* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    167    246     495
    1     0 S   NP   _N1_     1    28.68599    96.48935   -24.40644
    2     1 S   H    _HN1     2     1.02789   111.54658   -93.09895
    3     1 S   H    _H1_     3     1.02950    71.02251     9.75995
    4     1 S   H    _H2_     4     1.02829    37.12005   175.43430
    5     1 S   CT   _CA1     5     1.50119   132.72529   110.37510
    6     5 S   HC   _HA1     6     1.09575   105.17817    95.06193
    7     5 S   CO3  _C1_     7     1.53784   112.48397   -25.14707
    8     7 S   O2Z  _O11     8     1.26376   115.00453   -42.02092
    9     7 S   O2Z  _O12     9     1.26243   114.94805   137.07203
   10     5 S   CT   _CB1    10     1.53076   107.41205  -146.96176
   11    10 S   HC   HB11    11     1.09836   109.34630   -49.60553
   12    10 S   HC   HB12    12     1.09813   110.45760    66.99828
   13    10 S   CT   _CG1    13     1.52998   112.62292  -170.57477
   14    13 S   HC   HG11    14     1.09577   110.65925   -66.46807
   15    13 S   HC   HG12    15     1.09671   109.75304    52.76663
   16    13 S   C    _CD1    16     1.51807   112.17110   173.21684
   17    16 S   O    _OE1    17     1.22737   123.26193     8.71260
   18    16 S   N    _N2_    18     1.38659   111.71480  -171.33864
   19    18 S   H    _HN2    19     1.01576   118.93324     1.56173
   20    18 S   CT1  _CA2    20     1.46203   123.38573   176.99560
   21    20 S   HC   _HA2    21     1.09737   109.35279     4.62923
   22    20 S   C    _C2_    22     1.53601   108.65421  -110.86067
   23    22 S   O    _O2_    23     1.23068   122.26264  -147.88316
   24    20 S   CT   _CB2    32     1.53336   111.60621   126.67348
   25    24 S   HC   HB21    33     1.09488   109.99707    56.54273
   26    24 S   HC   HB22    34     1.09520   110.07717   175.49607
   27    22 S   N    _N3_    24     1.38323   113.76347    39.54978
   28    27 S   H    _HN3    25     1.01570   119.60560    -3.19390
   29    24 S   S    _SG2    35     1.82780   111.51894   -64.90403
   30    27 S   CT   _CA3    26     1.45287   123.24257   177.21463
   31    30 S   HC   HA31    27     1.09548   107.50627   -64.82414
   32    30 S   HC   HA32    28     1.09556   107.99475    51.62431
   33    29 S   CT   _C13    36     1.84838    99.65986  -178.51655
   34    33 S   HC   _H4_    37     1.09668   107.16968    35.24568
   35    30 S   CO3  _C3_    29     1.52969   114.06282   173.61822
   36    35 S   O2Z  _O31    30     1.26380   116.07093    -0.71710
   37    35 S   O2Z  _O32    31     1.26427   114.41451   179.34598
   38    33 S   CT   _C14    38     1.54399   108.05033   -82.20917
   39    38 S   HC   _H22    39     1.09775   110.49314   -62.54971
   40    38 S   HC   _H23    40     1.09694   109.64701    54.56818
   41    33 S   CT   _C12    62     1.55122   111.51052   152.61181
   42    41 S   HC   _H3_    63     1.09616   107.95465  -176.30361
   43    38 S   CT   _C15    41     1.53359   113.26537   174.91485
   44    43 S   HC   _H24    42     1.09656   109.60701   -52.43202
   45    43 S   HC   _H25    43     1.09544   110.11993    65.59134
   46    41 S   CT   _C11    64     1.53981   113.79766   -56.61923
   47    46 S   HC   _H20    65     1.09673   109.37693   -46.25874
   48    46 S   HC   _H21    66     1.09626   110.31936    72.37939
   49    41 S   OH   _O35    89     1.42684   109.73472    67.40837
   50    49 S   HO   _H36    90     0.97147   107.99978   168.50925
   51    43 S   CT   _C16    44     1.53093   111.22147  -173.69634
   52    51 S   HC   _H26    45     1.09680   109.60214    58.99980
   53    51 S   HC   _H27    46     1.09682   109.54147   -58.31648
   54    46 S   CT   _C10    67     1.53432   112.43537  -167.35984
   55    54 S   HC   _H18    68     1.09665   109.58348    55.86065
   56    54 S   HC   _H19    69     1.09588   110.04575   -61.87463
   57    51 S   CT   _C17    47     1.52963   111.32363  -179.68596
   58    57 S   HC   _H28    48     1.09681   109.56105   -58.59210
   59    57 S   HC   _H29    49     1.09681   109.57370    58.69707
   60    54 S   CT   _C9_    70     1.53053   111.20389   177.01928
   61    60 S   HC   _H16    71     1.09680   109.57881   -58.70014
   62    60 S   HC   _H17    72     1.09681   109.55891    58.60249
   63    57 S   CT   _C18    50     1.52961   111.32584  -179.95154
