* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    169    252     495
    1     0 S   NP   _N1_     1    28.82326    96.06407   -21.88579
    2     1 S   H    _HN1     2     1.02780    93.48655   -72.70838
    3     1 S   H    _H1_     3     1.02961    80.62344    35.29620
    4     1 S   H    _H2_     4     1.02837    36.54461   171.52560
    5     1 S   CT   _CA1     5     1.50120   145.57925   147.85451
    6     5 S   HC   _HA1     6     1.09585   105.19832    73.95028
    7     5 S   CO3  _C1_     7     1.53753   112.39222   -46.08835
    8     7 S   O2Z  _O11     8     1.26338   115.01667   -44.89010
    9     7 S   O2Z  _O12     9     1.26242   114.88562   134.19972
   10     5 S   CT   _CB1    10     1.53093   107.40590  -168.33517
   11    10 S   HC   HB11    11     1.09818   109.14746   -52.35085
   12    10 S   HC   HB12    12     1.09816   110.50019    64.14895
   13    10 S   CT   _CG1    13     1.52973   112.68421  -173.56870
   14    13 S   HC   HG11    14     1.09589   110.27667   -65.82243
   15    13 S   HC   HG12    15     1.09654   110.06732    53.33632
   16    13 S   C    _CD1    16     1.51831   112.43474   173.55978
   17    16 S   O    _OE1    17     1.22704   123.31126    -5.26801
   18    16 S   N    _N2_    18     1.38571   111.53424   175.38790
   19    18 S   H    _HN2    19     1.01582   118.94522     0.40830
   20    18 S   CT1  _CA2    20     1.46257   123.56256   179.97202
   21    20 S   HC   _HA2    21     1.09713   109.56152   -10.86366
   22    20 S   C    _C2_    22     1.53457   108.01012  -126.65611
   23    22 S   O    _O2_    23     1.23018   122.33081  -144.47553
   24    20 S   CT   _CB2    32     1.53266   111.22049   111.57011
   25    24 S   HC   HB21    33     1.09505   109.10038    52.72748
   26    24 S   HC   HB22    34     1.09451   110.66421   171.78867
   27    22 S   N    _N3_    24     1.38524   113.34450    42.71148
   28    27 S   H    _HN3    25     1.01523   118.91367    -0.42382
   29    24 S   S    _SG2    35     1.82624   111.94995   -68.03528
   30    27 S   CT   _CA3    26     1.45444   123.44001   175.27963
   31    30 S   HC   HA31    27     1.09524   109.23705    24.46510
   32    30 S   HC   HA32    28     1.09496   107.12365   141.46690
   33    29 S   CT   _C17    36     1.86846    99.65589   163.16558
   34    33 S   HC   _H3_    37     1.08842   102.75866   -41.03888
   35    30 S   CO3  _C3_    29     1.52919   113.09959   -99.01389
   36    35 S   O2Z  _O31    30     1.26402   115.39545   -44.62638
   37    35 S   O2Z  _O32    31     1.26353   114.98264   136.29827
   38    33 S   CT   _C11    38     1.56391   109.04663    73.97888
   39    38 S   HC   _H33    39     1.09587   111.39163   117.32020
   40    38 S   HC   _H34    40     1.09911   108.92497     3.75181
   41    33 S   CT   _C18    62     1.58802   112.44165  -155.37140
   42    41 S   OM   _O22    63     1.32755   109.59455   -78.75925
   43    38 S   CT   _C14    41     1.55194   117.86626  -116.38066
   44    43 S   HC   _H38    42     1.09980   105.29143   147.45720
   45    41 S   CT   _C21    64     1.55121   114.09826    39.14287
   46    45 S   HC   _H48    65     1.09902   113.10930   -75.46669
   47    45 S   HC   _H49    66     1.09855   111.44569   164.94079
   48    45 S   HC   _H50    67     1.09192   112.17354    44.71571
   49    43 S   CM   _C5_    43     1.52547   113.16464   -96.21951
   50    43 S   OS   _O27    85     1.43851   111.21551    32.19190
   51    49 S   CM   _C4_    44     1.34838   128.37055    95.13681
   52    51 S   HC   _H30    45     1.09101   117.08627   179.04489
   53    49 S   CT   _C19    81     1.51372   113.24864   -85.71083
   54    53 S   HC   _H42    82     1.09513   110.18624   -61.27240
   55    53 S   HC   _H43    83     1.09520   112.67154   178.75557
   56    53 S   HC   _H44    84     1.09464   110.48995    58.69397
   57    50 S   CO4  _C9_    86     1.36385   117.56473   151.17066
