* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    234     468
    1     0 S   NP   _N1_     1    28.62699    97.07777   -20.50252
    2     1 S   H    _HN1     2     1.02790    92.78700  -109.70345
    3     1 S   H    _H1_     3     1.02948    68.64283    -1.08894
    4     1 S   H    _H2_     4     1.02832    48.65824   138.82193
    5     1 S   CT   _CA1     5     1.50113   153.00937    92.26960
    6     5 S   HC   _HA1     6     1.09581   105.17507    94.97615
    7     5 S   CO3  _C1_     7     1.53789   112.33507   -25.14654
    8     7 S   O2Z  _O11     8     1.26363   115.01190   -46.02014
    9     7 S   O2Z  _O12     9     1.26229   114.92363   132.88393
   10     5 S   CT   _CB1    10     1.53075   107.39009  -147.20467
   11    10 S   HC   HB11    11     1.09832   109.34176   -50.49937
   12    10 S   HC   HB12    12     1.09807   110.51112    66.12405
   13    10 S   CT   _CG1    13     1.52945   112.52588  -171.47308
   14    13 S   HC   HG11    14     1.09558   110.49080   -66.60549
   15    13 S   HC   HG12    15     1.09670   109.80308    52.56352
   16    13 S   C    _CD1    16     1.51811   112.24893   173.16895
   17    16 S   O    _OE1    17     1.22731   123.26720     9.14710
   18    16 S   N    _N2_    18     1.38588   111.63544  -170.99442
   19    18 S   H    _HN2    19     1.01579   118.95325     1.93189
   20    18 S   CT1  _CA2    20     1.46272   123.59944   178.28206
   21    20 S   HC   _HA2    21     1.09707   109.36461     5.32049
   22    20 S   C    _C2_    22     1.53681   109.20392  -110.57773
   23    22 S   O    _O2_    23     1.23099   122.11543  -154.32231
   24    20 S   CT   _CB2    32     1.53351   111.19148   127.48089
   25    24 S   HC   HB21    33     1.09169   108.84888    55.49886
   26    24 S   HC   HB22    34     1.09434   110.39206   174.53600
   27    22 S   N    _N3_    24     1.38238   114.07115    32.79646
   28    27 S   H    _HN3    25     1.01558   119.51425    -3.28634
   29    24 S   S    _SG2    35     1.82500   111.57762   -65.09318
   30    27 S   CT   _CA3    26     1.45262   123.27838   177.73523
   31    30 S   HC   HA31    27     1.09545   107.54973   -64.27277
   32    30 S   HC   HA32    28     1.09563   107.95174    52.19138
   33    29 S   CT   _C14    36     1.86159   101.55552   168.02024
   34    33 S   OM   _O34    37     1.32157   108.26000   177.98210
   35    30 S   CO3  _C3_    29     1.52965   114.01822   174.14114
   36    35 S   O2Z  _O31    30     1.26384   116.05509    -0.34207
   37    35 S   O2Z  _O32    31     1.26422   114.42422   179.71954
   38    33 S   CM   _C13    38     1.53703   109.89710    61.14923
   39    38 S   CM   _C12    39     1.35572   120.76227  -117.27092
   40    38 S   CT   _C15    77     1.53658   118.05010    61.09771
   41    40 S   HC   _H12    78     1.09444   108.41015  -128.56373
   42    40 S   HC   _H13    79     1.09603   111.04133   -14.57216
   43    39 S   CT   _C11    40     1.53301   124.97029     1.26594
   44    39 S   OH   _O35    75     1.39056   122.41407  -179.52605
   45    44 S   HO   _H21    76     0.96810   109.69184     6.12141
   46    40 S   CM   _C16    80     1.50846   112.87812   105.75961
   47    46 S   HC   _H14    81     1.08999   114.14215   -53.93060
   48    43 S   CMA  _C10    41     1.55987   114.01197   -10.04195
   49    48 S   OM   _O33    42     1.26868   111.66440  -167.95335
   50    43 S   CT   _C20    59     1.57347   106.42111   116.52444
   51    50 S   HC   _H22    60     1.09247   109.57284   -61.43213
   52    50 S   HC   _H23    61     1.09963   108.87524    53.08442
