* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    156    253     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02000    86.23752    46.29298
    3     1 S   H    _H1_     3     1.02160    33.45159   179.35350
    4     1 S   H    _H2_     4     1.02065    93.97422   -62.20709
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C23    36     1.83927    97.64989   161.85815
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C12    37     1.52575   106.47756    59.96469
   38    37 S   O    _O22    38     1.23155   122.55971   -87.93749
   39    33 S   CO4  _C16    71     1.50722   105.85313   -59.60701
   40    39 S   O    _O24    72     1.22934   121.08601   -32.99708
   41    37 S   CM   _C10    39     1.48575   118.83033    89.00996
   42    41 S   HC   _H38    40     1.08575   116.71867  -170.36587
   43    39 S   CM   _C15    73     1.49028   116.67924   145.70670
   44    43 S   HC   _H40    74     1.08428   117.15912    29.23370
   45    41 S   CM   _C11    41     1.33688   122.43079     7.94228
   46    43 S   CM   _C14    75     1.34020   120.30994  -149.96983
   47    46 S   HC   _H39    76     1.08712   120.37501     0.79672
   48    45 S   CO4  _C13    42     1.48500   120.48689     3.09573
   49    48 S   O    _O23    43     1.23011   120.05376  -169.16775
   50    45 S   OH   _O27    69     1.37833   122.65502  -177.06168
   51    50 S   HO   _H50    70     0.96330   109.91905  -179.96574
   52    46 S   CA   _C8_    77     1.47395   124.39209   179.50425
   53    33 S   CT   _C17    44     1.53279   112.46512  -178.98490
   54    53 S   HC   _H41    45     1.09932   109.73681   170.32346
   55    52 S   CA   _C4_    78     1.39516   119.95616  -160.01712
   56    55 S   HA   _H34    79     1.08755   120.87684     0.02798
   57    53 S   OS1  _O34    46     1.42007   111.51636    51.87814
   58    55 S   CA   _C6_    80     1.39525   119.96063  -179.95154
   59    58 S   HA   _H36    81     1.08649   119.64655   179.98022
   60    57 S   CO1  _C22    47     1.42716   111.29715   119.97379
   61    60 S   HC   _H46    48     1.09743   107.39861    60.07534
   62    58 S   CA   _C9_    82     1.39506   119.99794    -0.03956
   63    60 S   CT   _C20    49     1.52877   107.80944   179.64282
   64    63 S   HC   _H44    50     1.09709   110.67670    51.40988
   65    62 S   CA   _C7_    83     1.39470   120.00505     0.02798
   66    65 S   HA   _H37    84     1.08606   120.31695   179.98022
   67    62 S   OH   _O26    87     1.36142   119.94925  -179.98022
   68    67 S   HO   _H49    88     0.96933   110.30207     0.02798
   69    63 S   CT   _C18    51     1.52926   111.32621   173.95649
   70    69 S   HC   _H42    52     1.09739   110.90663    74.82898
   71    63 S   OH5  _O30    67     1.42691   109.52057   -66.25768
   72    71 S   HO   _H53    68     0.96955   106.40857   -61.59837
   73    52 S   CA   _C5_    85     1.39404   120.02371    20.03483
   74    73 S   HA   _H35    86     1.08760   120.84182    -0.06853
   75    69 S   CT   _C19    53     1.52780   111.19923   -48.57817
   76    75 S   HC   _H43    54     1.09800   108.98528   -72.58806
   77    69 S   OH5  _O28    65     1.42871   109.13665  -168.28969
   78    77 S   HO   _H51    66     0.96930   106.34940    61.42600
   79    75 S   CT   _C21    55     1.53046   110.83327    49.56538
   80    79 S   HC   _H45    56     1.09880   110.49730    64.73223
   81    75 S   OH5  _O29    63     1.42570   108.05133   170.63775
   82    81 S   HO   _H52    64     0.96934   106.51924   -60.00208
   83    60 S   OS1  _O25    57     1.42559   109.83690   -59.86733
   84    79 S   CT   _C24    58     1.52522   112.29448  -175.11432
   85    84 S   HC   _H47    59     1.08978   109.94087   -59.98641
   86    84 S   HC   _H48    60     1.08991   109.96934   179.06707
   87    84 S   OH5  _O33    61     1.41644   108.52017    59.54819
   88    87 S   HO   _H54    62     0.97331   107.02082  -179.97202