   64    63 S   HC   _H30    51     1.09682   109.55917    58.62583
   65    63 S   HC   _H31    52     1.09682   109.55845   -58.66010
   66    60 S   CT   _C8_    73     1.52961   111.32587   179.96044
   67    66 S   HC   _H14    74     1.09681   109.56407    58.63729
   68    66 S   HC   _H15    75     1.09681   109.56741   -58.64778
   69    63 S   CT   _C19    53     1.52968   111.33080   180.00000
   70    69 S   HC   _H32    54     1.09703   109.54441    58.47921
   71    69 S   HC   _H33    55     1.09703   109.54218   -58.46097
   72    66 S   CT   _C7_    76     1.52959   111.33274   180.00000
   73    72 S   HC   _H12    77     1.09682   109.56707    58.63498
   74    72 S   HC   _H13    78     1.09681   109.56724   -58.65168
   75    69 S   CT   _C20    56     1.52539   111.41294  -180.00000
   76    75 S   HC   _H34    57     1.09715   109.44579    58.64533
   77    75 S   HC   _H35    58     1.09715   109.44651   -58.66311
   78    72 S   CT   _C6_    79     1.52957   111.33089   180.00000
   79    78 S   HC   _H10    80     1.09685   109.57557   -58.63278
   80    78 S   HC   _H11    81     1.09684   109.57635    58.63584
   81    75 S   CO3  _C21    59     1.53215   115.24924   180.00000
   82    81 S   O2Z  _O34    60     1.26529   114.02535  -179.96574
   83    81 S   O2Z  _O33    61     1.26134   116.68088     0.02798
   84    78 S   CT   _C5_    82     1.52847   111.32988  -180.00000
   85    84 S   HC   _H8_    83     1.09622   109.86614    58.87260
   86    84 S   HC   _H9_    84     1.09622   109.86658   -58.85665
   87    84 S   CT   _C4_    85     1.52036   111.49324  -179.98022
   88    87 S   HC   _H5_    86     1.09469   111.00089    60.25904
   89    87 S   HC   _H6_    87     1.09450   110.26071   180.00000
   90    87 S   HC   _H7_    88     1.09469   111.00109   -60.26048
  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
  16   8   2   1   1  13   6   5  11   6   9   5   4  11   6   5
   2   1   9   5   4   9   5   4   9   5   4   9   5   4   9   5
   4   9   5   4   8   5   4   9   5   4   5   4   3   9   5   4
   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    51    41    42    46    47    48    54    49    50  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    51    52    53    57    41    42    46    49  
   40    43    44    45    51    41  
   43    44    45    51    41  
   42    46    47    48    54    55    56    60    49    50    43  
   46    47    48    54    49    50  
   44    45    51    52    53    57    58    59    63  
   45    51    52    53    57  
   51    52    53    57  
   47    48    54    55    56    60    61    62    66    49    50  
   48    54    55    56    60    49  
   54    55    56    60    49  
   50    54  
    0  
   52    53    57    58    59    63    64    65    69  
   53    57    58    59    63  
   57    58    59    63  
   55    56    60    61    62    66    67    68    72  
   56    60    61    62    66  
   60    61    62    66  
   58    59    63    64    65    69    70    71    75  
   59    63    64    65    69  
   63    64    65    69  
   61    62    66    67    68    72    73    74    78  
   62    66    67    68    72  
   66    67    68    72  
   64    65    69    70    71    75    76    77    81  
   65    69    70    71    75  
   69    70    71    75  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83  
   77    81    82    83  
   81    82    83  
   79    80    84    85    86    87    88    89    90  
   80    84    85    86    87  
   84    85    86    87  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   49    50   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    57    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    69    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    70.00000  109.69300
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    70.00000  117.00000
   75    81    83    70.00000  117.00000
   77    75    76    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    77    35.00000  109.50000
   83    81    82    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    54    58.35000  112.70000
   41    49    50    55.00000  108.50000
   46    41    42    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    46    50.00000  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.56750  1.0 1.0
   33    38    43    51  -0.07550 -1.0 2.0
