* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    162    264     483
    1     0 S   NP   _N1_     1    30.43751    90.40330   -27.29929
    2     1 S   H    _HN1     2     1.02835    33.67158   -93.14886
    3     1 S   H    _H1_     3     1.02801   140.93008   -79.59087
    4     1 S   H    _H2_     4     1.02946    86.45654    35.47753
    5     1 S   CT   _CA1     5     1.50086    94.76217   145.76469
    6     5 S   HC   _HA1     6     1.09569   105.23494    89.71360
    7     5 S   CO3  _C1_     7     1.53791   112.42165   -30.67382
    8     7 S   O2Z  _O11     8     1.26376   115.01714   -44.91116
    9     7 S   O2Z  _O12     9     1.26231   114.93534   134.31025
   10     5 S   CT   _CB1    10     1.53062   107.45699  -152.23480
   11    10 S   HC   HB11    11     1.09837   109.48459   -49.30204
   12    10 S   HC   HB12    12     1.09818   110.42801    67.32776
   13    10 S   CT   _CG1    13     1.53011   112.55766  -170.21982
   14    13 S   HC   HG11    14     1.09579   110.69628   -63.99161
   15    13 S   HC   HG12    15     1.09656   109.79125    55.30513
   16    13 S   C    _CD1    16     1.51725   112.05288   175.89759
   17    16 S   O    _OE1    17     1.22755   123.15858     8.09643
   18    16 S   N    _N2_    18     1.38556   111.85648  -172.06566
   19    18 S   H    _HN2    19     1.01555   118.88830     3.15889
   20    18 S   CT1  _CA2    20     1.46437   123.72598   179.24359
   21    20 S   HC   _HA2    21     1.09584   109.09067    13.64599
   22    20 S   C    _C2_    22     1.53696   108.25658  -101.81411
   23    22 S   O    _O2_    23     1.23058   122.57293  -139.80839
   24    20 S   CT   _CB2    32     1.53482   111.36772   136.13851
   25    24 S   HC   HB21    33     1.09694   109.22395    57.15753
   26    24 S   HC   HB22    34     1.09251   111.17086   173.73196
   27    22 S   N    _N3_    24     1.38422   113.73138    46.92275
   28    27 S   H    _HN3    25     1.01528   119.75552    -1.03382
   29    24 S   S    _SG2    35     1.83599   112.88507   -60.55786
   30    27 S   CT   _CA3    26     1.45297   123.14666   178.01426
   31    30 S   HC   HA31    27     1.09546   107.34568   -69.03251
   32    30 S   HC   HA32    28     1.09558   108.18923    47.43959
   33    29 S   CT   _C20    36     1.90532   104.32961   -95.44175
   34    33 S   OM   _O38    37     1.32282   111.30303    27.00114
   35    30 S   CO3  _C3_    29     1.52962   114.13546   169.57109
   36    35 S   O2Z  _O31    30     1.26369   116.13797    -1.04061
   37    35 S   O2Z  _O32    31     1.26441   114.39786   179.04756
   38    33 S   CM   _C21    38     1.54271   104.31183   -91.38407
   39    33 S   CT   _C19    71     1.61291   112.41580   144.85264
   40    39 S   HC   _H4_    72     1.10143   110.69654  -126.57372
   41    38 S   CMA  _C23    39     1.36585   125.72209   -97.63921
   42    41 S   OM   _O37    40     1.26968   129.81734   177.85051
   43    39 S   NP   _N5_    73     1.55664   111.47443   -13.92327
   44    43 S   H    _H16    74     1.03005   104.53137    36.92154
   45    38 S   C    _C22    83     1.50496   119.45102    79.96386
   46    45 S   O    _O36    84     1.22648   122.78084   -82.16265
   47    41 S   CT   _C16    41     1.55210   117.03034    -4.62372
   48    47 S   OM   _O39    42     1.32738   109.49444    84.42055
   49    43 S   CT   _C24    75     1.50525   117.89892   154.83260
   50    49 S   HC   _H17    76     1.09316   108.67990    55.57127
   51    49 S   HC   _H18    77     1.09429   108.19428   175.39755
   52    49 S   HC   _H19    78     1.09022   109.34221   -67.14080
   53    43 S   CT   _C25    79     1.51638   111.46643   -79.12199
   54    53 S   HC   _H20    80     1.09371   108.31172   -72.70838
   55    53 S   HC   _H21    81     1.08866   109.71501    47.62697
   56    53 S   HC   _H22    82     1.09348   107.90696   167.11266
   57    45 S   N    _N4_    85     1.37584   112.92686    98.69231
   58    57 S   H    _H14    86     1.01371   121.63978     0.29936
   59    57 S   H    _H15    87     1.01225   120.57598   179.36727
   60    47 S   CO4  _C15    43     1.56123   114.85257  -156.82531
   61    60 S   O    _O35    44     1.23298   123.45883  -100.55990
   62    60 S   CA   _C7_    45     1.50388   118.52290    77.70973
   63    62 S   CA   _C6_    46     1.39475   119.96057    14.76482
   64    63 S   CA   _C5_    47     1.42869   119.43785  -178.28251
   65    63 S   CT   _C18    66     1.51405   120.40548     0.13706
   66    65 S   HC   _H12    67     1.09835   108.29411   137.43107
   67    65 S   HC   _H13    68     1.09577   108.07862  -106.29659
   68    64 S   CA   _C10    48     1.45315   121.85200    -7.48252
   69    64 S   CT   _C4_    62     1.51805   117.43947   171.24550
   70    69 S   HC   _H5_    63     1.09385   110.53642  -135.78289
   71    69 S   HC   _H6_    64     1.09301   113.26194   -20.67961
   72    69 S   HC   _H7_    65     1.09352   110.51985   100.14943
   73    47 S   CT   _C17    69     1.54348   110.93735   -36.53751
   74    73 S   HC   _H3_    70     1.09731   109.61712  -177.84578
   75    68 S   CA   _C9_    49     1.42898   117.09054     9.15169