   53    43 S   OH   _O36    73     1.44585   105.18899  -129.41835
   54    53 S   HO   _H31    74     0.97381   106.08935   151.93800
   55    46 S   CM   _C17    82     1.34736   128.29460   126.86895
   56    33 S   CM   _C9_    43     1.52563   110.03923   -64.95021
   57    50 S   CM   _C21    62     1.51015   117.02910   170.75924
   58    57 S   HC   _H24    63     1.08954   113.70079   -63.13842
   59    55 S   CT   _C18    83     1.50632   120.24413  -179.73756
   60    59 S   HC   _H15    84     1.09500   110.20557   120.53331
   61    59 S   HC   _H16    85     1.09511   112.47128     0.47395
   62    59 S   HC   _H17    86     1.09497   110.25994  -119.66509
   63    55 S   CT   _C19    87     1.50247   125.57732     0.46730
   64    63 S   HC   _H18    88     1.09530   110.03245   123.30185
   65    63 S   HC   _H19    89     1.09507   110.01259  -117.47429
   66    63 S   HC   _H20    90     1.09141   113.75252     3.21966
   67    56 S   CO4  _C8_    44     1.51452   119.19056   -63.15278
   68    67 S   O    _O37    45     1.23004   120.64080   -84.77934
   69    57 S   CM   _C22    64     1.34739   128.40400   117.72006
   70    67 S   CT   _C7_    46     1.52409   116.67624    94.41617
   71    70 S   HC   _H10    47     1.09601   107.87809    23.37667
   72    70 S   HC   _H11    48     1.09502   108.37221   -92.89490
   73    69 S   CT   _C23    65     1.50585   120.25410   179.49993
   74    73 S   HC   _H25    66     1.09500   110.24657   119.55957
   75    73 S   HC   _H26    67     1.09496   110.22506  -120.63318
   76    73 S   HC   _H27    68     1.09511   112.45766    -0.53959
   77    69 S   CT   _C24    69     1.50231   125.56816    -1.36916
   78    77 S   HC   _H28    70     1.09505   110.09321   119.54461
   79    77 S   HC   _H29    71     1.09532   110.04880  -121.13310
   80    77 S   HC   _H30    72     1.08993   113.72703    -1.01491
   81    70 S   CT   _C5_    49     1.53712   112.82242   144.04218
   82    81 S   HC   _H6_    50     1.09732   109.59218   -34.63999
   83    81 S   CT   _C4_    51     1.53074   111.35506    85.09661
   84    83 S   HC   _H3_    52     1.09550   111.25929    60.54732
   85    83 S   HC   _H4_    53     1.09388   111.46830   -59.95646
   86    83 S   HC   _H5_    54     1.09532   110.66153  -179.58269
   87    81 S   CT   _C6_    55     1.53053   110.20118  -153.10250
   88    87 S   HC   _H7_    56     1.09479   111.33976   -59.47596
   89    87 S   HC   _H8_    57     1.09513   110.86512  -179.82868
   90    87 S   HC   _H9_    58     1.09532   110.77577    60.72259
  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   8   5   4   3
  15   6   2   1   1  15  16  10   4   3  14   4   1  10   3  11
   4  10   5   4   3   1   8   6  10   3   7   3   2   1   3   2
   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1   1
   9   8   7   3   2   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    67    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    56    67    68    70    44    40    41    42    46  
   38    39    48    56    67    40  
   36    37  
   37  
    0  
   39    43    48    56    67    50    53    44    45    40    41    42    46    47    55  
   43    48    49    56    50    51    52    57    53    54    44    45    40    41    42    46  
   41    42    46    47    55    59    63    43    44    56  
   42    46    47    55  
   46    47    55  
   48    49    56    67    50    51    52    57    58    69    53    54    44    45  
   45    48    50    53  
    0  
   47    55    59    60    61    62    63    64    65    66  
   55    59    63  
