.0 2.0
END
