* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    156    251     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    53.96939    90.50222
    3     1 S   H    _H1_     3     1.02124    58.19433  -112.91100
    4     1 S   H    _H2_     4     1.02068   106.60520   -10.86736
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.82741    98.20159  -178.15836
   34    33 S   HC   _H3_    37     1.08986   107.49047    34.00971
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C12    38     1.51252   107.67504   -80.03853
   39    38 S   O    _O22    39     1.23185   120.63924    88.55729
   40    38 S   CM   _C10    40     1.50278   118.99991   -88.55594
   41    40 S   CM   _C11    41     1.34830   120.76543    -7.12012
   42    40 S   CO4  _C16    71     1.47457   118.74283   171.86873
   43    42 S   O    _O24    72     1.22490   121.22705   121.07436
   44    41 S   CO4  _C13    42     1.49476   120.20984    -4.56493
   45    44 S   O    _O23    43     1.22933   120.36586   168.18183
   46    41 S   OS1  _O34    48     1.37878   125.60401   175.47870
   47    42 S   CM   _C15    73     1.48554   114.70096   -58.99992
   48    47 S   HC   _H39    74     1.08423   117.99262     0.07913
   49    33 S   CT   _C17    44     1.51967   113.79776   157.61092
   50    49 S   HC   _H40    45     1.11533   108.04494  -173.42049
   51    46 S   CO1  _C23    49     1.42741   114.78768   -89.96597
   52    51 S   HC   _H46    50     1.09631   107.47334    40.01121
   53    47 S   CM   _C14    75     1.34062   119.68537   179.41316
   54    53 S   HC   _H38    76     1.08813   120.20688    -0.74336
   55    49 S   OH   _O27    46     1.41421   110.89827   -55.99471
   56    55 S   HO   _H50    47     0.97205   106.90438  -175.82355
   57    51 S   CT   _C21    51     1.52856   107.81154   159.64918
   58    57 S   HC   _H44    52     1.09800   110.68491    51.32262
   59    53 S   CA   _C8_    77     1.47435   124.65603  -179.61285
   60    57 S   CT   _C19    53     1.52873   111.36039   173.88336
   61    60 S   HC   _H42    54     1.09768   110.83670    74.78950
   62    57 S   OH5  _O30    69     1.42650   109.50391   -66.31566
   63    62 S   HO   _H53    70     0.96984   106.45421   -61.61254
   64    59 S   CA   _C4_    78     1.39408   120.03134  -159.97952
   65    64 S   HA   _H34    79     1.08735   120.86130     0.09065
   66    60 S   CT   _C20    55     1.52861   111.24389   -48.54655
   67    66 S   HC   _H43    56     1.09735   108.88861   -72.59623
   68    60 S   OH5  _O28    67     1.42763   109.19899  -168.28664
   69    68 S   HO   _H51    68     0.96876   106.39987    61.38066
   70    64 S   CA   _C6_    80     1.39469   120.05699  -180.00000
   71    70 S   HA   _H36    81     1.08598   119.75054  -180.00000
   72    66 S   CT   _C22    57     1.53061   110.80204    49.49444
   73    72 S   HC   _H45    58     1.09812   110.47247    64.81127
   74    66 S   OH5  _O29    65     1.42451   108.10281   170.61659
   75    74 S   HO   _H52    66     0.97041   106.54788   -60.01986
   76    70 S   CA   _C9_    82     1.39569   119.93572     0.04423
   77    51 S   OS1  _O25    59     1.42604   109.80417   -79.92972
   78    72 S   CT   _C24    60     1.52487   112.27578  -175.04512
   79    78 S   HC   _H47    61     1.09066   109.94416    59.98747
   80    78 S   HC   _H48    62     1.08983   109.97030   -60.90182
   81    76 S   CA   _C7_    83     1.39435   120.02281     0.00000
   82    81 S   HA   _H37    84     1.08646   120.35724   179.98022
   83    76 S   OH   _O26    87     1.36076   119.98114   179.94766
   84    83 S   HO   _H49    88     0.97072   110.31608     0.05595
   85    78 S   OH5  _O33    63     1.41598   108.61149   179.51221
   86    85 S   HO   _H54    64     0.97184   107.09802   180.00000
