* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    225    368     675
    1     0 S   NP   _N1_     1    28.21163    97.44200   -20.09074
    2     1 S   H    _HN1     2     1.02936    70.47924   -12.99642
    3     1 S   H    _H1_     3     1.02817    43.51309   132.82759
    4     1 S   H    _H2_     4     1.02797    98.13153  -119.76309
    5     1 S   CT   _CA1     5     1.50078   146.70681    84.81454
    6     5 S   HC   _HA1     6     1.09431   105.04304    92.58230
    7     5 S   CO3  _C1_     7     1.53775   112.54162   -27.66967
    8     7 S   O2Z  _O11     8     1.26386   114.98442   -40.55122
    9     7 S   O2Z  _O12     9     1.26210   115.05131   138.54110
   10     5 S   CT   _CB1    10     1.53079   107.50072  -149.27051
   11    10 S   HC   HB11    11     1.09835   109.54553   -46.52358
   12    10 S   HC   HB12    12     1.09799   110.47414    70.22803
   13    10 S   CT   _CG1    13     1.52979   112.46595  -167.26216
   14    13 S   HC   HG11    14     1.09549   110.92908   -64.56440
   15    13 S   HC   HG12    15     1.09542   109.25901    54.67120
   16    13 S   C    _CD1    16     1.51806   112.23398   174.75731
   17    16 S   O    _OE1    17     1.22748   123.19579     9.85616
   18    16 S   N    _N2_    18     1.38684   111.82923  -170.02125
   19    18 S   H    _HN2    19     1.01522   119.07817     0.89962
   20    18 S   CT1  _CA2    20     1.46301   123.39220   176.59636
   21    20 S   HC   _HA2    21     1.09687   109.25939     9.30007
   22    20 S   C    _C2_    22     1.53823   109.08065  -106.86972
   23    22 S   O    _O2_    23     1.23122   121.92848  -154.71662
   24    20 S   CT   _CB2    32     1.53666   111.78540   131.47784
   25    24 S   HC   HB21    33     1.09179   108.41883    62.14587
   26    24 S   HC   HB22    34     1.09405   110.00552  -179.55677
   27    22 S   N    _N3_    24     1.38240   114.33917    31.91770
   28    27 S   H    _HN3    25     1.01519   119.57234    -0.81757
   29    24 S   S    _SG2    35     1.82697   111.87489   -58.45070
   30    27 S   CT   _CA3    26     1.45305   123.29007   178.76346
   31    30 S   HC   HA31    27     1.09521   107.64414   -68.24714
   32    30 S   HC   HA32    28     1.09570   107.95034    48.22222
   33    29 S   CT   _C30    36     1.88184   102.51032   177.68260
   34    30 S   CO3  _C3_    29     1.52936   113.65418   170.81335
   35    34 S   O2Z  _O31    30     1.26387   115.80757    22.59945
   36    34 S   O2Z  _O32    31     1.26379   114.66394  -157.39293
   37    33 S   CT   _C24    37     1.54868   103.45088  -171.72051
   38    37 S   HC   _H63    38     1.09584   111.99092    64.69984
   39    37 S   HC   _H64    39     1.09591   111.62863  -174.74890
   40    37 S   HC   _H65    40     1.09746   111.70215   -56.20748
   41    33 S   CT   _C25    41     1.54578   106.26059    74.05425
   42    41 S   HC   _H66    42     1.09525   111.78799   -70.05833
   43    41 S   HC   _H67    43     1.09617   111.26590   170.23612
   44    41 S   HC   _H68    44     1.09672   111.89873    51.28056
   45    33 S   CT   _C29    45     1.59250   113.79372   -48.49113
   46    45 S   OM   _O28    46     1.32798   109.35626  -173.34386
   47    45 S   HC   _H74    47     1.09858   105.11899    60.38059
   48    45 S   CT   _C27    48     1.56292   113.17554   -54.25180
   49    48 S   HC   _H71    49     1.09901   111.29693   -70.43809
   50    48 S   HC   _H72    50     1.09096   109.17292    45.94488
   51    48 S   CT   _C26    51     1.54565   112.92875   166.37760
   52    51 S   HC   _H69    52     1.09583   109.71570   -38.84359
   53    51 S   HC   _H70    53     1.09810   108.61266    76.09870
   54    51 S   CT   _C28    54     1.55431   115.00454  -162.47531
   55    54 S   HC   _H73    55     1.09813   105.86475  -173.35740
   56    54 S   CT   _C15    56     1.55444   112.29563    68.96397
   57    56 S   HC   _H51    57     1.09833   107.70160   -60.41098
   58    54 S   CT   _C23   106     1.53017   109.85889   -58.03573
   59    58 S   HC   _H60   107     1.09469   111.66507    77.59719
   60    58 S   HC   _H61   108     1.09262   111.15488  -161.16100
   61    58 S   HC   _H62   109     1.09566   110.95479   -43.00636
   62    56 S   CT   _C6_    58     1.55681   112.06169    57.12868
