* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    197    331     598
    1     0 S   NP   _N1_     1    28.79772    92.40628   -19.83972
    2     1 S   H    _HN1     2     1.02831    15.60332   175.17180
    3     1 S   H    _H1_     3     1.02771    97.70191   -52.52111
    4     1 S   H    _H2_     4     1.02947   100.19112    57.84899
    5     1 S   CT   _CA1     5     1.50208   126.19362  -177.51257
    6     5 S   HC   _HA1     6     1.09603   105.02443    56.79543
    7     5 S   CO3  _C1_     7     1.53753   112.61165   -62.60897
    8     7 S   O2Z  _O11     8     1.26331   115.02385   -36.91154
    9     7 S   O2Z  _O12     9     1.26250   114.91802   141.86277
   10     5 S   CT   _CB1    10     1.53111   107.28195   174.15175
   11    10 S   HC   HB11    11     1.09788   108.71911   -53.45499
   12    10 S   HC   HB12    12     1.09738   110.58151    62.81929
   13    10 S   CT   _CG1    13     1.52922   112.94449  -175.04433
   14    13 S   HC   HG11    14     1.09528   109.94570   -70.96418
   15    13 S   HC   HG12    15     1.09665   110.18389    47.90815
   16    13 S   C    _CD1    16     1.51927   112.67722   167.50927
   17    16 S   O    _OE1    17     1.22723   123.20896   -14.43130
   18    16 S   N    _N2_    18     1.38549   111.65170   167.68677
   19    18 S   H    _HN2    19     1.01609   118.70909    -3.02258
   20    18 S   CT1  _CA2    20     1.46346   123.81488   176.53270
   21    20 S   HC   _HA2    21     1.09741   109.21036   -21.82812
   22    20 S   C    _C2_    22     1.53532   107.50688  -137.09390
   23    22 S   O    _O2_    23     1.22990   122.48253  -144.11797
   24    20 S   CT   _CB2    32     1.53458   111.66356   101.01194
   25    24 S   HC   HB21    33     1.09508   109.27712    47.76759
   26    24 S   HC   HB22    34     1.09413   110.77390   166.53562
   27    22 S   N    _N3_    24     1.38582   113.19763    43.07996
   28    27 S   H    _HN3    25     1.01540   118.91787    -0.37639
   29    24 S   S    _SG2    35     1.82881   111.72404   -74.39965
   30    27 S   CT   _CA3    26     1.45439   123.41247   175.35270
   31    30 S   HC   HA31    27     1.09526   109.18491    25.25738
   32    30 S   HC   HA32    28     1.09495   107.12723   142.24645
   33    29 S   CT   _C18    36     1.87762   100.41212   154.31084
   34    33 S   HC   _H8_    37     1.09338   103.76626   -15.48346
   35    30 S   CO3  _C3_    29     1.52924   113.17503   -98.19196
   36    35 S   O2Z  _O31    30     1.26400   115.44091   -43.77956
   37    35 S   O2Z  _O32    31     1.26360   114.95715   137.17463
   38    33 S   CT   _C9_    38     1.58573   112.29771  -132.05494
   39    38 S   HC   _H5_    39     1.09345   107.29152   -93.87948
   40    33 S   CT   _C17    59     1.58793   109.09715    99.50114
   41    38 S   CT   _C8_    40     1.55606   114.97146    24.37860
   42    41 S   HC   _H4_    41     1.09256   111.42006   -62.25383
   43    40 S   CT   _C19    60     1.55707   111.67755    67.42698
   44    43 S   HC   _H15    61     1.09140   112.09790    69.17224
   45    43 S   HC   _H16    62     1.09364   110.90089   -51.48280
   46    40 S   OH   _O35    65     1.45279   107.47903   -47.24471
   47    46 S   HO   _H18    66     0.97172   108.16823   -58.51623
   48    41 S   CT   _C7_    42     1.55137   114.06469   169.34349
   49    43 S   OH   _O34    63     1.42503   112.67620  -169.64400
   50    49 S   HO   _H17    64     0.97182   107.18720  -179.75213
   51    41 S   OS   _O39    88     1.42947   105.73657    57.48358
   52    48 S   CT   _C6_    43     1.53180   111.32355    19.92136
   53    52 S   HC   _H12    44     1.09757   110.41475   176.87400
   54    52 S   HC   _H13    45     1.09808   109.85972    60.52733
   55    48 S   OS   _O40    89     1.44604   104.06683   -93.04749
   56    48 S   CM   _C28    94     1.52790   112.92396   147.37398
   57    52 S   CT   _C5_    46     1.55479   111.89014   -60.23029