   49    56    67    68    70    50    51    52    57    53    54  
   56    67    50    53  
   51    52    57    58    69    73    77    53    54    56  
   52    57    58    69    53  
   57    58    69    53  
   54    56    57  
    0  
   59    60    61    62    63    64    65    66  
   67    68    70    71    72    81  
   58    69    73    74    75    76    77    78    79    80  
   69    73    77  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    72    81    82    83    87  
   70    71    72    81  
   73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    86    87    88    89    90  
   72    81    82    83    87  
   81    82    83    87  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   570.000  1.307
   33    38   317.000  1.510
   33    56   317.000  1.510
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   270.000  1.512
   43    50   268.000  1.529
   43    53   320.000  1.410
   48    49   745.000  1.250
   48    56   465.000  1.376
   56    67   320.000  1.462
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.510
   57    58   340.000  1.080
   57    69   549.000  1.340
   69    73   317.000  1.510
   69    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   553.000  0.945
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.510
   46    47   340.000  1.080
   46    55   549.000  1.340
   55    59   317.000  1.510
   55    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    48    70.00000  124.00000
   33    56    67    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  110.12100
   39    43    48    70.00000  110.12100
   39    43    50    70.00000  112.02700
   39    43    53    90.00000  110.39200
   39    44    45    70.00000  107.45700
   43    48    49    85.00000  112.85300
   43    48    56    65.00000  122.18000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    57    70.00000  112.02700
   43    53    54    55.00000  108.50000
   48    56    67    60.00000  125.92000
   56    33    34    85.00000  110.90400
   56    33    38    70.00000  110.12100
   56    48    49    65.00000  137.10300
   56    67    68    80.00000  123.72100
   56    67    70    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    81    63.00000  111.10000
   70    67    68    80.00000  120.40000
   70    81    82    37.50000  110.70000
   70    81    83    58.35000  112.70000
   70    81    87    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   50    43    48    70.00000  112.02700
   50    57    58    35.00000  117.00000
   50    57    69    70.00000  124.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    69    73    70.00000  124.00000
   57    69    77    70.00000  124.00000
   69    57    58    35.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   53    43    48    90.00000  110.39200
   53    43    50    50.00000  109.50000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    55    70.00000  124.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    55    59    70.00000  124.00000
   46    55    63    70.00000  124.00000
   55    46    47    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    48   0.42700  1.0 1.0
   29    33    56    48  -0.70350 -1.0 2.0
   29    33    56    48  -0.43150  1.0 3.0
   29    33    56    67   0.09700  1.0 1.0
   29    33    56    67   0.15600 -1.0 2.0
   29    33    56    67  -0.50800  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    56    67    68  -0.64400  1.0 1.0
   33    56    67    68   0.26850 -1.0 2.0
   33    56    67    70   0.25700  1.0 1.0
   33    56    67    70   0.66200 -1.0 2.0