   58    57 S   O    _O24    87     1.22332   126.53027    -0.49811
   59    51 S   CT   _C13    46     1.50155   129.85994    -2.74666
   60    59 S   HC   _H37    47     1.08952   112.00179    11.76779
   61    57 S   CT   _C20    88     1.49852   109.53310   178.26494
   62    61 S   HC   _H45    89     1.09249   109.67830   -68.81772
   63    61 S   HC   _H46    90     1.09373   109.32149   171.80389
   64    61 S   HC   _H47    91     1.09258   110.13842    53.13246
   65    59 S   CT   _C15    48     1.53897   112.93772  -115.66339
   66    65 S   HC   _H39    49     1.09933   110.72233   -26.09903
   67    65 S   CM   _C6_    50     1.49570   100.47370  -138.58593
   68    65 S   CT   _C16    57     1.55220   113.48137    96.63159
   69    68 S   HC   _H40    58     1.09702   109.25996   168.09939
   70    67 S   CO4  _C7_    51     1.47490   109.67844    15.95658
   71    70 S   O    _O23    52     1.21780   126.98756   173.74307
   72    67 S   CM   _C8_    54     1.33637   129.48476  -165.53049
   73    72 S   HC   _H31    55     1.08458   121.23074     0.20077
   74    72 S   HC   _H32    56     1.08528   121.79517  -179.40983
   75    68 S   CT   _C12    59     1.56004   111.21400   -74.93018
   76    75 S   HC   _H35    60     1.10364   105.15124   -98.56085
   77    75 S   HC   _H36    61     1.09549   109.91053    10.79146
   78    68 S   OS   _O28    68     1.44199   108.41432    48.72446
   79    59 S   OS   _O26    53     1.44211   107.08933   127.36016
   80    78 S   CO4  _C10    69     1.36401   119.81339   106.38637
   81    80 S   O    _O25    70     1.22268   126.18446     0.97358
   82    80 S   CT   _C24    71     1.51938   108.86491  -179.16772
   83    82 S   HC   _H57    72     1.09721   107.85337   -43.15802
   84    82 S   CT   _C22    73     1.52372   109.72993    76.25560
   85    84 S   HC   _H51    74     1.09567   111.23934    60.31032
   86    84 S   HC   _H52    75     1.09493   111.01283   -59.16377
   87    84 S   HC   _H53    76     1.09483   110.92259  -179.08614
   88    82 S   CT   _C23    77     1.52548   110.87287  -160.62676
   89    88 S   HC   _H54    78     1.09559   111.50631   -63.02423
   90    88 S   HC   _H55    79     1.09497   110.76844   176.57286
   91    88 S   HC   _H56    80     1.09551   110.74552    56.74911
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  13   6   5  13   8  13   5   7   3   2   1
  12   8  13   5   4   2   1   1   5   4  12   6   3   2   1   1
  15   8  10  11   5   5   2   3   1   1   4   2   1   6   1  11
   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    75    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    68    75    76    77    41    42    45    46    47    48    50  
   38    39    40    43    75    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    51    75    41    42    45    53    50    57  
   40    43    44    49    41    50  
   43    44    49    41    50  
   42    45    46    47    48    78    43    65    68    69    75    76    77  
   45    46    47    48    68    75    76    77  
   44    49    51    52    59    53    54    55    56    50    57    58    61  
   49    51    53    50    57  
   46    47    48    68    75    76    77  
   47    48    75  
   48    75  
   75  
   51    52    59    60    65    79    53    54    55    56    50    57  
   57    58    61    62    63    64    51    53  
   52    59    60    65    66    67    70    79    68    53    54    55    56  
   59    60    65    79    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    61    62    63    64  
   61    62    63    64  
   60    65    66    67    70    71    79    72    68    69    75    78  
   65    66    67    70    79    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    70    71    79    72    73    74    68    69    75    76    77    78    80  
   67    70    79    72    68    69    75    78  