   58    57 S   HC   _H3_    47     1.09306   104.61588   149.64435
   59    56 S   CM   _C29    95     1.34436   123.39287   111.84769
   60    59 S   HC   _H29    96     1.08514   121.45036   179.52399
   61    59 S   HC   _H30    97     1.08429   122.19064    -0.37534
   62    56 S   CT   _C30    98     1.50828   117.30160   -68.91133
   63    62 S   HC   _H31    99     1.09428   110.62662   -64.94218
   64    62 S   HC   _H32   100     1.09357   111.19160    55.77650
   65    62 S   HC   _H33   101     1.09569   112.02600   175.51764
   66    38 S   CT   _C10    48     1.58117   114.15804   146.19276
   67    57 S   CT   _C4_    90     1.53946   109.53559   -97.76147
   68    67 S   HC   _H9_    91     1.09270   113.00148    76.14517
   69    67 S   HC   _H10    92     1.09608   110.72105   -44.40265
   70    67 S   HC   _H11    93     1.09112   111.72009  -161.66560
   71    66 S   CT   _C11    49     1.55499   111.57966    34.55979
   72    71 S   HC   _H6_    50     1.10165   106.50562   -74.24629
   73    66 S   OS   _O38    75     1.46151   108.57302   -78.62749
   74    71 S   CM   _C12    51     1.50570   117.59134   173.37280
   75    74 S   HC   _H14    52     1.08339   121.79445    43.78499
   76    73 S   CO   _C21    76     1.43951   115.64689   -44.31337
   77    74 S   CM   _C13    53     1.33450   115.39880  -142.16333
   78    76 S   CA   _C22    77     1.51174   108.05512   176.09746
   79    77 S   CO4  _C14    54     1.47227   105.62620     1.76658
   80    79 S   O    _O33    55     1.22291   122.80944  -175.15491
   81    77 S   CT   _C20    71     1.47769   130.22489  -176.24428
   82    81 S   HC   _H21    72     1.09443   110.58620   119.62096
   83    81 S   HC   _H22    73     1.09476   111.40764    -0.40445
   84    81 S   HC   _H23    74     1.09442   110.46077  -120.34280
   85    78 S   CA   _C23    78     1.40670   119.46406   -63.19169
   86    85 S   HA   _H24    79     1.08764   120.08451     0.25564
   87    71 S   CT   _C15    56     1.54520   117.84629    47.63547
   88    85 S   CA   _C24    80     1.39542   120.95651  -179.46186
   89    88 S   HA   _H25    81     1.08605   120.02446   179.62413
   90    87 S   CT   _C16    57     1.53769   111.03090   -94.63712
   91    90 S   HC   _H7_    58     1.09867   108.36617   -53.48405
   92    87 S   OH   _O37    69     1.41595   114.77606    31.25196
   93    92 S   HO   _H20    70     0.97217   109.09815    69.29338
   94    88 S   CA   _C25    82     1.39190   119.93108    -0.24787
   95    94 S   HA   _H26    83     1.08597   120.12399   179.65226
   96    90 S   OH   _O36    67     1.43460   109.94282  -166.93039
   97    96 S   HO   _H19    68     0.97252   108.68679    53.77391
   98    94 S   CA   _C26    84     1.39291   119.87122    -0.15451
   99    98 S   HA   _H27    85     1.08640   119.94231   179.61896
  100    78 S   CA   _C27    86     1.40172   122.21255   116.73707
  101   100 S   HA   _H28    87     1.08695   120.93668     0.07662
  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
  22   8   2   1   1  22   9  17  16   7  10   5   4   6   1  20
   2   1   9  16   7   6  10   9  12   7   6   2   1   3   2   1
   1  16   5   2   1   1  15   8   6  11   4   7   9   9  11   4
   4   2   1   1   8   4   6   6   3   5   3   2   1   5   3   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    66    90    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    57    66    71    87    90    91    40    43    44    45    49    46    47    96    73    51  
   38    39    41    66    90    40    43    46  
   36    37  
   37  
    0  
   39    41    42    48    52    57    58    66    71    72    74    87    90    40    43    46    73    76    51    55    67    56  
   41    42    48    57    66    71    40    73    51  
   43    44    45    49    50    46    47    96    97    92    41    66    71    79    87    90    91  
