* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    202    330     604
    1     0 S   NP   _N1_     1    28.03675    93.97421   -20.16396
    2     1 S   H    _HN1     2     1.02836    35.09488   116.77668
    3     1 S   H    _H1_     3     1.02777    82.32838  -106.29061
    4     1 S   H    _H2_     4     1.02957    93.55223     1.73573
    5     1 S   CT   _CA1     5     1.50130   144.75268   135.62824
    6     5 S   HC   _HA1     6     1.09571   105.24093    47.82485
    7     5 S   CO3  _C1_     7     1.53828   112.24031   -72.40870
    8     7 S   O2Z  _O11     8     1.26359   114.99749   -45.79958
    9     7 S   O2Z  _O12     9     1.26221   114.93746   133.19940
   10     5 S   CT   _CB1    10     1.53084   107.40822   165.74847
   11    10 S   HC   HB11    11     1.09819   109.45641   -49.84507
   12    10 S   HC   HB12    12     1.09818   110.40692    66.75386
   13    10 S   CT   _CG1    13     1.52976   112.58295  -170.90776
   14    13 S   HC   HG11    14     1.09526   110.42886   -60.58653
   15    13 S   HC   HG12    15     1.09640   110.05675    58.44211
   16    13 S   C    _CD1    16     1.51840   112.24085   178.57536
   17    16 S   O    _OE1    17     1.22749   123.22951   -10.18360
   18    16 S   N    _N2_    18     1.38437   111.68574   170.42059
   19    18 S   H    _HN2    19     1.01588   119.01517     3.75103
   20    18 S   CT1  _CA2    20     1.45897   123.29425   177.81824
   21    20 S   HC   _HA2    21     1.09739   109.18180    16.97755
   22    20 S   C    _C2_    22     1.52923   107.08956   -99.78938
   23    22 S   O    _O2_    23     1.22963   123.15232   -24.01575
   24    20 S   CT   _CB2    32     1.53487   111.77831   140.13249
   25    24 S   HC   HB21    33     1.09347   108.80352    51.32411
   26    24 S   HC   HB22    34     1.09254   109.61671   170.19877
   27    22 S   N    _N3_    24     1.38533   112.47564   158.44765
   28    27 S   H    _HN3    25     1.01651   120.32984    -2.09153
   29    24 S   S    _SG2    35     1.82872   109.81086   -69.29958
   30    27 S   CT   _CA3    26     1.45334   122.51884   178.46622
   31    30 S   HC   HA31    27     1.09567   107.83062   -55.00549
   32    30 S   HC   HA32    28     1.09559   107.60165    61.34038
   33    29 S   CT   _C15    36     1.95451   105.99304  -179.61184
   34    30 S   CO3  _C3_    29     1.52891   114.30150  -176.94944
   35    34 S   O2Z  _O31    30     1.26340   116.07840    -1.12917
   36    34 S   O2Z  _O32    31     1.26440   114.40806   178.86789
   37    33 S   CT   _C16    37     1.57957   109.11060   -19.10217
   38    37 S   OM   _O38    38     1.32112   110.70122   -76.58338
   39    37 S   HC   _H4_    39     1.09741   106.89170    52.62857
   40    33 S   CT   _C14    69     1.69004   107.37185  -145.26073
   41    37 S   CO4  _C17    40     1.53298   115.31809   161.50809
   42    41 S   O    _O35    41     1.22955   124.79196   146.71042
   43    40 S   CT   _C23    70     1.56167   111.78315   171.10183
   44    43 S   HC   _H16    71     1.08817   113.05364   -42.76196
   45    43 S   HC   _H17    72     1.09282   112.92145  -159.57324
   46    43 S   HC   _H18    73     1.08674   113.84577    81.73484
   47    41 S   OS   _O36    42     1.35500   114.77026   -43.29752
   48    47 S   CT   _C18    43     1.44267   121.57405    44.41113
   49    48 S   HC   _H5_    44     1.08431   105.20119    69.88165
   50    48 S   C5BC _C19    45     1.51260   108.34481   179.54976
   51    33 S   CT   _C5_    53     1.63695   105.69960    96.28327
   52    50 S   C5BC _C20    46     1.42676   127.94002    35.75940
   53    52 S   HA   _H13    47     1.08101   127.30274     1.63793
   54    51 S   CT   _C6_    54     1.56182   111.03805    69.37950
   55    54 S   HC   _H9_    55     1.09836   109.37922   -70.97164
   56    54 S   HC   _H10    56     1.09582   110.69769   174.74428
   57    51 S   CT   _C4_   101     1.56604   113.04227   -48.86356
   58    57 S   HC   _H6_   102     1.09352   112.42286   -61.77192
   59    57 S   HC   _H7_   103     1.09553   111.31764   178.07949
   60    57 S   HC   _H8_   104     1.09273   113.09936    61.51251
   61    52 S   C5A  _C21    48     1.37430   106.70103  -178.55179
   62    61 S   HA   _H14    49     1.08022   133.81841  -179.64064
   63    54 S   CT   _C7_    57     1.52677   115.65508    50.83944
   64    63 S   HC   _H11    58     1.09304   110.10188    67.35248
   65    63 S   HC   _H12    59     1.09681   108.17694  -177.03456
   66    61 S   OA   _O37    50     1.35642   110.47092     0.81181
   67    63 S   CT   _C8_    60     1.52682   110.27339   -57.19366