  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  11   5   4   3
  16   2   1   1  12   5  11   4   7   3   7   3   7   8   3   7
   4   2   1   9   6   2   8   4   8   7   3  13   6   6  12   7
   5   3   2   1  13   7   4   1   1   1  12   7   3   1   9   6
   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    53    54    57    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    48    49    53    54    57    60    39    40    43    44    46  
   35    36  
   36  
    0  
   38    41    42    45    48    53    54    57    50    39    40    43  
   41    42    45    53    39  
   40    43    44    46    47    52    41    48    53    54    57  
   43    44    46    53  
   42    45    48    49    53    50    51  
   45    48    50  
   44    46    47    52    55    73    53  
   46    47    52  
   48    49    53    54    57    50    51  
   47    52    55    56    58    65    73    74  
   52    55    73  
   49    53    54    57    60    50    51  
   53    54    57    50  
   51    53  
    0  
   55    56    58    59    62    65    66    73    74  
   54    57    60    61    63    83  
   57    60  
   56    58    59    62    65    73    74    67  
   58    59    62    73  
   60    61    63    64    69    79    83    71  
   59    62    65    66    73    67    68  
   62    65    67  
   61    63    64    69    70    75    79    80    83    84    77    71    72  
   63    64    69    79    83    71  
   65    66    73    74    67    68  
   64    69    70    75    76    79    83    81    77    78    71    72  
   69    70    75    83    77    71    72  
   66    73    74    67    68  
   73    74    67  
   68    73  
    0  
   70    75    76    79    80    83    84    81    82    77    78    71    72  
   75    76    79    81    77    78    71  
   72    75    77    83  
    0  
   74  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    53   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    48   320.000  1.462
   45    50   510.000  1.338
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    54   340.000  1.090
   53    57   335.000  1.422
   57    60   370.000  1.399
   60    61   360.000  1.097
   60    63   255.000  1.525
   60    83   370.000  1.399
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    71   355.000  1.421
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   355.000  1.421
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   355.000  1.421
   79    80   340.000  1.090
   79    83   335.000  1.422
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   355.000  1.421
   87    88   580.000  0.967
   81    82   580.000  0.967
   77    78   580.000  0.967
   71    72   580.000  0.967
   50    51   553.000  0.945
   39    40   570.000  1.229
   39    43   320.000  1.462
   43    44   340.000  1.080
   43    46   549.000  1.340
   46    47   340.000  1.080
   46    52   320.000  1.460
   52    55   469.000  1.400
   52    73   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    65   469.000  1.400
   62    67   450.000  1.364
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   367.000  1.080
   67    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    53    48    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    57    95.00000  107.88500
   33    39    40    80.00000  120.40000
   33    39    43    65.00000  118.62400
   37    41    42    40.00000  117.72500
   37    41    45    65.00000  118.96000
   41    37    38    80.00000  123.72100
   41    45    48    65.00000  118.96000
   41    45    50    80.00000  121.38400
   45    41    42    35.00000  120.00000
   45    48    49    80.00000  123.72100
   45    48    53    65.00000  118.62400
   45    50    51    70.00000  107.45700
   48    53    54    35.00000  109.50000
   48    53    57    90.00000  108.74100
   53    33    37    63.00000  111.10000
   53    48    49    80.00000  120.40000
   53    57    60    90.00000  112.10700
