* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    166    252     487
    1     0 S   NP   _N1_     1    28.11425    93.75566   -21.28047
    2     1 S   H    _HN1     2     1.02837    27.65848   161.13135
    3     1 S   H    _H1_     3     1.02775    93.74750   -76.34268
    4     1 S   H    _H2_     4     1.02958    90.03141    32.04312
    5     1 S   CT   _CA1     5     1.50120   138.22977   153.64563
    6     5 S   HC   _HA1     6     1.09574   105.23372    62.89999
    7     5 S   CO3  _C1_     7     1.53798   112.31741   -57.32692
    8     7 S   O2Z  _O11     8     1.26366   114.99478   -45.03399
    9     7 S   O2Z  _O12     9     1.26233   114.93004   134.09725
   10     5 S   CT   _CB1    10     1.53108   107.43745  -179.18028
   11    10 S   HC   HB11    11     1.09826   109.38869   -50.49442
   12    10 S   HC   HB12    12     1.09817   110.41856    66.07917
   13    10 S   CT   _CG1    13     1.53014   112.62907  -171.55531
   14    13 S   HC   HG11    14     1.09597   110.46942   -63.43365
   15    13 S   HC   HG12    15     1.09652   109.94571    55.75997
   16    13 S   C    _CD1    16     1.51831   112.32623   176.18556
   17    16 S   O    _OE1    17     1.22792   123.27550    -0.25411
   18    16 S   N    _N2_    18     1.38606   111.66978   179.51949
   19    18 S   H    _HN2    19     1.01626   119.24229     2.37529
   20    18 S   CT1  _CA2    20     1.45775   123.08540   179.32827
   21    20 S   HC   _HA2    21     1.09538   108.96731    -8.58449
   22    20 S   C    _C2_    22     1.52652   106.83102  -125.56085
   23    22 S   O    _O2_    23     1.22965   122.70402   -31.97955
   24    20 S   CT   _CB2    32     1.53201   112.30763   114.29862
   25    24 S   HC   HB21    33     1.09504   110.31603    53.39554
   26    24 S   HC   HB22    34     1.09525   109.85502   172.43441
   27    22 S   N    _N3_    24     1.38472   112.56093   150.18161
   28    27 S   H    _HN3    25     1.01651   120.12650     2.15195
   29    24 S   S    _SG2    35     1.82740   111.00615   -67.60427
   30    27 S   CT   _CA3    26     1.45421   122.76707   179.97202
   31    30 S   HC   HA31    27     1.09548   106.74538   -81.91070
   32    30 S   HC   HA32    28     1.09532   109.09667    34.63045
   33    29 S   CT   _C20    36     1.83827    99.99521  -172.19350
   34    33 S   HC   _H8_    37     1.09687   107.28401    38.51916
   35    30 S   CO3  _C3_    29     1.52891   113.76342   156.46513
   36    35 S   O2Z  _O31    30     1.26371   115.79033   -30.24453
   37    35 S   O2Z  _O32    31     1.26396   114.71941   150.09489
   38    33 S   CT   _C21    38     1.52993   109.18318   -78.47672
   39    38 S   HC   _H29    39     1.09510   112.25313   -59.43563
   40    38 S   HC   _H30    40     1.09575   110.39230  -179.45715
   41    38 S   HC   _H31    41     1.09493   111.60631    61.96894
   42    33 S   CT   _C18    42     1.54861   112.69669   157.30967
   43    42 S   HC   _H7_    43     1.10084   107.88713   169.08135
   44    42 S   CO4  _C17    44     1.52503   109.83898   -78.66392
   45    44 S   O    _O36    45     1.22639   122.70742   -89.70416
   46    42 S   CT   _C19    84     1.53378   115.98210    50.07988
   47    46 S   HC   _H26    85     1.09398   110.94492    50.20455
   48    46 S   HC   _H27    86     1.09401   112.94240   -72.03819
   49    44 S   OS   _O35    46     1.36247   112.05928    88.24069
   50    46 S   OH   _O37    87     1.42543   108.97757   168.24143
   51    50 S   HO   _H28    88     0.97269   107.04855  -178.71900
   52    49 S   CT   _C16    47     1.43637   115.60784   178.74166
   53    52 S   HC   _H24    48     1.09643   108.25459   -71.32198
   54    52 S   HC   _H25    49     1.09218   110.15795    46.72043
   55    52 S   CT   _C13    50     1.52271   108.96001   169.58353
   56    55 S   HC   _H6_    51     1.10065   107.11507    60.65304
   57    55 S   CT   _C14    52     1.52364   114.08618  -179.95154
   58    57 S   HC   _H20    53     1.09492   111.77645    50.15738
   59    57 S   HC   _H21    54     1.09449   112.20342   -70.85025
   60    57 S   CT   _C15    55     1.51797   103.28379   168.88667
   61    60 S   HC   _H22    56     1.09510   111.43322    79.89357
   62    60 S   HC   _H23    57     1.09340   114.07562  -155.10633
   63    60 S   NP   _N4_    58     1.50959   104.57965   -34.62796
   64    63 S   H    _H4_    59     1.02963   108.57541   133.04618
   65    63 S   CT   _C11    60     1.51026   115.91389  -105.22759
   66    65 S   HC   _H18    61     1.09513   108.54921    22.31218
   67    65 S   HC   _H19    62     1.09304   108.42194   -97.86534
   68    65 S   CT   _C10    63     1.51704   103.57145   141.03952
   69    68 S   HC   _H16    64     1.09606   110.18562    78.58830
   70    68 S   HC   _H17    65     1.09315   110.85951  -160.98392
   71    68 S   CT   _C9_    66     1.52427   102.78244   -39.36764