   63    62 S   HC   _H36    59     1.09602   111.88336    31.96812
   64    62 S   HC   _H37    60     1.09418   110.58001   -87.68094
   65    62 S   CT   _C4_    61     1.53363   107.09400   151.85365
   66    65 S   HC   _H32    62     1.09461   111.22153   128.32341
   67    65 S   HC   _H33    63     1.09566   110.52259  -112.24857
   68    65 S   CT   _C12    64     1.52170   103.83842     7.53515
   69    68 S   HC   _H48    65     1.10121   105.76428    78.45255
   70    68 S   CT   _C14    66     1.53491   118.05666  -163.24023
   71    70 S   HC   _H50    67     1.09468   108.81727    61.35519
   72    70 S   CT   _C10    68     1.54020   109.76225   -56.04955
   73    72 S   HC   _H44    69     1.09718   110.14125   -37.46311
   74    72 S   HC   _H45    70     1.09696   108.87803    78.42949
   75    70 S   CT   _C13    86     1.56094   109.23515  -179.27126
   76    75 S   HC   _H49    87     1.10011   106.23194    65.89128
   77    72 S   C3T  _C16    71     1.49221   114.67476  -159.39122
   78    77 S   HC   _H52    72     1.08153   113.27625  -148.65860
   79    75 S   CT   _C5_    88     1.55006   112.33170   -48.44815
   80    79 S   HC   _H34    89     1.09342   110.75960   -73.93468
   81    79 S   HC   _H35    90     1.09571   109.68141   169.26586
   82    77 S   C3T  _C20    73     1.51076   123.39008    11.50689
   83    79 S   CT   _C8_    91     1.53722   113.91066    48.70003
   84    83 S   HC   _H40    92     1.09772   108.74277    67.78278
   85    83 S   HC   _H41    93     1.09343   108.12718  -177.13843
   86    82 S   CT   _C11    74     1.50472   120.41558  -165.98919
   87    86 S   HC   _H46    75     1.09624   110.61693    92.43786
   88    86 S   HC   _H47    76     1.09799   111.20346   -23.71465
   89    56 S   CT   _C18    94     1.56006   119.84297   177.61255
   90    77 S   O3T  _O29   105     1.43984   111.74490    76.87404
   91    86 S   CT   _C17    77     1.52811   110.30841  -144.82542
   92    91 S   HC   _H53    78     1.09690   109.43572    68.58000
   93    89 S   CT   _C21    95     1.54594   111.22903   -46.84313
   94    93 S   HC   _H54    96     1.09446   112.47770   -46.76159
   95    93 S   HC   _H55    97     1.09332   112.61809  -167.37141
   96    93 S   HC   _H56    98     1.09493   110.86704    73.05135
   97    91 S   CT   _C7_    79     1.52920   111.74396   -52.75155
   98    97 S   HC   _H38    80     1.09669   109.98417   -70.19041
   99    97 S   HC   _H39    81     1.09727   109.32555   174.99199
  100    91 S   OH   _O30   103     1.42343   108.72428  -173.87638
  101   100 S   HO   _H75   104     0.97242   107.56612   179.81655
  102    97 S   CT   _C9_    82     1.53293   112.24351    53.39127
  103   102 S   HC   _H42    83     1.09779   107.92916    68.01083
  104   102 S   HC   _H43    84     1.09594   108.20772  -176.78752
  105    82 S   CT   _C19    85     1.52959   119.52179    -6.47060
  106   105 S   CT   _C22    99     1.55060   108.76718   -94.78407
  107   106 S   HC   _H57   100     1.09399   111.87180    60.68437
  108   106 S   HC   _H58   101     1.09423   112.30960   -58.06241
  109   106 S   HC   _H59   102     1.09352   112.00145  -177.48052
  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
  15   2   1   1  11   4   3   2   7   3   2   1   9   5   4   9
   5   4  12   5   4  15   8  23   9   5   2   1   1  11   6   5
  11   5   4  19   7  19   9  12   6   5  21   8  10   4  11   6
   5  16   8   3   2  13   7   6   4   4  10   6   3   2   1   1
   9   6   5   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51    52    53    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    56    58  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    62    89    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    64    65    68    83    89    93    58    59    60    61  
   56    57    62    89    58    59    60    61  
   57    62    63    64    65    66    67    68    69    70    79    83    84    85    89    93    94    95    96    58    59    60    61  
   62    63    64    65    68    83    89    93    58  
   59    60    61    62    89  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    83    89    93  
   64    65    66    67    68    89  
   65    66    67    68    89  
   66    67    68    69    70    71    72    75    83    89    93  
