* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    165    253     477
    1     0 S   NP   _N1_     1    29.22196    92.28575   -18.31157
    2     1 S   H    _HN1     2     1.02985   117.08878    66.58941
    3     1 S   H    _H1_     3     1.02824    18.79912   127.69646
    4     1 S   H    _H2_     4     1.02775    89.34534   -43.62522
    5     1 S   CT   _CA1     5     1.50217   117.36505  -158.53392
    6     5 S   HC   _HA1     6     1.09568   105.33582    39.90214
    7     5 S   CO3  _C1_     7     1.53768   112.31515   -80.29736
    8     7 S   O2Z  _O11     8     1.26325   115.04220   -43.88081
    9     7 S   O2Z  _O12     9     1.26235   114.92743   135.42801
   10     5 S   CT   _CB1    10     1.53018   107.21762   157.66344
   11    10 S   HC   HB11    11     1.09799   109.16592   -52.97176
   12    10 S   HC   HB12    12     1.09616   110.03655    63.14113
   13    10 S   CT   _CG1    13     1.53089   113.33762  -174.86111
   14    13 S   HC   HG11    14     1.09517   110.08007   -61.10623
   15    13 S   HC   HG12    15     1.09579   110.54574    57.93247
   16    13 S   C    _CD1    16     1.51910   111.07234   177.28769
   17    16 S   O    _OE1    17     1.22837   122.34808   -37.77478
   18    16 S   N    _N2_    18     1.38499   112.69345   143.16908
   19    18 S   H    _HN2    19     1.01571   119.20548     1.31164
   20    18 S   CT1  _CA2    20     1.46449   123.46013  -177.00363
   21    20 S   HC   _HA2    21     1.09737   109.24144   -20.05202
   22    20 S   C    _C2_    22     1.53363   108.12533  -135.78687
   23    22 S   O    _O2_    23     1.22995   122.34518  -144.91039
   24    20 S   CT   _CB2    32     1.53670   111.41760   102.16651
   25    24 S   HC   HB21    33     1.09577   109.40074    53.27703
   26    24 S   HC   HB22    34     1.09474   110.88085   172.41545
   27    22 S   N    _N3_    24     1.38535   113.23873    42.38852
   28    27 S   H    _HN3    25     1.01541   118.92793    -0.42750
   29    24 S   S    _SG2    35     1.82672   111.41912   -67.76871
   30    27 S   CT   _CA3    26     1.45446   123.37698   175.11986
   31    30 S   HC   HA31    27     1.09528   109.14359    25.96247
   32    30 S   HC   HA32    28     1.09492   107.13865   142.96130
   33    29 S   CT   _C18    36     1.85731   100.34034   163.60416
   34    33 S   HC   _H3_    37     1.09351   105.58277   -18.78246
   35    30 S   CO3  _C3_    29     1.52936   113.21126   -97.44420
   36    35 S   O2Z  _O31    30     1.26395   115.46061   -43.01515
   37    35 S   O2Z  _O32    31     1.26363   114.94478   137.93558
   38    33 S   CT   _C16    38     1.54904   105.73453    94.92019
   39    38 S   HC   _H40    39     1.10001   108.67118   -42.78191
   40    38 S   CO4  _C10    40     1.51944   108.35502    73.47582
   41    40 S   O    _O22    41     1.23231   121.02276  -132.08136
   42    38 S   CT   _C24    80     1.53963   114.62015  -162.36047
   43    42 S   HC   _H52    81     1.09657   109.59396    45.25301
   44    42 S   HC   _H53    82     1.09472   111.40786   -73.14467
   45    40 S   CT   _C13    42     1.50920   117.95430    52.63183
   46    45 S   HC   _H35    43     1.09647   106.80840    79.03028
   47    45 S   HC   _H36    44     1.09704   107.12714  -166.24500
   48    42 S   CM   _C12    83     1.50497   111.97186   164.40729
   49    48 S   HC   _H34    84     1.08727   117.27654   -62.55574
   50    45 S   CO   _C20    45     1.53133   115.03037   -44.14679
   51    48 S   CM   _C11    85     1.33793   124.05196   118.00737
   52    51 S   HC   _H32    86     1.08474   120.46946   179.77971
   53    51 S   HC   _H33    87     1.08453   121.62979    -0.39466
   54    33 S   CT   _C19    46     1.57560   116.77423  -138.38919
   55    50 S   OS   _O27    75     1.45183   108.82240   157.75587
   56    54 S   CT   _C17    47     1.55341   117.81338    42.11645
   57    56 S   HC   _H41    48     1.09801   106.40288   158.23653
   58    54 S   OS   _O26    70     1.44319   108.95069   171.75833