   42    48    52    53    54    57    66    71    73    76    78    51    55    56    59    62  
   48    52    66    76    51    55    56  
   44    45    49    50    46    47    96    87    90    91  
   45    49    50    46    90  
   49    50    46    90  
   47    96    49    87    90    91  
   90  
   52    53    54    57    58    66    73    76    78    51    55    67    56    59    60    61    62    63    64    65  
   50    90  
    0  
   55    56    52    66    73    76    78    85   100  
   53    54    57    58    66    71    73    76    55    67    68    69    70    56    59    62  
   54    57    58    66    55    67    56  
   57    58    66    55    67    56  
   56    59    62    57    66    73    76    78    85   100  
   59    60    61    62    63    64    65    57    76  
   58    66    71    72    74    87    73    76    67    68    69    70  
   66    71    73    67    68    69    70  
   60    61    62    63    64    65  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   71    72    74    75    77    79    87    90    92    73    76    78    67    68    69    70  
   68    69    70    71    73  
   69    70  
   70  
    0  
   72    74    75    77    79    80    87    90    91    96    92    93    81    73    76  
   74    75    77    79    87    90    92    73  
   76    78    85   100    74    87  
   75    77    79    80    87    90    92    81    82    83    84  
   77    79    87    81  
   78    85    86    88    98   100   101  
   79    80    87    90    92    81    82    83    84  
   85    86    88    89    94    98    99   100   101  
   80    87    90    91    96    92    93    81    82    83    84  
   87    90    92    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    88    89    94    95    98   100   101  
   88    89    94   100  
   90    91    96    97    92    93  
   89    94    95    98    99   100  
   94    95    98  
   91    96    97    92    93  
   96    97    92  
   93    96  
    0  
   95    98    99   100   101  
   98    99   100  
   97  
    0  
   99   100   101  
  100   101  
  101  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    66   268.000  1.529
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    51   320.000  1.410
   48    52   268.000  1.529
   48    55   320.000  1.410
   48    56   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    67   268.000  1.529
   66    71   268.000  1.529
   66    73   320.000  1.410
   71    72   340.000  1.090
   71    74   317.000  1.510
   71    87   268.000  1.529
   74    75   340.000  1.080
   74    77   549.000  1.340
   77    79   320.000  1.462
   77    81   317.000  1.510
   79    80   570.000  1.229
   79    87   317.000  1.522
   87    90   268.000  1.529
   87    92   320.000  1.410
   90    91   340.000  1.090
   90    40   268.000  1.529
   90    96   320.000  1.410
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   46    47   553.000  0.945
   96    97   553.000  0.945
   92    93   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   73    76   320.000  1.380
   76    78   270.000  1.504
   76    51   320.000  1.380
   76    55   320.000  1.380
   78    85   469.000  1.400
   78   100   469.000  1.400
   85    86   367.000  1.080
   85    88   469.000  1.400
   88    89   367.000  1.080
   88    94   469.000  1.400
   94    95   367.000  1.080
   94    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    59   549.000  1.340
   56    62   317.000  1.510
   59    60   340.000  1.080
   59    61   340.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    66    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    41    51    50.00000  109.50000
   38    66    57    58.35000  112.70000
   38    66    71    58.35000  112.70000
   38    66    73    50.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    48    55    50.00000  109.50000
   41    48    56    70.00000  112.02700
   41    51    76    60.00000  109.50000