   57    53    54    55.00000  108.98800
   57    60    61    60.00000  105.75400
   57    60    63    90.00000  109.70700
   57    60    83   110.00000  113.16000
   60    63    64    45.00000  109.54000
   60    63    69    70.00000  111.10000
   60    63    71    90.00000  109.42000
   60    83    79    90.00000  112.10700
   63    60    61    45.00000  111.65000
   63    69    70    37.50000  110.70000
   63    69    75    58.35000  112.70000
   63    69    77    90.00000  111.45300
   63    71    72    65.00000  108.53500
   69    63    64    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    79    58.35000  112.70000
   69    75    81    90.00000  111.45300
   69    77    78    65.00000  108.53500
   75    69    70    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    95.00000  107.88500
   75    79    84    58.35000  112.70000
   75    81    82    65.00000  108.53500
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    90.00000  111.45300
   83    60    61    60.00000  105.75400
   83    60    63    90.00000  109.70700
   83    79    80    55.00000  108.98800
   84    79    80    37.50000  110.70000
   84    79    83    95.00000  107.88500
   84    87    88    65.00000  108.53500
   86    84    85    33.00000  107.80000
   87    84    85    60.00000  109.39000
   87    84    86    60.00000  109.39000
   81    75    76    60.00000  109.39000
   81    75    79    90.00000  111.45300
   77    69    70    60.00000  109.39000
   77    69    75    90.00000  111.45300
   71    63    64    60.00000  109.39000
   71    63    69    90.00000  111.45300
   50    45    48    85.00000  116.28000
   39    33    37    75.00000  107.99600
   39    33    53    63.00000  111.10000
   39    43    44    40.00000  117.72500
   39    43    46    65.00000  118.96000
   43    39    40    80.00000  123.72100
   43    46    47    35.00000  120.00000
   43    46    52    60.00000  123.20500
   46    43    44    35.00000  120.00000
   46    52    55    60.00000  120.93500
   46    52    73    60.00000  120.93500
   52    46    47    40.00000  117.26300
   52    55    56    35.00000  120.00000
   52    55    58    63.00000  120.00000
   52    73    65    63.00000  120.00000
   52    73    74    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    62    65    63.00000  120.00000
   58    62    67    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    73    63.00000  120.00000
   62    67    68    35.00000  113.00000
   65    73    74    35.00000  120.00000
   73    52    55    63.00000  120.00000
   73    65    66    35.00000  120.00000
   67    62    65    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    43   0.65300  1.0 1.0
   29    33    39    43  -0.03850 -1.0 2.0
   29    33    39    43   0.33900  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    45  -0.33500  1.0 1.0
   33    37    41    45   1.06600 -1.0 2.0
   33    37    41    45  -0.14000  1.0 3.0
   33    53    57    60   0.06250  1.0 1.0
   33    53    57    60  -0.01100 -1.0 2.0
   33    53    57    60   0.28050  1.0 3.0
   33    39    43    44   0.04550  1.0 1.0
   33    39    43    44   0.83000 -1.0 2.0
   33    39    43    44  -0.04000  1.0 3.0
   33    39    43    46  -0.33500  1.0 1.0
   33    39    43    46   1.06600 -1.0 2.0
   33    39    43    46  -0.14000  1.0 3.0
   37    33    53    48   0.11950  1.0 1.0
   37    33    53    48   0.20300 -1.0 2.0
   37    33    53    48  -0.70800  1.0 3.0
   37    33    53    54  -0.11250  1.0 3.0
   37    33    53    57  -0.09450  1.0 1.0
   37    33    53    57  -1.12950 -1.0 2.0
   37    33    53    57   0.54000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    43   0.65300  1.0 1.0
   37    33    39    43  -0.03850 -1.0 2.0
   37    33    39    43   0.33900  1.0 3.0
   37    41   -45    48   7.00000 -1.0 2.0
   37    41    45    50   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   1.00000 -1.0 2.0
   41    45    48    49   1.00000 -1.0 2.0