   59    55 S   CT   _C23    76     1.42126   115.44117    60.63591
   60    59 S   HC   _H49    77     1.09360   107.91983   171.00379
   61    59 S   HC   _H50    78     1.09304   111.58962    52.20029
   62    59 S   HC   _H51    79     1.09315   110.87779   -71.09172
   63    56 S   CT   _C15    49     1.54860   103.78619   -85.94371
   64    63 S   HC   _H39    50     1.09455   110.12860    98.46204
   65    56 S   CT   _C21    66     1.52944   118.29640    39.41435
   66    65 S   HC   _H43    67     1.09069   113.03377   -71.40793
   67    65 S   HC   _H44    68     1.09463   110.12510   169.76653
   68    65 S   HC   _H45    69     1.09153   112.29267    50.50653
   69    58 S   CT   _C22    71     1.41614   118.24236   -76.73820
   70    69 S   HC   _H46    72     1.09394   107.76571   170.32275
   71    69 S   HC   _H47    73     1.09163   112.29838    51.72732
   72    69 S   HC   _H48    74     1.09271   110.64716   -72.56731
   73    63 S   CA   _C7_    51     1.51896   119.08988  -140.27646
   74    50 S   OS   _O25    65     1.43698   111.51342   -81.43192
   75    73 S   CA   _C4_    52     1.41966   118.16225   170.68949
   76    75 S   HA   _H29    53     1.08880   119.70912    -1.82338
   77    75 S   CA   _C5_    54     1.39810   121.81611   177.92406
   78    77 S   HA   _H30    55     1.08395   120.90386   179.77971
   79    77 S   CA   _C8_    56     1.37565   117.56259    -0.46478
   80    79 S   CA   _C9_    57     1.37341   121.51268    -0.11869
   81    73 S   CA   _C6_    58     1.40314   123.27862   -12.63712
   82    81 S   HA   _H31    59     1.08354   122.41741     1.36745
   83    80 S   OS   _O24    60     1.36145   112.28427  -179.40587
   84    83 S   CO   _C14    61     1.44176   101.00311    -0.43069
   85    84 S   HC   _H37    62     1.09611   108.71235  -120.26264
   86    84 S   HC   _H38    63     1.09604   108.65796   121.54550
   87    79 S   OS   _O23    64     1.36005   126.02906  -179.47923
  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
  20   8   2   1   1  16   8  12   5   9   4   3  10   5   4   4
   3  15   2   1   1  17   8  13   9   7   4   2   1   1  13   5
   5   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7
   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    54    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    54    56    57    63    74    65    58    69    55    42    43    44    48  
   38    39    40    50    54    56    58    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    50    54    56    58    42    43    44    48    49    51  
   40    41    45    54    42    43    44    48  
   41    45    46    47    50    54    74    55    42    43    44    48  
   45    46    47    50    42  
   43    44    48    49    51    52    53    45    54  
   44    48    49    51  
   48    49    51  
   46    47    50    54    56    63    74    58    55    59  
   47    50    54    74    55  
   50    54    74    55  
   49    51    52    53  
   51    52    53  
   54    56    57    63    64    73    74    65    58    69    55    59    60    61    62  
   52    53  
   53  
    0  
   56    57    63    64    73    74    65    66    67    68    58    69    70    71    72    55    59  
   59    60    61    62    56    58    63    74  
   57    63    64    73    75    81    74    65    66    67    68    58    69  
   63    64    73    74    65    66    67    68    58  
   69    70    71    72    63    65    74  
   60    61    62    74  
   61    62  
   62  
    0  
   64    73    75    76    77    80    81    82    74    65    66    67    68  
   73    75    81    74    65  
   66    67    68    73    74  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   75    76    77    78    79    80    81    82    83    74  
   75    81  
   76    77    78    79    80    81    82    87  
   77    78    79    81  
   78    79    80    81    83    84    87  
   79    80    87  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   250.000  1.527
   50    54   250.000  1.527
   50    74   320.000  1.380
   50    55   320.000  1.380