   48    41    42    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   48    55    76    60.00000  109.50000
   48    56    59    70.00000  124.00000
   48    56    62    65.00000  117.92700
   52    57    58    37.50000  110.70000
   52    57    66    58.35000  112.70000
   52    57    67    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    66    71    58.35000  112.70000
   57    66    73    50.00000  109.50000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    38    41    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    74    70.00000  112.02700
   66    71    87    58.35000  112.70000
   66    73    76    60.00000  109.50000
   71    74    75    35.00000  117.00000
   71    74    77    70.00000  124.00000
   71    87    79    63.00000  111.10000
   71    87    90    58.35000  112.70000
   71    87    92    50.00000  109.50000
   74    71    72    35.00000  109.50000
   74    77    79    65.00000  118.96000
   74    77    81    70.00000  124.00000
   77    74    75    35.00000  120.00000
   77    79    80    80.00000  123.72100
   77    79    87    65.00000  118.62400
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    90    63.00000  111.10000
   79    87    92    90.00000  109.61100
   87    71    72    37.50000  110.70000
   87    71    74    70.00000  112.02700
   87    79    80    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90    40    58.35000  112.70000
   87    90    96    50.00000  109.50000
   87    92    93    55.00000  108.50000
   90    40    43    58.35000  112.70000
   90    40    46    50.00000  109.50000
   90    96    97    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    90    91    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    49    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   96    90    91    35.00000  109.50000
   96    90    40    50.00000  109.50000
   92    87    90    50.00000  109.50000
   81    77    79    65.00000  116.34900
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   73    66    71    50.00000  109.50000
   73    76    78    90.00000  107.97000
   73    76    51    92.60000  111.55000
   73    76    55    92.60000  111.55000
   76    78    85    60.00000  120.68000
   76    78   100    60.00000  120.68000
   78    85    86    35.00000  120.00000
   78    85    88    63.00000  120.00000
   78   100    98    63.00000  120.00000
   78   100   101    35.00000  120.00000
   85    88    89    35.00000  120.00000
   85    88    94    63.00000  120.00000
   88    85    86    35.00000  120.00000
   88    94    95    35.00000  120.00000
   88    94    98    63.00000  120.00000
   94    88    89    35.00000  120.00000
   94    98    99    35.00000  120.00000
   94    98   100    63.00000  120.00000
   98    94    95    35.00000  120.00000
   98   100   101    35.00000  120.00000
  100    78    85    63.00000  120.00000
  100    98    99    35.00000  120.00000
   51    41    42    35.00000  109.50000
   51    41    48    50.00000  109.50000
   51    76    78    90.00000  107.97000
   55    48    52    50.00000  109.50000
   55    76    78    90.00000  107.97000
   55    76    51    92.60000  111.55000
   67    57    58    37.50000  110.70000
   67    57    66    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    52    70.00000  112.02700
   56    48    55    85.00000  110.90400
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   61    59    60    35.00000  117.00000
   62    56    59    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
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   76    78   100    98   3.62500 -1.0 2.0
   76    78   100   101   3.62500 -1.0 2.0
   78    76    51    41  -0.46050  1.0 1.0
   78    76    51    41  -0.83350 -1.0 2.0
   78    76    51    41   0.35650  1.0 3.0
   78    76    55    48  -0.46050  1.0 1.0
   78    76    55    48  -0.83350 -1.0 2.0
   78    76    55    48   0.35650  1.0 3.0