   41    45    48    53  -0.33500  1.0 1.0
   41    45    48    53   1.06600 -1.0 2.0
   41    45    48    53  -0.14000  1.0 3.0
   41    45    50    51  -0.66100  1.0 1.0
   41    45    50    51   1.20850 -1.0 2.0
   41    45    50    51  -0.36000  1.0 3.0
   42    41    45    48   7.00000 -1.0 2.0
   42    41    45    50   7.00000 -1.0 2.0
   45    48   -53    33   0.65300  1.0 1.0
   45    48   -53    33  -0.03850 -1.0 2.0
   45    48   -53    33   0.33900  1.0 3.0
   45    48    53    54   0.00000  1.0 1.0
   45    48    53    57   0.65300  1.0 1.0
   45    48    53    57  -0.03850 -1.0 2.0
   45    48    53    57   0.33900  1.0 3.0
   48    45    50    51   2.00000 -1.0 2.0
   48    53    57    60  -1.11000  1.0 1.0
   48    53    57    60   0.50250 -1.0 2.0
   48    53    57    60   0.47450  1.0 3.0
   49    48    53    33   0.30150 -1.0 2.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    57   0.30150 -1.0 2.0
   53    33    37    38   0.30150 -1.0 2.0
   53    33   -37    41   0.65300  1.0 1.0
   53    33   -37    41  -0.03850 -1.0 2.0
   53    33   -37    41   0.33900  1.0 3.0
   53    33    39    40   0.30150 -1.0 2.0
   53    33    39    43   0.65300  1.0 1.0
   53    33    39    43  -0.03850 -1.0 2.0
   53    33    39    43   0.33900  1.0 3.0
   53    57    60    61   0.37050  1.0 3.0
   53    57    60    63   0.06250  1.0 1.0
   53    57    60    63  -0.01100 -1.0 2.0
   53    57    60    63   0.28050  1.0 3.0
   53    57    60    83  -0.12700  1.0 1.0
   53    57    60    83  -1.16200 -1.0 2.0
   53    57    60    83   0.58800  1.0 3.0
   54    53    57    60   0.37050  1.0 3.0
   57    60    63    64   0.23400  1.0 3.0
   57    60    63    69   0.62750  1.0 1.0
   57    60    63    69  -0.30950 -1.0 2.0
   57    60    63    69   0.27300  1.0 3.0
   57    60    63    71   1.51850  1.0 1.0
   57    60    83    79  -0.70400  1.0 1.0
   57    60    83    79  -0.90350 -1.0 2.0
   60    63    69    70   0.15000  1.0 3.0
   60    63    69    75   0.56750  1.0 1.0
   60    63    69    75  -0.07550 -1.0 2.0
   60    63    69    75   0.20000  1.0 3.0
   60    63    69    77  -0.47750  1.0 1.0
   60    63    71    72   0.29150  1.0 1.0
   60    63    71    72  -0.28350 -1.0 2.0
   60    63    71    72   0.43600  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    69   0.15000  1.0 3.0
   61    60    63    71   0.23400  1.0 3.0
   61    60    83    79   0.37050  1.0 3.0
   63    60    83    79   0.06250  1.0 1.0
   63    60    83    79  -0.01100 -1.0 2.0
   63    60    83    79   0.28050  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69   -75    79   0.56750  1.0 1.0
   63    69   -75    79  -0.07550 -1.0 2.0
   63    69   -75    79   0.20000  1.0 3.0
   63    69    75    81  -0.47750  1.0 1.0
   63    69    77    78   0.29150  1.0 1.0
   63    69    77    78  -0.28350 -1.0 2.0
   63    69    77    78   0.43600  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   64    63    69    77   0.23400  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   69    63    71    72   0.29150  1.0 1.0
   69    63    71    72  -0.28350 -1.0 2.0
   69    63    71    72   0.43600  1.0 3.0
   69    75    79    80   0.15000  1.0 3.0
   69    75    79    83   0.62750  1.0 1.0
   69    75    79    83  -0.30950 -1.0 2.0
   69    75    79    83   0.27300  1.0 3.0
   69    75    79    84   0.56750  1.0 1.0
   69    75    79    84  -0.07550 -1.0 2.0
   69    75    79    84   0.20000  1.0 3.0
   69    75    81    82   0.29150  1.0 1.0
   69    75    81    82  -0.28350 -1.0 2.0
   69    75    81    82   0.43600  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    79   0.15000  1.0 3.0
   70    69    75    81   0.23400  1.0 3.0
   70    69    77    78   0.19450  1.0 3.0
   75    69    77    78   0.29150  1.0 1.0
   75    69    77    78  -0.28350 -1.0 2.0
   75    69    77    78   0.43600  1.0 3.0
   75    79   -83    60   0.06250  1.0 1.0
   75    79   -83    60  -0.01100 -1.0 2.0