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   268.000  1.529
   63    64   340.000  1.090
   63    73   317.000  1.510
   63    74   320.000  1.410
   73    75   469.000  1.400
   73    81   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    87   450.000  1.364
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   83    84   320.000  1.380
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.380
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   58    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    53   340.000  1.080
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    54    50    75.00000  109.43000
   33    54    56    58.35000  112.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    50    63.00000  111.10000
   45    40    41    80.00000  120.40000
   45    50    54    65.00000  112.71400
   45    50    74    90.00000  108.56700
   45    50    55    90.00000  108.56700
   47    45    46    33.00000  107.80000
   50    45    46    45.00000  108.72000
   50    45    47    45.00000  108.72000
   50    54    56    75.00000  109.43000
   50    54    58    90.00000  109.38000
   50    74    63    60.00000  109.50000
   50    55    59    60.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    63    58.35000  112.70000
   54    56    65    58.35000  112.70000
   54    58    69    60.00000  109.50000
   56    63    64    37.50000  110.70000
   56    63    73    70.00000  112.17500
   56    63    74    50.00000  109.50000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    37.50000  110.70000
   63    56    57    37.50000  110.70000
   63    73    75    70.00000  120.00000
   63    73    81    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   73    81    80    63.00000  120.00000
   73    81    82    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    87    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    81    63.00000  120.00000
   79    80    83    70.00000  120.00000
   79    87    84   100.00000  112.36700
   80    81    82    35.00000  120.00000
   80    83    84   100.00000  112.36700
   81    73    75    63.00000  120.00000
   83    80    81    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    92.60000  111.55000
   86    84    85    33.00000  109.50000
   87    79    80    70.00000  120.00000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   74    50    54    90.00000  108.56700
   74    63    64    35.00000  109.50000
   74    63    73    85.00000  111.85700
   65    56    57    37.50000  110.70000
   65    56    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   58    54    56    50.00000  109.50000
   58    69    70    35.00000  109.50000
   58    69    71    35.00000  109.50000
   58    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   55    50    54    90.00000  108.56700
   55    50    74    92.60000  111.55000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    48    49    35.00000  117.00000
   42    48    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   51    48    49    35.00000  120.00000
   53    51    52    35.00000  117.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    56   0.44750  1.0 1.0
   29    33    54    56  -0.17800 -1.0 2.0
   29    33    54    56   0.20200  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.60050  1.0 1.0
   33    38    40    45   0.05600 -1.0 2.0
   33    38    40    45   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    54    56    57   0.15000  1.0 3.0
   33    54    56    63   0.56750  1.0 1.0
   33    54    56    63  -0.07550 -1.0 2.0
   33    54    56    63   0.20000  1.0 3.0
   33    54    56    65   0.56750  1.0 1.0
   33    54    56    65  -0.07550 -1.0 2.0
   33    54    56    65   0.20000  1.0 3.0
   33    54    58    69   0.06250  1.0 1.0
   33    54    58    69  -0.01100 -1.0 2.0
   33    54    58    69   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    50   3.97050  1.0 1.0
   38    33    54    56   0.56750  1.0 1.0
   38    33    54    56  -0.07550 -1.0 2.0
