* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    223    362     677
    1     0 S   NP   _N1_     1    28.34133    96.69423   -25.39098
    2     1 S   H    _HN1     2     1.02777   116.55545  -106.20591
    3     1 S   H    _H1_     3     1.02958    76.14826    -2.37306
    4     1 S   H    _H2_     4     1.02836    30.98498   173.29329
    5     1 S   CT   _CA1     5     1.50137   125.32335   102.99537
    6     5 S   HC   _HA1     6     1.09577   105.20320    90.37224
    7     5 S   CO3  _C1_     7     1.53782   112.35926   -29.79035
    8     7 S   O2Z  _O11     8     1.26368   114.99204   -43.70006
    9     7 S   O2Z  _O12     9     1.26236   114.93081   135.34474
   10     5 S   CT   _CB1    10     1.53097   107.41661  -151.73296
   11    10 S   HC   HB11    11     1.09828   109.30817   -50.46787
   12    10 S   HC   HB12    12     1.09817   110.43768    66.08376
   13    10 S   CT   _CG1    13     1.53023   112.68393  -171.53392
   14    13 S   HC   HG11    14     1.09594   110.49849   -64.90760
   15    13 S   HC   HG12    15     1.09660   109.90533    54.29259
   16    13 S   C    _CD1    16     1.51850   112.30721   174.64643
   17    16 S   O    _OE1    17     1.22757   123.28817     1.11206
   18    16 S   N    _N2_    18     1.38561   111.72434  -178.84140
   19    18 S   H    _HN2    19     1.01557   119.04894     4.10222
   20    18 S   CT1  _CA2    20     1.45835   122.86598   177.87588
   21    20 S   HC   _HA2    21     1.09735   108.88607    25.05303
   22    20 S   C    _C2_    22     1.52954   107.05570   -91.96108
   23    22 S   O    _O2_    23     1.22978   123.07802   -26.50109
   24    20 S   CT   _CB2    32     1.53221   112.23898   148.22303
   25    24 S   HC   HB21    33     1.09588   110.11928    54.22458
   26    24 S   HC   HB22    34     1.09407   109.94957   173.11490
   27    22 S   N    _N3_    24     1.38504   112.54476   156.21476
   28    27 S   H    _HN3    25     1.01659   120.33612    -2.13955
   29    24 S   S    _SG2    35     1.82601   111.06329   -66.55166
   30    27 S   CT   _CA3    26     1.45355   122.50393   178.58432
   31    30 S   HC   HA31    27     1.09567   107.83300   -55.33971
   32    30 S   HC   HA32    28     1.09562   107.59253    61.00128
   33    29 S   CT   _C22    36     1.86039    99.94050   172.35335
   34    33 S   HC   _H8_    37     1.09555   104.15931   -40.45074
   35    30 S   CO3  _C3_    29     1.52892   114.31300  -177.24544
   36    35 S   O2Z  _O31    30     1.26339   116.05455     0.33977
   37    35 S   O2Z  _O32    31     1.26434   114.41433  -179.70658
   38    33 S   CT   _C21    38     1.54704   109.30615    75.07268
   39    38 S   HC   _H33    39     1.09822   110.33866    59.00046
   40    38 S   HC   _H34    40     1.09610   109.59462   -57.54787
   41    38 S   CT   _C20    41     1.54056   113.22251  -178.13764
   42    41 S   HC   _H7_    42     1.09422   106.49479    69.37803
   43    41 S   CT   _C15    43     1.53542   111.61256  -172.79990
   44    43 S   HC   _H5_    44     1.10323   106.40997    66.30427
   45    41 S   CT   _C19    60     1.56131   112.55680   -50.72470
   46    45 S   HC   _H6_    61     1.10022   106.84947   -63.80009
   47    43 S   CT   _C14    45     1.52135   118.44239   -52.59592
   48    47 S   HC   _H27    46     1.09485   112.08423    77.64831
   49    47 S   HC   _H28    47     1.09576   111.57714   -43.05337
   50    45 S   CT   _C24    62     1.58365   111.73188    53.07492
   51    47 S   CT   _C13    48     1.53441   103.96574  -162.11818
   52    51 S   HC   _H25    49     1.09599   109.24610   129.99325
   53    51 S   HC   _H26    50     1.09573   110.69843  -111.86624
   54    50 S   CT   _C25    63     1.56293   111.55281  -178.21908
   55    54 S   HC   _H35    64     1.09728   110.25437    53.63457
   56    54 S   HC   _H36    65     1.09653   110.50847   -63.04050
   57    50 S   CT   _C29    77     1.56409   108.80337    64.99589
   58    57 S   HC   _H43    78     1.09160   113.34355   -53.72616
   59    57 S   HC   _H44    79     1.09278   112.75986  -174.31435
   60    57 S   HC   _H45    80     1.09537   111.11913    66.69491
   61    51 S   CT   _C12    51     1.55628   107.16489     8.50214
   62    61 S   HC   _H4_    52     1.09950   107.25776   -91.79206
   63    54 S   CT   _C26    66     1.53262   113.31526   176.24636
   64    63 S   HC   _H37    67     1.09670   109.10116  -173.57404
   65    63 S   HC   _H38    68     1.09602   109.81024    71.01779