   68    67 S   HC   _H3_    61     1.09848   104.76670   -54.22315
   69    50 S   C5A  _C22    51     1.38262   127.12643  -140.95130
   70    69 S   HA   _H15    52     1.08069   133.39222    -1.49567
   71    67 S   CT   _C9_    62     1.58168   117.81287  -170.38295
   72    71 S   CT   _C10    63     1.57667   101.84455  -158.98291
   73    71 S   CM   _C27    86     1.53503   108.77132    80.01453
   74    73 S   HC   _H30    87     1.09177   114.48802     2.84255
   75    71 S   CT   _C26    97     1.55125   110.03538   -36.82021
   76    75 S   HC   _H27    98     1.08912   113.45491   -50.76001
   77    75 S   HC   _H28    99     1.09028   113.32036  -170.90158
   78    75 S   HC   _H29   100     1.09719   111.19647    69.35355
   79    72 S   CO4  _C11    64     1.51473   117.55499  -108.13979
   80    79 S   O    _O33    65     1.22621   124.72678   -83.24577
   81    72 S   OH   _O40    84     1.41718   112.08908   127.66859
   82    81 S   HO   _H26    85     0.97489   107.28636    67.24648
   83    73 S   CM   _C28    88     1.34388   132.18833  -175.24560
   84    83 S   HC   _H31    89     1.08900   117.06065   178.10205
   85    79 S   CT   _C12    66     1.50184   112.20428    99.35016
   86    83 S   CO4  _C29    90     1.48236   128.21297    -2.75243
   87    86 S   O    _O41    91     1.21876   126.52457   -12.25382
   88    85 S   OS   _O34    67     1.42622   102.21669    -2.16844
   89    85 S   CT   _C24    76     1.52050   111.65294  -118.09085
   90    89 S   HC   _H20    77     1.09465   110.86536   174.15635
   91    89 S   HC   _H21    78     1.09534   111.20765    56.07921
   92    89 S   HC   _H22    79     1.09473   111.64425   -64.48703
   93    85 S   CT   _C25    80     1.52225   111.59728   115.70518
   94    93 S   HC   _H23    81     1.09528   110.78987  -168.57823
   95    93 S   HC   _H24    82     1.09518   111.40876    70.27188
   96    93 S   HC   _H25    83     1.09523   111.63440   -49.82918
   97    86 S   OS   _O42    92     1.36167   107.16813   168.22108
   98    72 S   CO   _C13    68     1.56880   107.48560     2.29848
   99    97 S   CT   _C30    93     1.43080   115.14646   179.45320
  100    99 S   HC   _H32    94     1.09328   108.10761  -179.93147
  101    99 S   HC   _H33    95     1.09426   110.28775    61.37162
  102    99 S   HC   _H34    96     1.09427   110.29071   -61.23392
  103    98 S   OH   _O39    74     1.42077   110.66453   147.40586
  104   103 S   HO   _H19    75     0.97540   106.51094  -163.11083
  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  13   6   5  25   6   2  12   4   3   2   8  17
   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9   4
   3   2  15   5   1   1  18  18  13   4   7   2   1   1  15   6
   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1   1
   4   2   3   2   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    51    54    67    98    40    43    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    54    55    56    63    67    68    71    72    88    98    40    43    44    45    46   103    57    58    59    60  
   35    36  
   36  
    0  
   38    39    41    42    47    48    51    54    67    98    40    43    57  
   39    41    42    47    51    40  
   41    42    47    51    40  
   43    44    45    46   103   104    81    73    75    57    41    48    51    54    63    64    65    67    68    71    72    79    85    88    98  
   42    47    48    49    50    51  
   47    48  
   44    45    46   103    51    63    67    68    71    72    88    98  
   45    46    67    98  
   46    67    98  
   67    98  
   48    49    50    52    69    51    54    57  
   49    50    52    53    61    66    69    70    51    54    55    56    63    57    58    59    60  
   50    52    69    51    54    57  
   52    53    61    62    66    69    70    51    54    57  
   54    55    56    63    64    65    67    98    57    58    59    60    52    69  
   53    61    62    66    69    70  
   61    62    66    69  
   55    56    63    64    65    67    68    71    57    58    59    60  
   56    63    64    65    67    57  
   63    64    65    67    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    98    73    75  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    79    88    98   103    81    73    74    83    75    76    77    78  
   71    72    98    73    75  
   70  
    0  
   72    79    80    85    88    98   103    81    82    73    74    83    84    86    75    76    77    78  
   79    80    85    88    98   103   104    89    93    81    82    73    74    83    75    76    77    78  