   33    38    43    51   0.20000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    54   0.56750  1.0 1.0
   33    41    46    54  -0.07550 -1.0 2.0
   33    41    46    54   0.20000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    43    51    52   0.15000  1.0 3.0
   38    43    51    53   0.15000  1.0 3.0
   38    43    51    57   0.56750  1.0 1.0
   38    43    51    57  -0.07550 -1.0 2.0
   38    43    51    57   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    51   0.15000  1.0 3.0
   43    51    57    58   0.15000  1.0 3.0
   43    51    57    59   0.15000  1.0 3.0
   43    51    57    63   0.56750  1.0 1.0
   43    51    57    63  -0.07550 -1.0 2.0
   43    51    57    63   0.20000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    57   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    57   0.15000  1.0 3.0
   51    57    63    64   0.15000  1.0 3.0
   51    57    63    65   0.15000  1.0 3.0
   51    57    63    69   0.56750  1.0 1.0
   51    57    63    69  -0.07550 -1.0 2.0
   51    57    63    69   0.20000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    63   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    63   0.15000  1.0 3.0
   57    63    69    70   0.15000  1.0 3.0
   57    63    69    71   0.15000  1.0 3.0
   57    63    69    75   0.56750  1.0 1.0
   57    63    69    75  -0.07550 -1.0 2.0
   57    63    69    75   0.20000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    69   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    69   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    81  -1.63150  1.0 1.0
   63    69    75    81  -0.43550 -1.0 2.0
   63    69    75    81   0.24500  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   69    75    81    82   0.41150 -1.0 2.0
   69    75    81    83   0.41150 -1.0 2.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81  -0.11250  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81  -0.11250  1.0 3.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.00000  1.0 1.0
   77    75    81    82   0.00000  1.0 1.0
   77    75    81    83   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    54    55   0.15000  1.0 3.0
   41    46    54    56   0.15000  1.0 3.0
   41    46    54    60   0.56750  1.0 1.0
   41    46    54    60  -0.07550 -1.0 2.0
   41    46    54    60   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    54   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   46    41    49    50  -0.11600  1.0 1.0
   46    41    49    50  -0.09450 -1.0 2.0
   46    41    49    50   0.21250  1.0 3.0
   46    54    60    61   0.15000  1.0 3.0
   46    54    60    62   0.15000  1.0 3.0
   46    54    60    66   0.56750  1.0 1.0
   46    54    60    66  -0.07550 -1.0 2.0
   46    54    60    66   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    60   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    60   0.15000  1.0 3.0
   54    60    66    67   0.15000  1.0 3.0
   54    60    66    68   0.15000  1.0 3.0
   54    60    66    72   0.56750  1.0 1.0
   54    60    66    72  -0.07550 -1.0 2.0
   54    60    66    72   0.20000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    66   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    66   0.15000  1.0 3.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    74   0.15000  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
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    72   0.15000  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    84   0.56750  1.0 1.0
   66    72    78    84  -0.07550 -1.0 2.0
   66    72    78    84   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.56750  1.0 1.0
   72    78    84    87  -0.07550 -1.0 2.0
   72    78    84    87   0.20000  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    84   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84   0.15000  1.0 3.0
   78    84    87    88   0.15000  1.0 3.0
   78    84    87    89   0.15000  1.0 3.0
   78    84    87    90   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   49    41    46    47   0.23400  1.0 3.0
   49    41    46    48   0.23400  1.0 3.0
   49    41    46    54   0.86500  1.0 1.0
   49    41    46    54  -0.17500 -1.0 2.0
   49    41    46    54   0.20800  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
   82    75    81    83  10.50000 -1.0 2.0
END