   70    71    79    72    73    74    68    69    75    78  
   69    75    76    77    78    80    81    82    70    72    79  
   75    76    77    78    80  
   71    79    72    73    74  
   79    72  
   73    74    79  
   74  
    0  
   76    77    78    80  
   77    78  
   78  
   80    81    82    83    84    88  
    0  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    49   317.000  1.510
   43    50   320.000  1.410
   49    51   549.000  1.340
   49    53   317.000  1.510
   51    52   340.000  1.080
   51    59   317.000  1.510
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    79   320.000  1.410
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    68   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    79   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    41   268.000  1.529
   41    42   570.000  1.307
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   78    80   214.000  1.327
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   50    57   214.000  1.327
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    75    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    70.00000  112.02700
   38    43    50    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    51    70.00000  124.00000
   43    49    53    65.00000  117.92700
   43    50    57    83.00000  116.90000
   49    43    44    35.00000  109.50000
   49    51    52    35.00000  120.00000
   49    51    59    70.00000  124.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   51    59    60    35.00000  109.50000
   51    59    65    70.00000  112.02700
   51    59    79    85.00000  110.90400
   59    51    52    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    70.00000  112.02700
   59    65    68    58.35000  112.70000
   59    79    70    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    70    65.00000  116.34900
   65    67    72    70.00000  124.00000
   65    68    69    37.50000  110.70000
   65    68    75    58.35000  112.70000
   65    68    78    50.00000  109.50000
   67    65    66    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    79    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   79    59    60    35.00000  109.50000
   79    59    65    50.00000  109.50000
   79    70    71    83.00000  123.40000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   68    65    66    37.50000  110.70000
   68    65    67    70.00000  112.02700
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    41    58.35000  112.70000
   68    78    80    83.00000  116.90000
   75    68    69    37.50000  110.70000
   75    41    42    50.00000  109.50000
   75    41    45    58.35000  112.70000
   77    75    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    75    76    37.50000  110.70000
   41    75    77    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   78    68    69    35.00000  109.50000
   78    68    75    50.00000  109.50000
   78    80    81    83.00000  123.40000
   78    80    82    81.00000  111.40000
   80    82    83    35.00000  109.50000
   80    82    84    63.00000  111.10000
   80    82    88    63.00000  111.10000
   82    80    81    80.00000  120.40000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   53    49    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    49    85.00000  110.90400
   50    57    58    83.00000  123.40000
   50    57    61    81.00000  111.40000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    75   0.44750  1.0 1.0
   29    33    41    75  -0.17800 -1.0 2.0
   29    33    41    75   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    38    43    50   0.62750  1.0 1.0
   33    38    43    50  -0.30950 -1.0 2.0
   33    38    43    50   0.27300  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    75   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    75   0.56750  1.0 1.0
   38    33    41    75  -0.07550 -1.0 2.0