   72    71 S   HC   _H3_    67     1.09273   112.49468   162.52905
   73    55 S   CT   _C12    68     1.52950   116.47522   -58.42690
   74    73 S   HC   _H5_    69     1.09721   111.17996    90.38291
   75    71 S   OS   _O34    70     1.43759   109.29580   -75.49390
   76    75 S   CO4  _C8_    71     1.36121   115.99797   -84.53510
   77    76 S   O    _O33    72     1.22161   126.83813    -1.44198
   78    76 S   CM   _C6_    73     1.48194   108.88084   178.49923
   79    78 S   CM   _C5_    74     1.34434   119.97820  -127.19140
   80    79 S   HC   _H12    75     1.08898   118.00934  -177.52172
   81    78 S   CT   _C7_    80     1.49773   117.10661    55.37790
   82    81 S   HC   _H13    81     1.09432   110.69319   -70.24073
   83    81 S   HC   _H14    82     1.09504   110.43248    50.07380
   84    81 S   HC   _H15    83     1.09520   111.92737   169.68638
   85    79 S   CT   _C4_    76     1.49577   127.77669     4.03323
   86    85 S   HC   _H9_    77     1.09392   110.06463  -108.67778
   87    85 S   HC   _H10    78     1.09490   109.43279   132.59373
   88    85 S   HC   _H11    79     1.09182   113.11179    13.33732
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
   7   1   1  12   5   4  16   8  11   6   5  11   5   4  12   7
  10   6   5   8   5   4   7   4   3   1   5   9   3  10   9   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    55    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    57    73  
   51  
    0  
   53    54    55    56    57    58    59    60    63    71    73    74  
   54    55    56    57    73  
   55    56    57    73  
   56    57    58    59    60    61    62    63    64    65    68    71    72    73    74    75  
   57    58    59    60    63    71    73    74  
   58    59    60    61    62    63    64    65    71    73    74  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    66    67    68    71    73    74  
   62    63    64    65    73  
   63    64    65    73  
   64    65    66    67    68    69    70    71    72    73    74    75  
   65    66    67    68    71    73    74  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    75  
   71    72    73    75  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76  
   75  
   76    77    78    79    81  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    88    81    82    83    84  
   85    86    87    88    81  
   82    83    84    85  
   83    84  
   84  
    0  
   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   0.107500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   367.000  1.471
   63    64   434.000  1.010
   63    65   367.000  1.471
   63    73   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   320.000  1.462
   78    79   549.000  1.340
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    50.00000  109.50000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    73    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    58.35000  112.70000
   55    73    63    80.00000  111.20000
   55    73    71    58.35000  112.70000
   55    73    74    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    80.00000  111.20000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    35.00000  109.50000
   60    63    65    75.00000  113.01200
   60    63    73    75.00000  113.01200
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    80.00000  111.20000
   63    73    71    80.00000  111.20000
   63    73    74    35.00000  109.50000
   65    63    64    35.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    75    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    75    76    83.00000  116.90000
   73    55    56    37.50000  110.70000
   73    55    57    58.35000  112.70000
   73    63    64    35.00000  109.50000
   73    63    65    75.00000  113.01200
   73    71    72    37.50000  110.70000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    90.00000  111.29400
   76    78    79    65.00000  118.96000
   76    78    81    65.00000  116.34900
   78    76    77    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  124.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    35.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55  -0.25900  1.0 1.0
   44    49    52    55  -0.47000 -1.0 2.0
   44    49    52    55   0.11750  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    55    56   0.23400  1.0 3.0
   49    52    55    57   0.62750  1.0 1.0
   49    52    55    57  -0.30950 -1.0 2.0
   49    52    55    57   0.27300  1.0 3.0
   49    52    55    73   0.62750  1.0 1.0
   49    52    55    73  -0.30950 -1.0 2.0
   49    52    55    73   0.27300  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.56750  1.0 1.0
   52    55    57    60  -0.07550 -1.0 2.0
   52    55    57    60   0.20000  1.0 3.0
   52    55    73    63   1.36600  1.0 1.0
   52    55    73    63  -0.11450 -1.0 2.0
   52    55    73    63   0.24250  1.0 3.0