   87    59 S   CA   _C5_    85     1.39489   119.94237    20.10162
   88    87 S   HA   _H35    86     1.08744   120.91644    -0.04846
  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   9   5   4   3
  12   7   2   1   1  11   4  11  13   8   3   7   4   9   6   3
   3   2  13   6   8   3   1   1  12   7   9  13   7   4   1   8
   4  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2
   5   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    50    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    50    55    56    42  
   38    39    40    44    49    50    55  
   36    37  
   37  
    0  
   39    40    41    44    49    50    55    46    42    43    47  
   40    41    49    42  
   41    44    45    49    46    51    42    43    47    48    53  
   44    45    49    50    55    46    51    52    57    77    42    43    47  
   43    47    48    53    54    59    44    46  
   47    48    53  
   45    49    50    55    56    46    51  
   49    50    55    46  
   51    52    57    58    60    72    77    62    49  
   48    53    54    59    64    87  
   53    54    59  
   50    55    56  
   55    56  
   52    57    58    60    61    66    72    73    77    78    68    62    63  
   57    58    60    72    77    62  
   54    59    64    65    70    81    87    88  
   59    64    87  
   56  
    0  
   58    60    61    66    67    72    77    74    68    69    62    63  
   60    61    66    77    68    62    63  
   64    65    70    71    76    81    82    87    88  
   61    66    67    72    73    77    78    74    75    68    69    62    63  
   66    67    72    74    68    69    62  
   63    66    68    77  
    0  
   65    70    71    76    81    87    88    83  
   70    71    76    87  
   67    72    73    77    78    79    80    85    74    75    68    69  
   72    73    77    78    74    75    68  
   69    72    74  
    0  
   71    76    81    82    87    83    84  
   76    81    83  
   73    77    78    79    80    85    86    74    75  
   77    78    79    80    85    74  
   75    77    78  
    0  
   81    82    87    88    83    84  
   78    79    80    85  
   79    80    85    86  
   80    85    86  
   85    86  
   82    87    88    83    84  
   87    88    83  
   84    87  
    0  
   86  
    0  
   88  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   320.000  1.462
   41    44   320.000  1.462
   41    46   440.000  1.360
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   46    51   370.000  1.399
   51    52   360.000  1.097
   51    57   255.000  1.525
   51    77   370.000  1.399
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    62   355.000  1.421
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   355.000  1.421
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    74   355.000  1.421
   72    73   340.000  1.090
   72    77   335.000  1.422
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   355.000  1.421
   85    86   580.000  0.967
   74    75   580.000  0.967
   68    69   580.000  0.967
   62    63   580.000  0.967
   42    43   570.000  1.229
   42    47   320.000  1.462
   47    48   340.000  1.080
   47    53   549.000  1.340
   53    54   340.000  1.080
   53    59   320.000  1.460
   59    64   469.000  1.400
   59    87   469.000  1.400
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    81   469.000  1.400
   76    83   450.000  1.364
   81    82   367.000  1.080
   81    87   469.000  1.400
   87    88   367.000  1.080
   83    84   553.000  0.945
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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    49    44    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    44    65.00000  118.96000
   40    41    46    80.00000  120.01400
   40    42    43    80.00000  123.72100