   78    85    88    89   3.62500 -1.0 2.0
   78    85    88    94   3.62500 -1.0 2.0
   85    78   100    98   3.62500 -1.0 2.0
   85    78   100   101   3.62500 -1.0 2.0
   85    88    94    95   3.62500 -1.0 2.0
   85    88   -94    98   3.62500 -1.0 2.0
   86    85    88    89   3.62500 -1.0 2.0
   86    85    88    94   3.62500 -1.0 2.0
   88    94    98    99   3.62500 -1.0 2.0
   88    94    98   100   3.62500 -1.0 2.0
   89    88    94    95   3.62500 -1.0 2.0
   89    88    94    98   3.62500 -1.0 2.0
   94    98  -100    78   3.62500 -1.0 2.0
   94    98   100   101   3.62500 -1.0 2.0
   95    94    98    99   3.62500 -1.0 2.0
   95    94    98   100   3.62500 -1.0 2.0
   99    98   100    78   3.62500 -1.0 2.0
   99    98   100   101   3.62500 -1.0 2.0
  100    78    85    86   3.62500 -1.0 2.0
  100    78   -85    88   3.62500 -1.0 2.0
   51    41    48    52   0.62750  1.0 1.0
   51    41    48    52  -0.30950 -1.0 2.0
   51    41    48    52   0.27300  1.0 3.0
   51    41   -48    55   1.11900  1.0 1.0
   51    41   -48    55  -1.16350 -1.0 2.0
   51    41   -48    55  -0.34150  1.0 3.0
   51    41    48    56   0.61850  1.0 1.0
   51    41    48    56  -0.22750 -1.0 2.0
   51    41    48    56   0.15300  1.0 3.0
   51    76    78    85   0.64500  1.0 1.0
   51    76    78    85   0.14800 -1.0 2.0
   51    76    78    85   0.20650  1.0 3.0
   51    76    78   100   0.64500  1.0 1.0
   51    76    78   100   0.14800 -1.0 2.0
   51    76    78   100   0.20650  1.0 3.0
   51    76   -55    48  -0.53350  1.0 1.0
   51    76   -55    48  -0.78350 -1.0 2.0
   51    76   -55    48   0.33750  1.0 3.0
   55    48    52    53   0.23400  1.0 3.0
   55    48    52    54   0.23400  1.0 3.0
   55    48    52    57   0.62750  1.0 1.0
   55    48    52    57  -0.30950 -1.0 2.0
   55    48    52    57   0.27300  1.0 3.0
   55    48    56    59   0.39000  1.0 1.0
   55    48    56    59  -0.05800 -1.0 2.0
   55    48    56    59  -0.55150  1.0 3.0
   55    48    56    62   0.09700  1.0 1.0
   55    48    56    62   0.15600 -1.0 2.0
   55    48    56    62  -0.50800  1.0 3.0
   55    76    78    85   0.64500  1.0 1.0
   55    76    78    85   0.14800 -1.0 2.0
   55    76    78    85   0.20650  1.0 3.0
   55    76    78   100   0.64500  1.0 1.0
   55    76    78   100   0.14800 -1.0 2.0
   55    76    78   100   0.20650  1.0 3.0
   55    76   -51    41  -0.53350  1.0 1.0
   55    76   -51    41  -0.78350 -1.0 2.0
   55    76   -51    41   0.33750  1.0 3.0
   67    57    66    38   0.56750  1.0 1.0
   67    57    66    38  -0.07550 -1.0 2.0
   67    57    66    38   0.20000  1.0 3.0
   67    57    66    71   0.56750  1.0 1.0
   67    57    66    71  -0.07550 -1.0 2.0
   67    57    66    71   0.20000  1.0 3.0
   67    57    66    73   0.62750  1.0 1.0
   67    57    66    73  -0.30950 -1.0 2.0
   67    57    66    73   0.27300  1.0 3.0
   56    48    52    53   0.15000  1.0 3.0
   56    48    52    54   0.15000  1.0 3.0
   56    48    52    57   0.34400  1.0 1.0
   56    48    52    57   0.09450 -1.0 2.0
   56    48    52    57   0.11100  1.0 3.0
   56    48    55    76  -0.77900  1.0 1.0
   56    48    55    76  -0.36900 -1.0 2.0
   56    48    55    76   0.40400  1.0 3.0
   59    56    62    63   0.00000  1.0 1.0
   59    56    62    64   0.00000  1.0 1.0
   59    56    62    65   0.00000  1.0 1.0
   62    56    59    60   7.00000 -1.0 2.0
   62    56    59    61   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   71    75    74    77   1.10000 -1.0 2.0
   79    81    77    74   1.10000 -1.0 2.0
   77    87    79    80  10.50000 -1.0 2.0
   85   100    78    76   4.00000 -1.0 2.0
   88    86    85    78   1.10000 -1.0 2.0
   94    89    88    85   1.10000 -1.0 2.0
   98    95    94    88   1.10000 -1.0 2.0
  100    99    98    94   1.10000 -1.0 2.0
   98   101   100    78   1.10000 -1.0 2.0
   48    62    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