   75    79   -83    60   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87  -0.47750  1.0 1.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82   0.29150  1.0 1.0
   79    75    81    82  -0.28350 -1.0 2.0
   79    75    81    82   0.43600  1.0 3.0
   79    84    87    88   0.29150  1.0 1.0
   79    84    87    88  -0.28350 -1.0 2.0
   79    84    87    88   0.43600  1.0 3.0
   80    79    83    60   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    60    63    64   0.23400  1.0 3.0
   83    60   -63    69   0.62750  1.0 1.0
   83    60   -63    69  -0.30950 -1.0 2.0
   83    60   -63    69   0.27300  1.0 3.0
   83    60    63    71   1.51850  1.0 1.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   1.51850  1.0 1.0
   84    79    83    60   0.06250  1.0 1.0
   84    79    83    60  -0.01100 -1.0 2.0
   84    79    83    60   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   1.51850  1.0 1.0
   81    75    79    84  -0.47750  1.0 1.0
   77    69    75    76   0.23400  1.0 3.0
   77    69    75    79  -0.47750  1.0 1.0
   77    69    75    81   3.77950  1.0 1.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    75  -0.47750  1.0 1.0
   71    63    69    77   3.77950  1.0 1.0
   50    45    48    49  -0.11900  1.0 1.0
   50    45    48    49   0.76850 -1.0 2.0
   50    45    48    49   0.14100  1.0 3.0
   50    45    48    53   0.32450 -1.0 2.0
   50    45    48    53   0.17400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    53    48   0.11950  1.0 1.0
   39    33    53    48   0.20300 -1.0 2.0
   39    33    53    48  -0.70800  1.0 3.0
   39    33    53    54  -0.11250  1.0 3.0
   39    33    53    57  -0.09450  1.0 1.0
   39    33    53    57  -1.12950 -1.0 2.0
   39    33    53    57   0.54000  1.0 3.0
   39    43    46    47   7.00000 -1.0 2.0
   39    43    46    52   7.00000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    46   1.00000 -1.0 2.0
   43    46    52    55   0.15800  1.0 1.0
   43    46    52    55   1.85350 -1.0 2.0
   43    46    52    55  -0.48700  1.0 3.0
   43    46    52    73   0.15800  1.0 1.0
   43    46    52    73   1.85350 -1.0 2.0
   43    46    52    73  -0.48700  1.0 3.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    52   7.00000 -1.0 2.0
   46    52    55    56   3.62500 -1.0 2.0
   46    52    55    58   3.62500 -1.0 2.0
   46    52    73    65   3.62500 -1.0 2.0
   46    52    73    74   3.62500 -1.0 2.0
   47    46    52    55   0.56550  1.0 3.0
   47    46    52    73   0.56550  1.0 3.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55    58    62   3.62500 -1.0 2.0
   55    52    73    65   3.62500 -1.0 2.0
   55    52    73    74   3.62500 -1.0 2.0
   55    58   -62    65   3.62500 -1.0 2.0
   55    58    62    67   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62    65    66   3.62500 -1.0 2.0
   58    62    65    73   3.62500 -1.0 2.0
   58    62    67    68   0.84100 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   59    58    62    67   3.62500 -1.0 2.0
   62    65   -73    52   3.62500 -1.0 2.0
   62    65    73    74   3.62500 -1.0 2.0
   65    62    67    68   0.84100 -1.0 2.0
   66    65    73    52   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   73    52    55    56   3.62500 -1.0 2.0
   73    52   -55    58   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    73   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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    42    41    45   1.10000 -1.0 2.0
   48    50    45    41   1.10000 -1.0 2.0
   45    53    48    49  10.50000 -1.0 2.0
   33    43    39    40  10.50000 -1.0 2.0
   39    44    43    46  15.00000 -1.0 2.0
   52    47    46    43  15.00000 -1.0 2.0
   55    73    52    46   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   65    67    62    58   4.00000 -1.0 2.0
   73    66    65    62   1.10000 -1.0 2.0
   65    74    73    52   1.10000 -1.0 2.0
END