   38    33    41    75   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    51   0.09850  1.0 1.0
   38    43    49    51   0.15250 -1.0 2.0
   38    43    49    51  -0.50650  1.0 3.0
   38    43    49    53   0.46850  1.0 1.0
   38    43    49    53   0.08550 -1.0 2.0
   38    43    49    53   0.09800  1.0 3.0
   38    43    50    57  -0.25900  1.0 1.0
   38    43    50    57  -0.47000 -1.0 2.0
   38    43    50    57   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    50   0.23400  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   40    38    43    50   0.23400  1.0 3.0
   43    49    51    52   7.00000 -1.0 2.0
   43    49    51    59   7.00000 -1.0 2.0
   43    49    53    54   0.34800  1.0 3.0
   43    49    53    55   0.34800  1.0 3.0
   43    49    53    56   0.34800  1.0 3.0
   43    50    57    58   3.00000 -1.0 2.0
   43    50    57    61   1.63150  1.0 1.0
   43    50    57    61   2.92000 -1.0 2.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    53   0.34800  1.0 3.0
   44    43    50    57   0.08050  1.0 3.0
   49    43    50    57  -0.82050  1.0 1.0
   49    43    50    57   0.00600 -1.0 2.0
   49    43    50    57   0.04400  1.0 3.0
   49    51    59    60   0.00000  1.0 1.0
   49    51    59    65   0.09850  1.0 1.0
   49    51    59    65   0.15250 -1.0 2.0
   49    51    59    65  -0.50650  1.0 3.0
   49    51    59    79   0.39000  1.0 1.0
   49    51    59    79  -0.05800 -1.0 2.0
   49    51    59    79  -0.55150  1.0 3.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    55   0.00000  1.0 1.0
   51    49    53    56   0.00000  1.0 1.0
   51    59    65    66   0.15000  1.0 3.0
   51    59    65    67   0.31000  1.0 1.0
   51    59    65    67   0.14700 -1.0 2.0
   51    59    65    67   0.07550  1.0 3.0
   51    59    65    68   0.34400  1.0 1.0
   51    59    65    68   0.09450 -1.0 2.0
   51    59    65    68   0.11100  1.0 3.0
   51    59    79    70  -0.82050  1.0 1.0
   51    59    79    70   0.00600 -1.0 2.0
   51    59    79    70   0.04400  1.0 3.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    65   0.00000  1.0 1.0
   52    51    59    79   0.00000  1.0 1.0
   59    65   -67    70   0.09700  1.0 1.0
   59    65   -67    70   0.15600 -1.0 2.0
   59    65   -67    70  -0.50800  1.0 3.0
   59    65    67    72   0.09850  1.0 1.0
   59    65    67    72   0.15250 -1.0 2.0
   59    65    67    72  -0.50650  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    75   0.56750  1.0 1.0
   59    65    68    75  -0.07550 -1.0 2.0
   59    65    68    75   0.20000  1.0 3.0
   59    65    68    78   0.62750  1.0 1.0
   59    65    68    78  -0.30950 -1.0 2.0
   59    65    68    78   0.27300  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   60    59    79    70   0.08050  1.0 3.0
   65    59   -79    70  -0.25900  1.0 1.0
   65    59   -79    70  -0.47000 -1.0 2.0
   65    59   -79    70   0.11750  1.0 3.0
   65    67    70    71  -0.64400  1.0 1.0
   65    67    70    71   0.26850 -1.0 2.0
   65    67   -70    79  -0.15000  1.0 1.0
   65    67   -70    79   0.89550 -1.0 2.0
   65    67   -70    79  -0.06900  1.0 3.0
   65    67    72    73   7.00000 -1.0 2.0
   65    67    72    74   7.00000 -1.0 2.0
   65    68    75    76   0.15000  1.0 3.0
   65    68    75    77   0.15000  1.0 3.0
   65    68    75    41   0.56750  1.0 1.0
   65    68    75    41  -0.07550 -1.0 2.0
   65    68    75    41   0.20000  1.0 3.0
   65    68    78    80  -0.25900  1.0 1.0
   65    68    78    80  -0.47000 -1.0 2.0
   65    68    78    80   0.11750  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    75   0.15000  1.0 3.0
   66    65    68    78   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    75   0.34400  1.0 1.0
   67    65    68    75   0.09450 -1.0 2.0
   67    65    68    75   0.11100  1.0 3.0
   67    65    68    78   0.61850  1.0 1.0
   67    65    68    78  -0.22750 -1.0 2.0