   40    42    47    65.00000  118.65900
   41    44    45    80.00000  123.72100
   41    44    49    65.00000  118.62400
   41    46    51    90.00000  111.18400
   44    49    50    35.00000  109.50000
   44    49    55    90.00000  109.61100
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   46    41    44    85.00000  116.28000
   46    51    52    60.00000  105.75400
   46    51    57    90.00000  109.70700
   46    51    77   110.00000  113.16000
   51    57    58    45.00000  109.54000
   51    57    60    70.00000  111.10000
   51    57    62    90.00000  109.42000
   51    77    72    90.00000  112.10700
   57    51    52    45.00000  111.65000
   57    60    61    37.50000  110.70000
   57    60    66    58.35000  112.70000
   57    60    68    90.00000  111.45300
   57    62    63    65.00000  108.53500
   60    57    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    72    58.35000  112.70000
   60    66    74    90.00000  111.45300
   60    68    69    65.00000  108.53500
   66    60    61    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    77    95.00000  107.88500
   66    72    78    58.35000  112.70000
   66    74    75    65.00000  108.53500
   72    66    67    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    85    90.00000  111.45300
   77    51    52    60.00000  105.75400
   77    51    57    90.00000  109.70700
   77    72    73    55.00000  108.98800
   78    72    73    37.50000  110.70000
   78    72    77    95.00000  107.88500
   78    85    86    65.00000  108.53500
   80    78    79    33.00000  107.80000
   85    78    79    60.00000  109.39000
   85    78    80    60.00000  109.39000
   74    66    67    60.00000  109.39000
   74    66    72    90.00000  111.45300
   68    60    61    60.00000  109.39000
   68    60    66    90.00000  111.45300
   62    57    58    60.00000  109.39000
   62    57    60    90.00000  111.45300
   42    40    41    65.00000  118.96000
   42    47    48    40.00000  117.72500
   42    47    53    65.00000  118.96000
   47    42    43    80.00000  123.72100
   47    53    54    35.00000  120.00000
   47    53    59    60.00000  123.20500
   53    47    48    35.00000  120.00000
   53    59    64    60.00000  120.93500
   53    59    87    60.00000  120.93500
   59    53    54    40.00000  117.26300
   59    64    65    35.00000  120.00000
   59    64    70    63.00000  120.00000
   59    87    81    63.00000  120.00000
   59    87    88    35.00000  120.00000
   64    70    71    35.00000  120.00000
   64    70    76    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    76    81    63.00000  120.00000
   70    76    83    70.00000  120.00000
   76    70    71    35.00000  120.00000
   76    81    82    35.00000  120.00000
   76    81    87    63.00000  120.00000
   76    83    84    35.00000  113.00000
   81    87    88    35.00000  120.00000
   87    59    64    63.00000  120.00000
   87    81    82    35.00000  120.00000
   83    76    81    70.00000  120.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   1.50000 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    44  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    44   0.11950  1.0 1.0
   38    33    49    44   0.20300 -1.0 2.0
   38    33    49    44  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    55  -0.09450  1.0 1.0
   38    33    49    55  -1.12950 -1.0 2.0
   38    33    49    55   0.54000  1.0 3.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    41    46   7.00000 -1.0 2.0
   38    40    42    43   2.50000 -1.0 2.0
   38    40    42    47   1.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42   2.50000 -1.0 2.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    49  -0.33500  1.0 1.0
   40    41    44    49   1.06600 -1.0 2.0