   38    33    54    56   0.20000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    47   0.00000  1.0 1.0
   38    40   -45    50   0.60050  1.0 1.0
   38    40   -45    50   0.05600 -1.0 2.0
   38    40   -45    50   0.26150  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    51   0.09850  1.0 1.0
   38    42    48    51   0.15250 -1.0 2.0
   38    42    48    51  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    48  -0.98800  1.0 1.0
   40    38    42    48   0.48800 -1.0 2.0
   40    38    42    48   0.76800  1.0 3.0
   40    45    50    54  -0.95700  1.0 1.0
   40    45    50    54  -0.18200 -1.0 2.0
   40    45    50    54   0.29450  1.0 3.0
   40    45    50    74  -0.09450  1.0 1.0
   40    45    50    74  -1.12950 -1.0 2.0
   40    45    50    74   0.54000  1.0 3.0
   40    45    50    55  -0.09450  1.0 1.0
   40    45    50    55  -1.12950 -1.0 2.0
   40    45    50    55   0.54000  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    45    50   0.30150 -1.0 2.0
   45    50   -54    33   0.56750  1.0 1.0
   45    50   -54    33  -0.07550 -1.0 2.0
   45    50   -54    33   0.20000  1.0 3.0
   45    50    54    56   0.56750  1.0 1.0
   45    50    54    56  -0.07550 -1.0 2.0
   45    50    54    56   0.20000  1.0 3.0
   45    50    54    58   0.62750  1.0 1.0
   45    50    54    58  -0.30950 -1.0 2.0
   45    50    54    58   0.27300  1.0 3.0
   45    50    74    63   0.06250  1.0 1.0
   45    50    74    63  -0.01100 -1.0 2.0
   45    50    74    63   0.28050  1.0 3.0
   45    50    55    59   0.06250  1.0 1.0
   45    50    55    59  -0.01100 -1.0 2.0
   45    50    55    59   0.28050  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    74   0.23400  1.0 3.0
   46    45    50    55   0.23400  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    74   0.23400  1.0 3.0
   47    45    50    55   0.23400  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54   -56    63   3.97050  1.0 1.0
   50    54    56    65   3.97050  1.0 1.0
   50    54    58    69   0.06250  1.0 1.0
   50    54    58    69  -0.01100 -1.0 2.0
   50    54    58    69   0.28050  1.0 3.0
   50    55    59    60   0.37050  1.0 3.0
   50    55    59    61   0.37050  1.0 3.0
   50    55    59    62   0.37050  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.56750  1.0 1.0
   54    33    38    42  -0.07550 -1.0 2.0
   54    33    38    42   0.20000  1.0 3.0
   54    50   -74    63   0.06250  1.0 1.0
   54    50   -74    63  -0.01100 -1.0 2.0
   54    50   -74    63   0.28050  1.0 3.0
   54    50    55    59   0.06250  1.0 1.0
   54    50    55    59  -0.01100 -1.0 2.0
   54    50    55    59   0.28050  1.0 3.0
   54    56    63    64   0.15000  1.0 3.0
   54    56    63    73  -0.03700  1.0 1.0
   54    56    63    73   0.37200 -1.0 2.0
   54    56    63    73  -0.47300  1.0 3.0
   54    56   -63    74   0.62750  1.0 1.0
   54    56   -63    74  -0.30950 -1.0 2.0
   54    56   -63    74   0.27300  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    67   0.15000  1.0 3.0
   54    56    65    68   0.15000  1.0 3.0
   54    58    69    70   0.37050  1.0 3.0
   54    58    69    71   0.37050  1.0 3.0
   54    58    69    72   0.37050  1.0 3.0
   56    54    58    69   0.06250  1.0 1.0
   56    54    58    69  -0.01100 -1.0 2.0
   56    54    58    69   0.28050  1.0 3.0
   56    63    73    75   0.04150 -1.0 2.0
   56    63    73    81   0.04150 -1.0 2.0
   56    63   -74    50   0.06250  1.0 1.0
   56    63   -74    50  -0.01100 -1.0 2.0
   56    63   -74    50   0.28050  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    73   0.43200  1.0 3.0
   57    56    63    74   0.23400  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   63    56    65    66   0.15000  1.0 3.0
   63    56    65    67   0.15000  1.0 3.0
   63    56    65    68   0.15000  1.0 3.0
   63    73    75    76   3.62500 -1.0 2.0
   63    73    75    77   3.62500 -1.0 2.0
   63    73    81    80   3.62500 -1.0 2.0
   63    73    81    82   3.62500 -1.0 2.0
   64    63    73    75   0.00000  1.0 1.0