   74    83    84    86    87    97    75    76    77    78    79    81    98  
   83    84    86    75  
   76    77    78    79    81    83    98  
   77    78  
   78  
    0  
   80    85    88    98   103    89    90    91    92    93    94    95    96    81    82  
   85    88    98    89    93    81  
   82    85    88    98   103  
   98  
   84    86    87    97    99  
   86    87    97  
   88    98   103    89    90    91    92    93    94    95    96  
   87    97    99   100   101   102  
   97    99  
   98   103   104    89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96    98  
   91    92    93  
   92    93  
   93  
   94    95    96    98  
   95    96  
   96  
    0  
   99   100   101   102  
  103   104  
  100   101   102  
  101   102  
  102  
    0  
  104  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   98   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   285.000  1.502
   48    51   268.000  1.529
   50    52   469.000  1.424
   50    69   546.000  1.367
   52    53   367.000  1.080
   52    61   546.000  1.367
   61    62   367.000  1.080
   61    66   340.000  1.360
   66    69   340.000  1.360
   69    70   367.000  1.080
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    40   268.000  1.529
   71    72   268.000  1.529
   71    73   317.000  1.510
   71    75   268.000  1.529
   72    79   317.000  1.522
   72    98   250.000  1.527
   72    81   320.000  1.410
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    88   320.000  1.410
   85    89   268.000  1.529
   85    93   268.000  1.529
   88    98   320.000  1.380
   98    40   250.000  1.527
   98   103   380.000  1.407
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
  103   104   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   81    82   553.000  0.945
   73    74   340.000  1.080
   73    83   549.000  1.340
   83    84   340.000  1.080
   83    86   320.000  1.462
   86    87   570.000  1.229
   86    97   214.000  1.327
   97    99   320.000  1.410
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    51    57    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    98    75.00000  109.43000
   33    40    43    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  111.85700
   47    48    51    50.00000  109.50000
   48    50    52    60.00000  130.00000
   48    50    69    60.00000  130.00000
   48    51    54    58.35000  112.70000
   48    51    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  127.50000
   50    52    61    70.00000  107.30000
   50    69    66    70.00000  110.60000
   50    69    70    35.00000  132.10000
   52    61    62    35.00000  132.10000
   52    61    66    70.00000  110.60000
   61    52    53    35.00000  125.70000
   61    66    69    70.00000  106.50000
   66    61    62    35.00000  113.40000
   66    69    70    35.00000  113.40000
   69    50    52    70.00000  107.30000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.17500
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    58.35000  112.70000
   67    71    73    70.00000  112.02700
   67    71    75    58.35000  112.70000
   67    40    98    75.00000  109.43000
   67    40    43    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    72    79    63.00000  111.10000
   71    72    98    75.00000  109.43000
   71    72    81    50.00000  109.50000
   71    73    74    35.00000  117.00000
   71    73    83    70.00000  124.00000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    80.00000  120.40000
   72    79    85    70.00000  116.00000
   72    98    88    90.00000  108.56700
   72    98    40    65.00000  112.71400
   72    98   103    90.00000  110.19100
   72    81    82    55.00000  108.50000
   79    85    88    90.00000  108.74100
   79    85    89    63.00000  111.10000
   79    85    93    63.00000  111.10000
   85    79    80    80.00000  120.40000
   85    88    98    60.00000  109.50000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    37.50000  110.70000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    37.50000  110.70000
   88    98    40    90.00000  108.56700
   88    98   103   110.00000  112.08000
   98    72    79    63.00000  111.10000
   98    40    43    75.00000  109.43000
   98   103   104    70.00000  107.92000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    71    58.35000  112.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
  103    98    40    90.00000  110.19100
   89    85    88    50.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    85    88    50.00000  109.50000