   67    65    68    78   0.15300  1.0 3.0
   67    70   -79    59   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   71    70    79    59   3.00000 -1.0 2.0
   79    59    65    66   0.23400  1.0 3.0
   79    59   -65    67   0.61850  1.0 1.0
   79    59   -65    67  -0.22750 -1.0 2.0
   79    59   -65    67   0.15300  1.0 3.0
   79    59    65    68   0.62750  1.0 1.0
   79    59    65    68  -0.30950 -1.0 2.0
   79    59    65    68   0.27300  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    79  -0.56150  1.0 1.0
   72    67    70    79   2.19150 -1.0 2.0
   68    65    67    70   0.09700  1.0 1.0
   68    65    67    70   0.15600 -1.0 2.0
   68    65    67    70  -0.50800  1.0 3.0
   68    65    67    72   0.09850  1.0 1.0
   68    65    67    72   0.15250 -1.0 2.0
   68    65    67    72  -0.50650  1.0 3.0
   68    75    41    33   0.56750  1.0 1.0
   68    75    41    33  -0.07550 -1.0 2.0
   68    75    41    33   0.20000  1.0 3.0
   68    75    41    42   0.62750  1.0 1.0
   68    75    41    42  -0.30950 -1.0 2.0
   68    75    41    42   0.27300  1.0 3.0
   68    75    41    45   0.56750  1.0 1.0
   68    75    41    45  -0.07550 -1.0 2.0
   68    75    41    45   0.20000  1.0 3.0
   68    78    80    81   3.00000 -1.0 2.0
   68    78    80    82   1.63150  1.0 1.0
   68    78    80    82   2.92000 -1.0 2.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    41   0.15000  1.0 3.0
   69    68    78    80   0.08050  1.0 3.0
   75    68    78    80  -0.25900  1.0 1.0
   75    68    78    80  -0.47000 -1.0 2.0
   75    68    78    80   0.11750  1.0 3.0
   75    41    45    46   0.15000  1.0 3.0
   75    41    45    47   0.15000  1.0 3.0
   75    41    45    48   0.15000  1.0 3.0
   76    75    41    33   0.15000  1.0 3.0
   76    75    41    42   0.23400  1.0 3.0
   76    75    41    45   0.15000  1.0 3.0
   77    75    41    33   0.15000  1.0 3.0
   77    75    41    42   0.23400  1.0 3.0
   77    75    41    45   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    45    46   0.23400  1.0 3.0
   42    41    45    47   0.23400  1.0 3.0
   42    41    45    48   0.23400  1.0 3.0
   78    68    75    76   0.23400  1.0 3.0
   78    68    75    77   0.23400  1.0 3.0
   78    68    75    41   0.62750  1.0 1.0
   78    68    75    41  -0.30950 -1.0 2.0
   78    68    75    41   0.27300  1.0 3.0
   78    80    82    83   0.00000  1.0 1.0
   78    80    82    84   0.36750  1.0 3.0
   78    80    82    88   0.36750  1.0 3.0
   80    82    84    85  -0.11250  1.0 3.0
   80    82    84    86  -0.11250  1.0 3.0
   80    82    84    87  -0.11250  1.0 3.0
   80    82    88    89  -0.11250  1.0 3.0
   80    82    88    90  -0.11250  1.0 3.0
   80    82    88    91  -0.11250  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.30150 -1.0 2.0
   81    80    82    88   0.30150 -1.0 2.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    87   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   88    82    84    85   0.15000  1.0 3.0
   88    82    84    86   0.15000  1.0 3.0
   88    82    84    87   0.15000  1.0 3.0
   53    49    51    52   7.00000 -1.0 2.0
   53    49    51    59   7.00000 -1.0 2.0
   50    43    49    51   0.39000  1.0 1.0
   50    43    49    51  -0.05800 -1.0 2.0
   50    43    49    51  -0.55150  1.0 3.0
   50    43    49    53   0.09700  1.0 1.0
   50    43    49    53   0.15600 -1.0 2.0
   50    43    49    53  -0.50800  1.0 3.0
   50    57    61    62   0.00000  1.0 1.0
   50    57    61    63   0.00000  1.0 1.0
   50    57    61    64   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    64   0.00000  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   43    53    49    51   1.10000 -1.0 2.0
   59    52    51    49   1.10000 -1.0 2.0
   65    70    67    72   1.10000 -1.0 2.0
   67    79    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   50    61    57    58  10.50000 -1.0 2.0
END