   67    68    69    70    89  
   68    69    70    89  
   69    70    71    72    73    74    77   105    75    76    79    83    84    85    89    93    94    95    96  
   70    71    72    75    83    89    93  
   71    72    73    74    77    78    82   102   105    75    76    79    80    81    83    89    93   106    90  
   72    73    74    77   105    75    76    79    89  
   73    74    77    78    82    86   105    75    76    79    89    90  
   74    77    78    82    75    90  
   77    78    82    75    90  
   76    79    80    81    83    84    85    89   106   107   108   109    90    77    82    86    97   102   103   104   105  
   79    80    81    83   106    82   102   105  
   78    82    86    87    88    91   102   105   106    90  
   82    86   105    90  
   80    81    83    84    85    89    93   106    82   102   105  
   81    83    84    85    89   105  
   83    84    85    89   105  
   86    87    88    91    92    97   102   103   104   105   106   107   108   109   100    90  
   84    85    89    93    94    95    96   105  
   85    89    93  
   89    93  
   87    88    91    92    97    98    99   102   105   106   100   101    90  
   88    91    92    97   105   100    90  
   91    92    97   105   100    90  
   93    94    95    96  
   91   102   105   106  
   92    97    98    99   102   103   104   105   100   101  
   97    98    99   102   100   101  
   94    95    96  
   95    96  
   96  
    0  
   98    99   102   103   104   105   106   100   101  
   99   102   103   104   105   100  
  102   103   104   105   100  
  101   102  
    0  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106   107   108   109  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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    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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   570.000  1.307
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    89   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    89   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   275.000  1.510
   77    78   340.000  1.088
   77    82   260.000  1.509
   77    90   335.000  1.432
   82    86   275.000  1.510
   82   105   275.000  1.510
   82    90   335.000  1.432
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91   100   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105    75   268.000  1.529
  105   106   268.000  1.529
   75    76   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    89   268.000  1.529
   89    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  100   101   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    50.00000  109.50000
   33    45    47    37.50000  110.70000
   33    45    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    45.00000  125.66300
   48    45    46    50.00000  109.50000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    58.35000  112.70000
   54    56    89    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    89    68    58.35000  112.70000
   56    89    83    58.35000  112.70000
   56    89    93    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    89    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    58.35000  112.70000
   68    70    75    58.35000  112.70000
   68    89    83    58.35000  112.70000
   68    89    93    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    77    70.00000  112.37300
   70    75   105    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    79    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    77    78    40.00000  115.04500
   72    77    82    60.00000  120.94000
   72    77    90    80.00000  116.47100
   74    72    73    33.00000  107.80000
   77    72    73    45.00000  109.38400
   77    72    74    45.00000  109.38400
   77    82    86    60.00000  120.94000
   77    82   105    60.00000  120.94000
   77    82    90    15.00000   60.43100
   77    90    82    15.00000   59.14900
   82    77    78    37.50000  117.20000
   82    86    87    45.00000  109.38400
   82    86    88    45.00000  109.38400
   82    86    91    70.00000  112.37300
   82   105   102    70.00000  112.37300
   82   105    75    70.00000  112.37300
   82   105   106    70.00000  112.37300