   93    85    89    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   81    72    79    90.00000  109.61100
   81    72    98    90.00000  111.58700
   73    71    72    70.00000  112.02700
   73    83    84    35.00000  120.00000
   73    83    86    65.00000  118.96000
   83    73    74    35.00000  120.00000
   83    86    87    80.00000  123.72100
   83    86    97    90.00000  111.29400
   86    83    84    40.00000  117.72500
   86    97    99    83.00000  116.90000
   97    86    87    83.00000  123.40000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    35.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   75    71    72    58.35000  112.70000
   75    71    73    70.00000  112.02700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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
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   40    67   -71    72  -0.07550 -1.0 2.0
   40    67   -71    72   0.20000  1.0 3.0
   40    67    71    73   0.34400  1.0 1.0
   40    67    71    73   0.09450 -1.0 2.0
   40    67    71    73   0.11100  1.0 3.0
   40    67    71    75   0.56750  1.0 1.0
   40    67    71    75  -0.07550 -1.0 2.0
   40    67    71    75   0.20000  1.0 3.0
   40    98   103   104  -0.11600  1.0 1.0
   40    98   103   104  -0.09450 -1.0 2.0
   40    98   103   104   0.21250  1.0 3.0
  103    98    40    33   0.86500  1.0 1.0
  103    98    40    33  -0.17500 -1.0 2.0
  103    98    40    33   0.20800  1.0 3.0
  103    98    40    67   0.86500  1.0 1.0
  103    98    40    67  -0.17500 -1.0 2.0
  103    98    40    67   0.20800  1.0 3.0
  103    98    40    43   0.86500  1.0 1.0
  103    98    40    43  -0.17500 -1.0 2.0
  103    98    40    43   0.20800  1.0 3.0
   89    85    88    98   0.06250  1.0 1.0
   89    85    88    98  -0.01100 -1.0 2.0
   89    85    88    98   0.28050  1.0 3.0
   89    85    93    94   0.15000  1.0 3.0
   89    85    93    95   0.15000  1.0 3.0
   89    85    93    96   0.15000  1.0 3.0
   93    85    88    98   0.06250  1.0 1.0
   93    85    88    98  -0.01100 -1.0 2.0
   93    85    88    98   0.28050  1.0 3.0
   93    85    89    90   0.15000  1.0 3.0
   93    85    89    91   0.15000  1.0 3.0
   93    85    89    92   0.15000  1.0 3.0
   81    72    79    80   0.30150 -1.0 2.0
   81    72    79    85   0.55300  1.0 1.0
   81    72    79    85   1.25850 -1.0 2.0
   81    72    79    85  -0.23600  1.0 3.0
   81    72    98    88   3.69350  1.0 1.0
   81    72    98    88  -1.82950 -1.0 2.0
   81    72    98    40   0.86500  1.0 1.0
   81    72    98    40  -0.17500 -1.0 2.0
   81    72    98    40   0.20800  1.0 3.0
   81    72    98   103   3.75450  1.0 1.0
   73    71    72    79  -0.98800  1.0 1.0
   73    71    72    79   0.48800 -1.0 2.0
   73    71    72    79   0.76800  1.0 3.0
   73    71    72    98   0.34400  1.0 1.0
   73    71    72    98   0.09450 -1.0 2.0
   73    71    72    98   0.11100  1.0 3.0
   73    71    72    81   1.05650  1.0 1.0
   73    71    72    81   0.15600 -1.0 2.0
   73    71    72    81   0.53150  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
   73    83    86    87   1.00000 -1.0 2.0
   73    83    86    97  -0.56150  1.0 1.0
   73    83    86    97   2.19150 -1.0 2.0
   74    73    83    84   7.00000 -1.0 2.0
   74    73    83    86   7.00000 -1.0 2.0
   83    86    97    99   2.00000 -1.0 2.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    97   1.63100 -1.0 2.0
   86    97    99   100   0.08050  1.0 3.0
   86    97    99   101   0.08050  1.0 3.0
   86    97    99   102   0.08050  1.0 3.0
   87    86    97    99   3.00000 -1.0 2.0
   75    71    72    79  -0.95700  1.0 1.0
   75    71    72    79  -0.18200 -1.0 2.0
   75    71    72    79   0.29450  1.0 3.0
   75    71    72    98   3.97050  1.0 1.0
   75    71    72    81   0.86500  1.0 1.0
   75    71    72    81  -0.17500 -1.0 2.0
   75    71    72    81   0.20800  1.0 3.0
   75    71    73    74   0.00000  1.0 1.0
   75    71    73    83   0.09850  1.0 1.0
   75    71    73    83   0.15250 -1.0 2.0
   75    71    73    83  -0.50650  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    63   0.56750  1.0 1.0
   57    51    54    63  -0.07550 -1.0 2.0
   57    51    54    63   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   52    69    50    48   4.00000 -1.0 2.0
   61    53    52    50   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   66    70    69    50   1.10000 -1.0 2.0
   72    85    79    80  10.50000 -1.0 2.0
   71    74    73    83  15.00000 -1.0 2.0
   86    84    83    73  15.00000 -1.0 2.0
   83    97    86    87  10.50000 -1.0 2.0
END