   40    41    44    49  -0.14000  1.0 3.0
   40    41    46    51  -2.26850  1.0 1.0
   40    41    46    51   3.39050 -1.0 2.0
   40    42    47    48   0.93700 -1.0 2.0
   40    42    47    53  -1.18350  1.0 1.0
   40    42    47    53   1.45950 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    47  -1.18350  1.0 1.0
   41    40    42    47   1.45950 -1.0 2.0
   41    44   -49    33   0.65300  1.0 1.0
   41    44   -49    33  -0.03850 -1.0 2.0
   41    44   -49    33   0.33900  1.0 3.0
   41    44    49    50   0.00000  1.0 1.0
   41    44    49    55   0.65300  1.0 1.0
   41    44    49    55  -0.03850 -1.0 2.0
   41    44    49    55   0.33900  1.0 3.0
   41    46    51    52   0.08050  1.0 3.0
   41    46    51    57  -0.46850  1.0 1.0
   41    46    51    57   0.09300 -1.0 2.0
   41    46    51    57  -0.12850  1.0 3.0
   41    46    51    77  -0.48150  1.0 1.0
   41    46    51    77   0.09250 -1.0 2.0
   41    46    51    77  -0.12850  1.0 3.0
   44    41    46    51   0.15100 -1.0 2.0
   44    49    55    56   0.91850  1.0 1.0
   44    49    55    56   0.57950  1.0 3.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    55   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   46    41    44    45  -0.11900  1.0 1.0
   46    41    44    45   0.76850 -1.0 2.0
   46    41    44    45   0.14100  1.0 3.0
   46    41    44    49   0.32450 -1.0 2.0
   46    41    44    49   0.17400  1.0 3.0
   46    51    57    58   0.23400  1.0 3.0
   46    51    57    60   0.62750  1.0 1.0
   46    51    57    60  -0.30950 -1.0 2.0
   46    51    57    60   0.27300  1.0 3.0
   46    51    57    62   1.51850  1.0 1.0
   46    51    77    72  -0.70400  1.0 1.0
   46    51    77    72  -0.90350 -1.0 2.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    66   0.56750  1.0 1.0
   51    57    60    66  -0.07550 -1.0 2.0
   51    57    60    66   0.20000  1.0 3.0
   51    57    60    68  -0.47750  1.0 1.0
   51    57    62    63   0.29150  1.0 1.0
   51    57    62    63  -0.28350 -1.0 2.0
   51    57    62    63   0.43600  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    62   0.23400  1.0 3.0
   52    51    77    72   0.37050  1.0 3.0
   57    51    77    72   0.06250  1.0 1.0
   57    51    77    72  -0.01100 -1.0 2.0
   57    51    77    72   0.28050  1.0 3.0
   57    60    66    67   0.15000  1.0 3.0
   57    60   -66    72   0.56750  1.0 1.0
   57    60   -66    72  -0.07550 -1.0 2.0
   57    60   -66    72   0.20000  1.0 3.0
   57    60    66    74  -0.47750  1.0 1.0
   57    60    68    69   0.29150  1.0 1.0
   57    60    68    69  -0.28350 -1.0 2.0
   57    60    68    69   0.43600  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    66   0.15000  1.0 3.0
   58    57    60    68   0.23400  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   60    57    62    63   0.29150  1.0 1.0
   60    57    62    63  -0.28350 -1.0 2.0
   60    57    62    63   0.43600  1.0 3.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    77   0.62750  1.0 1.0
   60    66    72    77  -0.30950 -1.0 2.0
   60    66    72    77   0.27300  1.0 3.0
   60    66    72    78   0.56750  1.0 1.0
   60    66    72    78  -0.07550 -1.0 2.0
   60    66    72    78   0.20000  1.0 3.0
   60    66    74    75   0.29150  1.0 1.0
   60    66    74    75  -0.28350 -1.0 2.0
   60    66    74    75   0.43600  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   61    60    66    74   0.23400  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   66    60    68    69   0.29150  1.0 1.0
   66    60    68    69  -0.28350 -1.0 2.0
   66    60    68    69   0.43600  1.0 3.0
   66    72   -77    51   0.06250  1.0 1.0
   66    72   -77    51  -0.01100 -1.0 2.0