   86    91    92    37.50000  110.70000
   86    91    97    58.35000  112.70000
   86    91   100    50.00000  109.50000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   102    58.35000  112.70000
   91   100   101    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    58.35000  112.70000
   99    97    98    33.00000  107.80000
  102    97    98    37.50000  110.70000
  102    97    99    37.50000  110.70000
  102   105    75    58.35000  112.70000
  102   105   106    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105    82    86    58.35000  112.70000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105    75    76    37.50000  110.70000
  105    75    79    58.35000  112.70000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
   75    70    71    37.50000  110.70000
   75    70    72    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    83    58.35000  112.70000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    89    58.35000  112.70000
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    89    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   89    56    57    37.50000  110.70000
   89    56    62    58.35000  112.70000
   89    68    69    37.50000  110.70000
   89    68    70    58.35000  112.70000
   89    83    84    37.50000  110.70000
   89    83    85    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  106   105    75    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
  100    91    92    35.00000  109.50000
  100    91    97    50.00000  109.50000
   90    77    78    50.00000  114.27700
   90    77    82    15.00000   60.43100
   90    82    86    80.00000  116.47100
   90    82   105    80.00000  116.47100
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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
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   86    91    97    99   0.15000  1.0 3.0
   86    91   -97   102   0.56750  1.0 1.0
   86    91   -97   102  -0.07550 -1.0 2.0
   86    91   -97   102   0.20000  1.0 3.0
   86    91   100   101  -0.11600  1.0 1.0
   86    91   100   101  -0.09450 -1.0 2.0
   86    91   100   101   0.21250  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    97   0.15000  1.0 3.0
   87    86    91   100   0.23400  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    97   0.15000  1.0 3.0
   88    86    91   100   0.23400  1.0 3.0
   91    97   102   103   0.15000  1.0 3.0
   91    97   102   104   0.15000  1.0 3.0
   91    97   102   105   0.56750  1.0 1.0
   91    97   102   105  -0.07550 -1.0 2.0
   91    97   102   105   0.20000  1.0 3.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97    99   0.15000  1.0 3.0
   92    91    97   102   0.15000  1.0 3.0
   92    91   100   101   0.19450  1.0 3.0
   97    91   100   101  -0.11600  1.0 1.0
   97    91   100   101  -0.09450 -1.0 2.0
   97    91   100   101   0.21250  1.0 3.0
   97   102  -105    82   0.47050  1.0 1.0
   97   102  -105    82   0.03900 -1.0 2.0
   97   102  -105    82   0.20100  1.0 3.0
   97   102   105    75   0.56750  1.0 1.0
   97   102   105    75  -0.07550 -1.0 2.0
   97   102   105    75   0.20000  1.0 3.0
   97   102   105   106   0.56750  1.0 1.0
   97   102   105   106  -0.07550 -1.0 2.0
   97   102   105   106   0.20000  1.0 3.0
   98    97   102   103   0.15000  1.0 3.0
   98    97   102   104   0.15000  1.0 3.0
   98    97   102   105   0.15000  1.0 3.0
   99    97   102   103   0.15000  1.0 3.0
   99    97   102   104   0.15000  1.0 3.0
   99    97   102   105   0.15000  1.0 3.0
  102   105    75    70   0.56750  1.0 1.0
  102   105    75    70  -0.07550 -1.0 2.0
  102   105    75    70   0.20000  1.0 3.0
  102   105    75    76   0.15000  1.0 3.0
  102   105    75    79   0.56750  1.0 1.0
  102   105    75    79  -0.07550 -1.0 2.0
  102   105    75    79   0.20000  1.0 3.0
  102   105   106   107   0.15000  1.0 3.0
  102   105   106   108   0.15000  1.0 3.0
  102   105   106   109   0.15000  1.0 3.0
  103   102   105    82   0.15000  1.0 3.0
  103   102   105    75   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  104   102   105    82   0.15000  1.0 3.0
  104   102   105    75   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  105    82    86    87   0.15000  1.0 3.0
  105    82    86    88   0.15000  1.0 3.0