   66    43 S   CT   _C16    53     1.55127   113.50535  -174.81919
   67    63 S   CT   _C27    69     1.52400   113.53072   -51.56440
   68    67 S   HC   _H39    70     1.09658   109.35286   170.02729
   69    67 S   HC   _H40    71     1.09732   108.84837   -74.71235
   70    61 S   CT   _C5_    85     1.55298   112.06601   150.30018
   71    70 S   HC   _H3_    86     1.09795   108.37451   -62.04587
   72    66 S   CT   _C17    54     1.53930   106.75249   -61.59286
   73    72 S   HC   _H29    55     1.09771   109.92503   -65.08607
   74    72 S   HC   _H30    56     1.09353   111.33834   177.32299
   75    67 S   CT   _C28    72     1.53839   113.82146    47.64108
   76    75 S   HC   _H41    73     1.09684   108.75146    73.21503
   77    75 S   HC   _H42    74     1.09919   107.24416  -173.60346
   78    66 S   CT   _C30    81     1.54808   113.84789    59.77806
   79    78 S   HC   _H46    82     1.09442   112.45784    62.56023
   80    78 S   HC   _H47    83     1.09301   112.81810   -58.33158
   81    78 S   HC   _H48    84     1.09512   110.83627  -177.57440
   82    70 S   CT   _C4_    87     1.53170   112.76251   179.74436
   83    82 S   HC   _H9_    88     1.09457   111.71105   -47.70202
   84    82 S   HC   _H10    89     1.09266   111.07285    73.42776
   85    82 S   HC   _H11    90     1.09557   111.11308  -168.43004
   86    70 S   CT   _C6_    91     1.55178   113.01815    54.49439
   87    86 S   HC   _H12    92     1.09830   108.32837  -176.16253
   88    86 S   HC   _H13    93     1.09659   109.52941   -61.66028
   89    72 S   CT   _C18    57     1.54094   112.32476    55.96017
   90    89 S   HC   _H31    58     1.09403   109.01484    69.98494
   91    89 S   HC   _H32    59     1.09562   107.32773  -175.13933
   92    33 S   CT   _C23    75     1.57329   114.81005  -157.68333
   93    92 S   OM   _O33    76     1.33195   108.23043   -62.37940
   94    86 S   CT   _C7_    94     1.53386   115.25034    61.73013
   95    94 S   HC   _H14    95     1.09534   110.10998    57.57693
   96    94 S   HC   _H15    96     1.09370   109.56569   -60.56237
   97    94 S   CT   _C8_    97     1.53336   110.95904   178.54223
   98    97 S   HC   _H16    98     1.09757   109.34887    61.88730
   99    97 S   HC   _H17    99     1.09771   108.66531   -54.13900
  100    97 S   CT   _C9_   100     1.54010   113.48231  -175.21394
  101   100 S   HC   _H18   101     1.09739   108.70885    56.30460
  102   100 S   CT   _C10   102     1.52945   112.49073   -63.54597
  103   102 S   HC   _H19   103     1.09521   111.25835   -55.83195
  104   102 S   HC   _H20   104     1.09546   110.75180  -175.89802
  105   102 S   HC   _H21   105     1.09408   111.38577    64.98974
  106   100 S   CT   _C11   106     1.53077   109.78869   174.00711
  107   106 S   HC   _H22   107     1.09539   111.28372    61.94255
  108   106 S   HC   _H23   108     1.09522   110.83806  -177.80340
  109   106 S   HC   _H24   109     1.09518   110.83552   -58.33368
  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
  17   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  20  11   5   4  16   7   6   8   3   2   1  20   7   9   5
   4  14   7   5   4  14   8   9   5   4   4   3   2   4   2   1
   1   7   3   2   1   9   5   4   3   1   1   1   1   9   5   4
  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    75    92    93  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    75    76    77    92    93    57  
   38    39    40    41    50    75    92    93  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    89    45    46    50    75    92    93  
   40    41    42    43    45    92  
   41    42    43    45    92  
   42    43    44    47    48    49    51    61    66    72    89    90    91    45    46    50    54    92    57    78  
   43    44    47    66    89    45    46    50  
   44    47    48    49    51    52    53    61    62    66    72    73    74    89    45    46    50    78    79    80    81    70  
   47    48    49    51    61    66    72    45    78  
   46    50    54    55    56    63    75    92    93    57    58    59    60    47    66    72    73    74    89    90    91  
   50    54    92    57    72    89    90    91  
   48    49    51    52    53    61    62    66    72    78    70  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    75    76    77    92    93    57    58    59    60    72    89    90    91  
   52    53    61    62    66    72    78    70    71    82    86  
   53    61    62    66    70  
   61    62    66    70  