   64    63    73    81   0.00000  1.0 1.0
   64    63    74    50   0.37050  1.0 3.0
   73    63    74    50   0.37500  1.0 3.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   75    73    81    80   3.62500 -1.0 2.0
   75    73    81    82   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    87   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    80    83   3.62500 -1.0 2.0
   77    79    87    84   1.63200 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    87   3.62500 -1.0 2.0
   79    80   -81    73   3.62500 -1.0 2.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80   -83    84   1.63200 -1.0 2.0
   80    79   -87    84   1.63200 -1.0 2.0
   80    83    84    85   0.08050  1.0 3.0
   80    83    84    86   0.08050  1.0 3.0
   80    83   -84    87  -0.25600  1.0 1.0
   80    83   -84    87  -0.40050 -1.0 2.0
   80    83   -84    87   0.34700  1.0 3.0
   81    73    75    76   3.62500 -1.0 2.0
   81    73   -75    77   3.62500 -1.0 2.0
   81    80    83    84   1.63200 -1.0 2.0
   83    80    81    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    84   -87    79  -0.25600  1.0 1.0
   83    84   -87    79  -0.40050 -1.0 2.0
   83    84   -87    79   0.34700  1.0 3.0
   85    84    87    79   0.08050  1.0 3.0
   86    84    87    79   0.08050  1.0 3.0
   87    79    80    81   3.62500 -1.0 2.0
   87    79   -80    83   3.62500 -1.0 2.0
   74    50    54    33   0.62750  1.0 1.0
   74    50    54    33  -0.30950 -1.0 2.0
   74    50    54    33   0.27300  1.0 3.0
   74    50   -54    56   0.62750  1.0 1.0
   74    50   -54    56  -0.30950 -1.0 2.0
   74    50   -54    56   0.27300  1.0 3.0
   74    50    54    58   1.11900  1.0 1.0
   74    50    54    58  -1.16350 -1.0 2.0
   74    50    54    58  -0.34150  1.0 3.0
   74    50    55    59  -0.53350  1.0 1.0
   74    50    55    59  -0.78350 -1.0 2.0
   74    50    55    59   0.33750  1.0 3.0
   74    63    73    75   0.64500  1.0 1.0
   74    63    73    75   0.14800 -1.0 2.0
   74    63    73    75   0.20650  1.0 3.0
   74    63    73    81   0.64500  1.0 1.0
   74    63    73    81   0.14800 -1.0 2.0
   74    63    73    81   0.20650  1.0 3.0
   65    56    63    64   0.15000  1.0 3.0
   65    56    63    73  -0.03700  1.0 1.0
   65    56    63    73   0.37200 -1.0 2.0
   65    56    63    73  -0.47300  1.0 3.0
   65    56    63    74   0.62750  1.0 1.0
   65    56    63    74  -0.30950 -1.0 2.0
   65    56    63    74   0.27300  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    63   0.62750  1.0 1.0
   58    54    56    63  -0.30950 -1.0 2.0
   58    54    56    63   0.27300  1.0 3.0
   58    54    56    65   0.62750  1.0 1.0
   58    54    56    65  -0.30950 -1.0 2.0
   58    54    56    65   0.27300  1.0 3.0
   55    50    54    33   0.62750  1.0 1.0
   55    50    54    33  -0.30950 -1.0 2.0
   55    50    54    33   0.27300  1.0 3.0
   55    50    54    56   0.62750  1.0 1.0
   55    50    54    56  -0.30950 -1.0 2.0
   55    50    54    56   0.27300  1.0 3.0
   55    50    54    58   1.11900  1.0 1.0
   55    50    54    58  -1.16350 -1.0 2.0
   55    50    54    58  -0.34150  1.0 3.0
   55    50    74    63  -0.53350  1.0 1.0
   55    50    74    63  -0.78350 -1.0 2.0
   55    50    74    63   0.33750  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.60050  1.0 1.0
   42    38    40    45   0.05600 -1.0 2.0
   42    38    40    45   0.26150  1.0 3.0
   42    48    51    52   7.00000 -1.0 2.0
   42    48    51    53   7.00000 -1.0 2.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    51   0.00000  1.0 1.0
   44    42    48    49   0.33100  1.0 3.0
   44    42    48    51   0.00000  1.0 1.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
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
   38    45    40    41  10.50000 -1.0 2.0
   75    81    73    63   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    87    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   80    82    81    73   1.10000 -1.0 2.0
   42    49    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