   33    56    67    70   0.04450  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    56    48   0.39000  1.0 1.0
   34    33    56    48  -0.05800 -1.0 2.0
   34    33    56    48  -0.55150  1.0 3.0
   34    33    56    67   0.09700  1.0 1.0
   34    33    56    67   0.15600 -1.0 2.0
   34    33    56    67  -0.50800  1.0 3.0
   38    33    56    48  -0.28300  1.0 1.0
   38    33    56    48   0.26700 -1.0 2.0
   38    33    56    48  -0.63300  1.0 3.0
   38    33    56    67   0.09700  1.0 1.0
   38    33    56    67   0.15600 -1.0 2.0
   38    33    56    67  -0.50800  1.0 3.0
   38    39   -43    48  -0.28300  1.0 1.0
   38    39   -43    48   0.26700 -1.0 2.0
   38    39   -43    48  -0.63300  1.0 3.0
   38    39    43    50   0.09850  1.0 1.0
   38    39    43    50   0.15250 -1.0 2.0
   38    39    43    50  -0.50650  1.0 3.0
   38    39    43    53   0.67800  1.0 1.0
   38    39    43    53   0.47050 -1.0 2.0
   38    39    43    53  -0.62500  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    55  -0.28300  1.0 1.0
   38    40    46    55   0.26700 -1.0 2.0
   38    40    46    55  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    43    48    49   0.09700  1.0 1.0
   39    43    48    49   0.15600 -1.0 2.0
   39    43    48    49  -0.50800  1.0 3.0
   39    43    48    56  -0.28300  1.0 1.0
   39    43    48    56   0.26700 -1.0 2.0
   39    43    48    56  -0.63300  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    57   0.31000  1.0 1.0
   39    43    50    57   0.14700 -1.0 2.0
   39    43    50    57   0.07550  1.0 3.0
   39    43    53    54  -0.07800  1.0 1.0
   39    43    53    54  -0.21500 -1.0 2.0
   39    43    53    54  -0.03150  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    48   -56    33   7.00000 -1.0 2.0
   43    48    56    67   7.00000 -1.0 2.0
   43    50    57    58   0.00000  1.0 1.0
   43    50    57    69   0.09850  1.0 1.0
   43    50    57    69   0.15250 -1.0 2.0
   43    50    57    69  -0.50650  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    52   0.15000  1.0 3.0
   48    43    50    57   0.31000  1.0 1.0
   48    43    50    57   0.14700 -1.0 2.0
   48    43    50    57   0.07550  1.0 3.0
   48    43    53    54  -0.07800  1.0 1.0
   48    43    53    54  -0.21500 -1.0 2.0
   48    43    53    54  -0.03150  1.0 3.0
   48    56    67    68   1.00000 -1.0 2.0
   48    56    67    70  -0.33500  1.0 1.0
   48    56    67    70   1.06600 -1.0 2.0
   48    56    67    70  -0.14000  1.0 3.0
   49    48    56    33   7.00000 -1.0 2.0
   49    48    56    67   7.00000 -1.0 2.0
   56    33   -38    39  -0.28300  1.0 1.0
   56    33   -38    39   0.26700 -1.0 2.0
   56    33   -38    39  -0.63300  1.0 3.0
   56    33    38    40   0.09700  1.0 1.0
   56    33    38    40   0.15600 -1.0 2.0
   56    33    38    40  -0.50800  1.0 3.0
   56    67    70    71   0.00000  1.0 1.0
   56    67    70    72   0.00000  1.0 1.0
   56    67    70    81   0.65300  1.0 1.0
   56    67    70    81  -0.03850 -1.0 2.0
   56    67    70    81   0.33900  1.0 3.0
   67    70    81    82  -0.11250  1.0 3.0
   67    70    81    83  -0.95700  1.0 1.0
   67    70    81    83  -0.18200 -1.0 2.0
   67    70    81    83   0.29450  1.0 3.0
   67    70    81    87  -0.95700  1.0 1.0
   67    70    81    87  -0.18200 -1.0 2.0
   67    70    81    87   0.29450  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    81   0.30150 -1.0 2.0
   70    81    83    84   0.15000  1.0 3.0
   70    81    83    85   0.15000  1.0 3.0
   70    81    83    86   0.15000  1.0 3.0
   70    81    87    88   0.15000  1.0 3.0
   70    81    87    89   0.15000  1.0 3.0