   55    56    63    64    65    67    68    69    75    92    93    57    58    59    60    89  
   56    63    64    65    67    92    57  
   63    64    65    67    92    57  
   58    59    60    63    75    89    92    93  
   59    60    92  
   60    92  
   92  
   62    66    72    73    74    89    78    79    80    81    70    71    82    83    84    85    86    87    88    94  
   66    72    78    70    71    82    86  
   64    65    67    68    69    75    76    77    92  
   65    67    68    69    75  
   67    68    69    75  
   72    73    74    89    90    91    78    79    80    81    70    71    82    86  
   68    69    75    76    77    92    93  
   69    75    76    77    92  
   75    76    77    92  
   71    82    83    84    85    86    87    88    94    95    96    97    72    78  
   82    83    84    85    86    87    88    94  
   73    74    89    90    91    78    79    80    81  
   74    89    90    91    78  
   89    90    91    78  
   76    77    92    93  
   77    92    93  
   92    93  
   79    80    81    89  
   80    81  
   81  
    0  
   83    84    85    86    87    88    94  
   84    85    86  
   85    86  
   86  
   87    88    94    95    96    97    98    99   100  
   88    94    95    96    97  
   94    95    96    97  
   90    91    92  
   91  
    0  
   93  
    0  
   95    96    97    98    99   100   101   102   106  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106   107   108   109  
   99   100   101   102   106  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   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    92   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    70   268.000  1.529
   66    72   268.000  1.529
   66    78   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    92   268.000  1.529
   50    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    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    92   268.000  1.529
   92    93   570.000  1.307
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   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    92    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    92    50    58.35000  112.70000
   33    92    75    58.35000  112.70000
   33    92    93    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    89    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    72    58.35000  112.70000
   43    66    78    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    70    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    82    58.35000  112.70000
   61    70    86    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    89    58.35000  112.70000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    81    37.50000  110.70000
   72    89    90    37.50000  110.70000
   72    89    91    37.50000  110.70000
   72    89    45    58.35000  112.70000
   74    72    73    33.00000  107.80000
   89    72    73    37.50000  110.70000
   89    72    74    37.50000  110.70000
   89    45    46    37.50000  110.70000
   89    45    50    58.35000  112.70000
   91    89    90    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    89    90    37.50000  110.70000
   45    89    91    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    92    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    92    75    58.35000  112.70000
   50    92    93    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    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    69    37.50000  110.70000
   63    67    75    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    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    92    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    92    93    50.00000  109.50000
   77    75    76    33.00000  107.80000
   92    33    34    37.50000  110.70000
   92    33    38    58.35000  112.70000
   92    50    54    58.35000  112.70000
   92    75    76    37.50000  110.70000
   92    75    77    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    50    92    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
   78    66    72    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    66    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    85    37.50000  110.70000
   70    86    87    37.50000  110.70000
   70    86    88    37.50000  110.70000
   70    86    94    58.35000  112.70000
   82    70    71    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    70    71    37.50000  110.70000