   52    55    73    71   0.56750  1.0 1.0
   52    55    73    71  -0.07550 -1.0 2.0
   52    55    73    71   0.20000  1.0 3.0
   52    55    73    74   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    73   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    73   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    62   0.15000  1.0 3.0
   55    57   -60    63   1.36600  1.0 1.0
   55    57   -60    63  -0.11450 -1.0 2.0
   55    57   -60    63   0.24250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    73    63   0.19200  1.0 3.0
   56    55    73    71   0.15000  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   57    55   -73    63   1.36600  1.0 1.0
   57    55   -73    63  -0.11450 -1.0 2.0
   57    55   -73    63   0.24250  1.0 3.0
   57    55    73    71   0.56750  1.0 1.0
   57    55    73    71  -0.07550 -1.0 2.0
   57    55    73    71   0.20000  1.0 3.0
   57    55    73    74   0.15000  1.0 3.0
   57    60    63    64   0.17350  1.0 3.0
   57    60    63    65   0.47100  1.0 1.0
   57    60   -63    73   0.47100  1.0 1.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.19200  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.19200  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    65    68   0.47100  1.0 1.0
   60    63   -73    55   0.47100  1.0 1.0
   60    63    73    71   0.47100  1.0 1.0
   60    63    73    74   0.15000  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    73   0.15000  1.0 3.0
   62    60    63    64   0.13050  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    73   0.15000  1.0 3.0
   63    65    68    69   0.19200  1.0 3.0
   63    65    68    70   0.19200  1.0 3.0
   63    65   -68    71   1.36600  1.0 1.0
   63    65   -68    71  -0.11450 -1.0 2.0
   63    65   -68    71   0.24250  1.0 3.0
   64    63    65    66   0.13050  1.0 3.0
   64    63    65    67   0.13050  1.0 3.0
   64    63    65    68   0.17350  1.0 3.0
   64    63    73    55   0.17350  1.0 3.0
   64    63    73    71   0.17350  1.0 3.0
   64    63    73    74   0.13050  1.0 3.0
   65    63    73    55   0.47100  1.0 1.0
   65    63   -73    71   0.47100  1.0 1.0
   65    63    73    74   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68   -71    73   0.56750  1.0 1.0
   65    68   -71    73  -0.07550 -1.0 2.0
   65    68   -71    73   0.20000  1.0 3.0
   65    68    71    75   0.62750  1.0 1.0
   65    68    71    75  -0.30950 -1.0 2.0
   65    68    71    75   0.27300  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    55   0.56750  1.0 1.0
   68    71    73    55  -0.07550 -1.0 2.0
   68    71    73    55   0.20000  1.0 3.0
   68    71   -73    63   1.36600  1.0 1.0
   68    71   -73    63  -0.11450 -1.0 2.0
   68    71   -73    63   0.24250  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    75    76  -0.25900  1.0 1.0
   68    71    75    76  -0.47000 -1.0 2.0
   68    71    75    76   0.11750  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    75   0.23400  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    75   0.23400  1.0 3.0
   71    75    76    77   3.00000 -1.0 2.0
   71    75    76    78   2.00000 -1.0 2.0
   72    71    73    55   0.15000  1.0 3.0
   72    71    73    63   0.19200  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    75    76   0.08050  1.0 3.0
   73    55    57    58   0.15000  1.0 3.0
   73    55    57    59   0.15000  1.0 3.0
   73    55   -57    60   0.56750  1.0 1.0
   73    55   -57    60  -0.07550 -1.0 2.0
   73    55   -57    60   0.20000  1.0 3.0
   73    63    65    66   0.15000  1.0 3.0
   73    63    65    67   0.15000  1.0 3.0
   73    63   -65    68   0.47100  1.0 1.0
   73    71    75    76  -0.25900  1.0 1.0
   73    71    75    76  -0.47000 -1.0 2.0
   73    71    75    76   0.11750  1.0 3.0
   75    71    73    55   0.62750  1.0 1.0
   75    71    73    55  -0.30950 -1.0 2.0
   75    71    73    55   0.27300  1.0 3.0
   75    71    73    63   1.69300  1.0 1.0
   75    71    73    63  -0.48450 -1.0 2.0
   75    71    73    74   0.23400  1.0 3.0
   75    76    78    79  -0.56150  1.0 1.0
   75    76    78    79   2.19150 -1.0 2.0
   75    76    78    81  -0.15000  1.0 1.0
   75    76    78    81   0.89550 -1.0 2.0
   75    76    78    81  -0.06900  1.0 3.0
   76    78    79    80   7.00000 -1.0 2.0
   76    78    79    85   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    81  -0.64400  1.0 1.0
   77    76    78    81   0.26850 -1.0 2.0
   78    79    85    86   0.00000  1.0 1.0
   78    79    85    87   0.00000  1.0 1.0
   78    79    85    88   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    87   0.33100  1.0 3.0
   80    79    85    88   0.33100  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    85   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
   76    81    78    79  15.00000 -1.0 2.0
   85    80    79    78  15.00000 -1.0 2.0
END