   70    81    87    90   0.15000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    87   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    87   0.15000  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   50    43    48    49   0.09700  1.0 1.0
   50    43    48    49   0.15600 -1.0 2.0
   50    43    48    49  -0.50800  1.0 3.0
   50    43    48    56   0.09850  1.0 1.0
   50    43    48    56   0.15250 -1.0 2.0
   50    43    48    56  -0.50650  1.0 3.0
   50    43    53    54  -0.11600  1.0 1.0
   50    43    53    54  -0.09450 -1.0 2.0
   50    43    53    54   0.21250  1.0 3.0
   50    57    69    73   7.00000 -1.0 2.0
   50    57    69    77   7.00000 -1.0 2.0
   51    50    57    58   0.33100  1.0 3.0
   51    50    57    69   0.00000  1.0 1.0
   52    50    57    58   0.33100  1.0 3.0
   52    50    57    69   0.00000  1.0 1.0
   57    69    73    74   0.00000  1.0 1.0
   57    69    73    75   0.00000  1.0 1.0
   57    69    73    76   0.00000  1.0 1.0
   57    69    77    78   0.00000  1.0 1.0
   57    69    77    79   0.00000  1.0 1.0
   57    69    77    80   0.00000  1.0 1.0
   58    57    69    73   7.00000 -1.0 2.0
   58    57    69    77   7.00000 -1.0 2.0
   73    69    77    78   0.34800  1.0 3.0
   73    69    77    79   0.34800  1.0 3.0
   73    69    77    80   0.34800  1.0 3.0
   77    69    73    74   0.34800  1.0 3.0
   77    69    73    75   0.34800  1.0 3.0
   77    69    73    76   0.34800  1.0 3.0
   53    43    48    49   0.09700  1.0 1.0
   53    43    48    49   0.15600 -1.0 2.0
   53    43    48    49  -0.50800  1.0 3.0
   53    43    48    56   0.67800  1.0 1.0
   53    43    48    56   0.47050 -1.0 2.0
   53    43    48    56  -0.62500  1.0 3.0
   53    43    50    51   0.23400  1.0 3.0
   53    43    50    52   0.23400  1.0 3.0
   53    43    50    57   1.05650  1.0 1.0
   53    43    50    57   0.15600 -1.0 2.0
   53    43    50    57   0.53150  1.0 3.0
   44    39    43    48   0.09700  1.0 1.0
   44    39    43    48   0.15600 -1.0 2.0
   44    39    43    48  -0.50800  1.0 3.0
   44    39    43    50   0.09700  1.0 1.0
   44    39    43    50   0.15600 -1.0 2.0
   44    39    43    50  -0.50800  1.0 3.0
   44    39    43    53   0.09700  1.0 1.0
   44    39    43    53   0.15600 -1.0 2.0
   44    39    43    53  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46    55    59   7.00000 -1.0 2.0
   40    46    55    63   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    55   0.00000  1.0 1.0
   42    40    46    47   0.33100  1.0 3.0
   42    40    46    55   0.00000  1.0 1.0
   46    55    59    60   0.00000  1.0 1.0
   46    55    59    61   0.00000  1.0 1.0
   46    55    59    62   0.00000  1.0 1.0
   46    55    63    64   0.00000  1.0 1.0
   46    55    63    65   0.00000  1.0 1.0
   46    55    63    66   0.00000  1.0 1.0
   47    46    55    59   7.00000 -1.0 2.0
   47    46    55    63   7.00000 -1.0 2.0
   59    55    63    64   0.34800  1.0 3.0
   59    55    63    65   0.34800  1.0 3.0
   59    55    63    66   0.34800  1.0 3.0
   63    55    59    60   0.34800  1.0 3.0
   63    55    59    61   0.34800  1.0 3.0
   63    55    59    62   0.34800  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
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    49    48    56   1.10000 -1.0 2.0
   33    67    56    48   1.10000 -1.0 2.0
   56    70    67    68  10.50000 -1.0 2.0
   50    58    57    69  15.00000 -1.0 2.0
   73    77    69    57  15.00000 -1.0 2.0
   40    47    46    55  15.00000 -1.0 2.0
   59    63    55    46  15.00000 -1.0 2.0
END