   86    70    82    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    58.35000  112.70000
   88    86    87    33.00000  107.80000
   94    86    87    37.50000  110.70000
   94    86    88    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    58.35000  112.70000
   97   100   106    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    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
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   67    75    92    33  -0.07550 -1.0 2.0
   67    75    92    33   0.20000  1.0 3.0
   67    75   -92    50   0.56750  1.0 1.0
   67    75   -92    50  -0.07550 -1.0 2.0
   67    75   -92    50   0.20000  1.0 3.0
   67    75    92    93   0.62750  1.0 1.0
   67    75    92    93  -0.30950 -1.0 2.0
   67    75    92    93   0.27300  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    92   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    92   0.15000  1.0 3.0
   76    75    92    33   0.15000  1.0 3.0
   76    75    92    50   0.15000  1.0 3.0
   76    75    92    93   0.23400  1.0 3.0
   77    75    92    33   0.15000  1.0 3.0
   77    75    92    50   0.15000  1.0 3.0
   77    75    92    93   0.23400  1.0 3.0
   92    33    38    39   0.15000  1.0 3.0
   92    33    38    40   0.15000  1.0 3.0
   92    33   -38    41   0.56750  1.0 1.0
   92    33   -38    41  -0.07550 -1.0 2.0
   92    33   -38    41   0.20000  1.0 3.0
   92    50    54    55   0.15000  1.0 3.0
   92    50    54    56   0.15000  1.0 3.0
   92    50   -54    63   0.56750  1.0 1.0
   92    50   -54    63  -0.07550 -1.0 2.0
   92    50   -54    63   0.20000  1.0 3.0
   92    50    57    58   0.15000  1.0 3.0
   92    50    57    59   0.15000  1.0 3.0
   92    50    57    60   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    92    33   0.56750  1.0 1.0
   57    50    92    33  -0.07550 -1.0 2.0
   57    50    92    33   0.20000  1.0 3.0
   57    50    92    75   0.56750  1.0 1.0
   57    50    92    75  -0.07550 -1.0 2.0
   57    50    92    75   0.20000  1.0 3.0
   57    50    92    93   0.62750  1.0 1.0
   57    50    92    93  -0.30950 -1.0 2.0
   57    50    92    93   0.27300  1.0 3.0
   78    66    72    73   0.15000  1.0 3.0
   78    66    72    74   0.15000  1.0 3.0
   78    66    72    89   0.56750  1.0 1.0
   78    66    72    89  -0.07550 -1.0 2.0
   78    66    72    89   0.20000  1.0 3.0
   70    61    66    43   0.56750  1.0 1.0
   70    61    66    43  -0.07550 -1.0 2.0
   70    61    66    43   0.20000  1.0 3.0
   70    61    66    72   0.56750  1.0 1.0
   70    61    66    72  -0.07550 -1.0 2.0
   70    61    66    72   0.20000  1.0 3.0
   70    61    66    78   0.56750  1.0 1.0
   70    61    66    78  -0.07550 -1.0 2.0
   70    61    66    78   0.20000  1.0 3.0
   70    86    94    95   0.15000  1.0 3.0
   70    86    94    96   0.15000  1.0 3.0
   70    86    94    97   0.56750  1.0 1.0
   70    86    94    97  -0.07550 -1.0 2.0
   70    86    94    97   0.20000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    85   0.15000  1.0 3.0
   71    70    86    87   0.15000  1.0 3.0
   71    70    86    88   0.15000  1.0 3.0
   71    70    86    94   0.15000  1.0 3.0
   82    70    86    87   0.15000  1.0 3.0
   82    70    86    88   0.15000  1.0 3.0
   82    70    86    94   0.56750  1.0 1.0
   82    70    86    94  -0.07550 -1.0 2.0
   82    70    86    94   0.20000  1.0 3.0
   86    70    82    83   0.15000  1.0 3.0
   86    70    82    84   0.15000  1.0 3.0
   86    70    82    85   0.15000  1.0 3.0
   86    94    97    98   0.15000  1.0 3.0
   86    94    97    99   0.15000  1.0 3.0
   86    94    97   100   0.56750  1.0 1.0
   86    94    97   100  -0.07550 -1.0 2.0
   86    94    97   100   0.20000  1.0 3.0
   87    86    94    95   0.15000  1.0 3.0
   87    86    94    96   0.15000  1.0 3.0
   87    86    94    97   0.15000  1.0 3.0
   88    86    94    95   0.15000  1.0 3.0
   88    86    94    96   0.15000  1.0 3.0
   88    86    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.56750  1.0 1.0
   94    97   100   102  -0.07550 -1.0 2.0
   94    97   100   102   0.20000  1.0 3.0
   94    97   100   106   0.56750  1.0 1.0
   94    97   100   106  -0.07550 -1.0 2.0
   94    97   100   106   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   97   100   106   107   0.15000  1.0 3.0
   97   100   106   108   0.15000  1.0 3.0
   97   100   106   109   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   106   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