  105    82   -86    91   0.56750  1.0 1.0
  105    82   -86    91  -0.07550 -1.0 2.0
  105    82   -86    91   0.20000  1.0 3.0
  105    82   -90    77   0.06250  1.0 1.0
  105    82   -90    77  -0.01100 -1.0 2.0
  105    82   -90    77   0.28050  1.0 3.0
  105    75    79    80   0.15000  1.0 3.0
  105    75    79    81   0.15000  1.0 3.0
  105    75    79    83   0.56750  1.0 1.0
  105    75    79    83  -0.07550 -1.0 2.0
  105    75    79    83   0.20000  1.0 3.0
   75    70    72    73   0.15000  1.0 3.0
   75    70    72    74   0.15000  1.0 3.0
   75    70   -72    77   0.47050  1.0 1.0
   75    70   -72    77   0.03900 -1.0 2.0
   75    70   -72    77   0.20100  1.0 3.0
   75   105   106   107   0.15000  1.0 3.0
   75   105   106   108   0.15000  1.0 3.0
   75   105   106   109   0.15000  1.0 3.0
   75    79    83    84   0.15000  1.0 3.0
   75    79    83    85   0.15000  1.0 3.0
   75    79    83    89   0.56750  1.0 1.0
   75    79    83    89  -0.07550 -1.0 2.0
   75    79    83    89   0.20000  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    83   0.15000  1.0 3.0
   79    83    89    56   0.56750  1.0 1.0
   79    83    89    56  -0.07550 -1.0 2.0
   79    83    89    56   0.20000  1.0 3.0
   79    83   -89    68   0.56750  1.0 1.0
   79    83   -89    68  -0.07550 -1.0 2.0
   79    83   -89    68   0.20000  1.0 3.0
   79    83    89    93   0.56750  1.0 1.0
   79    83    89    93  -0.07550 -1.0 2.0
   79    83    89    93   0.20000  1.0 3.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    89   0.15000  1.0 3.0
   81    79    83    84   0.15000  1.0 3.0
   81    79    83    85   0.15000  1.0 3.0
   81    79    83    89   0.15000  1.0 3.0
   83    89    93    94   0.15000  1.0 3.0
   83    89    93    95   0.15000  1.0 3.0
   83    89    93    96   0.15000  1.0 3.0
   84    83    89    56   0.15000  1.0 3.0
   84    83    89    68   0.15000  1.0 3.0
   84    83    89    93   0.15000  1.0 3.0
   85    83    89    56   0.15000  1.0 3.0
   85    83    89    68   0.15000  1.0 3.0
   85    83    89    93   0.15000  1.0 3.0
   89    56    62    63   0.15000  1.0 3.0
   89    56    62    64   0.15000  1.0 3.0
   89    56   -62    65   0.56750  1.0 1.0
   89    56   -62    65  -0.07550 -1.0 2.0
   89    56   -62    65   0.20000  1.0 3.0
   89    68    70    71   0.15000  1.0 3.0
   89    68    70    72   0.56750  1.0 1.0
   89    68    70    72  -0.07550 -1.0 2.0
   89    68    70    72   0.20000  1.0 3.0
   89    68   -70    75   0.56750  1.0 1.0
   89    68   -70    75  -0.07550 -1.0 2.0
   89    68   -70    75   0.20000  1.0 3.0
  106   105    75    70   0.56750  1.0 1.0
  106   105    75    70  -0.07550 -1.0 2.0
  106   105    75    70   0.20000  1.0 3.0
  106   105    75    76   0.15000  1.0 3.0
  106   105    75    79   0.56750  1.0 1.0
  106   105    75    79  -0.07550 -1.0 2.0
  106   105    75    79   0.20000  1.0 3.0
  100    91    97    98   0.23400  1.0 3.0
  100    91    97    99   0.23400  1.0 3.0
  100    91    97   102   0.86500  1.0 1.0
  100    91    97   102  -0.17500 -1.0 2.0
  100    91    97   102   0.20800  1.0 3.0
   90    77   -82    86   0.02550  1.0 1.0
   90    77   -82    86  -0.02600 -1.0 2.0
   90    77   -82    86   1.20400  1.0 3.0
   90    77   -82   105   0.02550  1.0 1.0
   90    77   -82   105  -0.02600 -1.0 2.0
   90    77   -82   105   1.20400  1.0 3.0
   90    82    86    87   0.23400  1.0 3.0
   90    82    86    88   0.23400  1.0 3.0
   90    82    86    91   0.02550  1.0 1.0
   90    82    86    91  -0.02600 -1.0 2.0
   90    82    86    91   1.20400  1.0 3.0
   90    82   105   102   0.02550  1.0 1.0
   90    82   105   102  -0.02600 -1.0 2.0
   90    82   105   102   1.20400  1.0 3.0
   90    82   105    75   0.02550  1.0 1.0
   90    82   105    75  -0.02600 -1.0 2.0
   90    82   105    75   1.20400  1.0 3.0
   90    82   105   106   0.02550  1.0 1.0
   90    82   105   106  -0.02600 -1.0 2.0
   90    82   105   106   1.20400  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.56750  1.0 1.0
   58    54    56    62  -0.07550 -1.0 2.0
   58    54    56    62   0.20000  1.0 3.0
   58    54    56    89   0.56750  1.0 1.0
   58    54    56    89  -0.07550 -1.0 2.0
   58    54    56    89   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
END