   66    72   -77    51   0.28050  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    85  -0.47750  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    77   0.23400  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   67    66    74    75   0.19450  1.0 3.0
   72    66    74    75   0.29150  1.0 1.0
   72    66    74    75  -0.28350 -1.0 2.0
   72    66    74    75   0.43600  1.0 3.0
   72    78    85    86   0.29150  1.0 1.0
   72    78    85    86  -0.28350 -1.0 2.0
   72    78    85    86   0.43600  1.0 3.0
   73    72    77    51   0.37050  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    85   0.23400  1.0 3.0
   77    51    57    58   0.23400  1.0 3.0
   77    51   -57    60   0.62750  1.0 1.0
   77    51   -57    60  -0.30950 -1.0 2.0
   77    51   -57    60   0.27300  1.0 3.0
   77    51    57    62   1.51850  1.0 1.0
   77    72    78    79   0.23400  1.0 3.0
   77    72    78    80   0.23400  1.0 3.0
   77    72    78    85   1.51850  1.0 1.0
   78    72    77    51   0.06250  1.0 1.0
   78    72    77    51  -0.01100 -1.0 2.0
   78    72    77    51   0.28050  1.0 3.0
   79    78    85    86   0.19450  1.0 3.0
   80    78    85    86   0.19450  1.0 3.0
   74    66    72    73   0.23400  1.0 3.0
   74    66    72    77   1.51850  1.0 1.0
   74    66    72    78  -0.47750  1.0 1.0
   68    60    66    67   0.23400  1.0 3.0
   68    60    66    72  -0.47750  1.0 1.0
   68    60    66    74   3.77950  1.0 1.0
   62    57    60    61   0.23400  1.0 3.0
   62    57    60    66  -0.47750  1.0 1.0
   62    57    60    68   3.77950  1.0 1.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    46   7.00000 -1.0 2.0
   42    47    53    54   7.00000 -1.0 2.0
   42    47    53    59   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    53   1.00000 -1.0 2.0
   47    53    59    64   0.15800  1.0 1.0
   47    53    59    64   1.85350 -1.0 2.0
   47    53    59    64  -0.48700  1.0 3.0
   47    53    59    87   0.15800  1.0 1.0
   47    53    59    87   1.85350 -1.0 2.0
   47    53    59    87  -0.48700  1.0 3.0
   48    47    53    54   7.00000 -1.0 2.0
   48    47    53    59   7.00000 -1.0 2.0
   53    59    64    65   3.62500 -1.0 2.0
   53    59    64    70   3.62500 -1.0 2.0
   53    59    87    81   3.62500 -1.0 2.0
   53    59    87    88   3.62500 -1.0 2.0
   54    53    59    64   0.56550  1.0 3.0
   54    53    59    87   0.56550  1.0 3.0
   59    64    70    71   3.62500 -1.0 2.0
   59    64    70    76   3.62500 -1.0 2.0
   64    59    87    81   3.62500 -1.0 2.0
   64    59    87    88   3.62500 -1.0 2.0
   64    70   -76    81   3.62500 -1.0 2.0
   64    70    76    83   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    76   3.62500 -1.0 2.0
   70    76    81    82   3.62500 -1.0 2.0
   70    76    81    87   3.62500 -1.0 2.0
   70    76    83    84   0.84100 -1.0 2.0
   71    70    76    81   3.62500 -1.0 2.0
   71    70    76    83   3.62500 -1.0 2.0
   76    81   -87    59   3.62500 -1.0 2.0
   76    81    87    88   3.62500 -1.0 2.0
   81    76    83    84   0.84100 -1.0 2.0
   82    81    87    59   3.62500 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   87    59    64    65   3.62500 -1.0 2.0
   87    59   -64    70   3.62500 -1.0 2.0
   83    76    81    82   3.62500 -1.0 2.0
   83    76    81    87   3.62500 -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
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   44    46    41    40   1.10000 -1.0 2.0
   41    49    44    45  10.50000 -1.0 2.0
   40    47    42    43  10.50000 -1.0 2.0
   42    48    47    53  15.00000 -1.0 2.0
   59    54    53    47  15.00000 -1.0 2.0
   64    87    59    53   4.00000 -1.0 2.0
   70    65    64    59   1.10000 -1.0 2.0
   76    71    70    64   1.10000 -1.0 2.0
   81    83    76    70   4.00000 -1.0 2.0
   87    82    81    76   1.10000 -1.0 2.0
   81    88    87    59   1.10000 -1.0 2.0
END