   76    75 S   CA   _C14    50     1.43025   118.73272   175.42555
   77    62 S   CA   _C8_    59     1.40724   120.91248  -164.75470
   78    76 S   CA   _C13    51     1.39030   123.03853     1.78619
   79    78 S   HA   _H9_    52     1.08587   121.45991   179.81655
   80    76 S   OH   _O33    57     1.37617   120.48337  -178.42269
   81    80 S   HO   _H10    58     0.97140   109.70704   179.78150
   82    77 S   OH   _O34    60     1.37930   119.80946     2.48317
   83    82 S   HO   _H11    61     0.97288   109.71988     1.14535
   84    78 S   CA   _C12    53     1.37598   118.99185     1.47419
   85    84 S   HA   _H8_    54     1.08780   118.78242   177.38618
   86    68 S   CA   _C11    55     1.44536   126.89621  -170.85802
   87    86 S   Cl   Cl1_    56     1.74013   124.41479     9.03264
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  14  22   8  12   5  13   9   5   3  11   6
   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15  15
   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4   2
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    65    73    74    39    40    43    44    49    53    45    46    57  
   38    41    73    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    60    73    39    40    43    45    46    57    58    59  
   40    43    44    49    50    51    52    53    54    55    56    45    41    47    48    60    63    65    66    67    73    74  
   43    44    49    53    47    65    73    74  
   42    47    48    60    61    62    65    73    74    45    46    57  
   47    48    60    73    45  
   44    49    50    51    52    53    54    55    56    47    65    73    74  
   49    50    51    52    53    54    55    56    73  
   46    57    58    59    47  
   57    58    59  
   48    60    61    62    63    77    65    66    67    73    74  
   60    61    62    65    73    74  
   50    51    52    53    54    55    56    73  
   51    52    53  
   52    53  
   53  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    64    75    77    82    65    73    74  
   62    63    77    73  
   63    64    68    75    76    77    82    83    69    65    66    67    73  
   64    68    75    86    77    82    69    70    71    72    65    66    67    73    74  
   68    75    76    84    86    87    77    69    70    71    72    65    66    67    73  
   66    67    73    74    68    69    77  
   67    73    74  
   73    74  
   75    76    78    84    85    86    87    80    77    82    69    70    71    72  
   70    71    72    75    86  
   71    72  
   72  
    0  
   74  
    0  
   76    78    79    84    86    87    80    81    77    82    83  
   78    79    84    85    86    80    81    77    82  
   82    83    78    80    86  
   79    84    85    86    87    80    81  
   84    85    86    80  
   81    84  
    0  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   570.000  1.307
   47    60   317.000  1.522
   47    73   268.000  1.529
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    77   469.000  1.400
   63    64   469.000  1.400
   63    65   317.000  1.510
   64    68   469.000  1.400
   64    69   317.000  1.510
   68    75   469.000  1.400
   68    86   469.000  1.400
   75    76   469.000  1.400
   75    77   469.000  1.400
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   300.000  1.725
   80    81   553.000  0.945
   77    82   450.000  1.364
   82    83   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    49   367.000  1.471
   43    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
   45    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    73    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    57    80.00000  111.56200
   41    47    48    85.00000  110.90400
   41    47    60    70.00000  109.06800
   41    47    73    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    60    61    80.00000  120.40000
   47    60    62    65.00000  115.47100
   47    73    65    58.35000  112.70000
   47    73    74    37.50000  110.70000
   47    73    39    58.35000  112.70000
   60    47    48    90.00000  108.74100
   60    62    63    60.00000  119.52600
   60    62    77    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    82    70.00000  120.00000
   63    64    68    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    73    70.00000  112.17500
   64    68    75    63.00000  120.00000
   64    68    86    63.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   68    75    76    63.00000  120.00000
   68    75    77    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    75.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    82    70.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    84    63.00000  120.00000
   76    80    81    35.00000  113.00000
   78    84    85    35.00000  120.00000
   78    84    86    63.00000  120.00000
   84    78    79    35.00000  120.00000
   84    86    87    75.00000  120.00000
   86    68    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   80    76    78    70.00000  120.00000
   77    62    63    63.00000  120.00000
   77    75    76    63.00000  120.00000
   77    82    83    35.00000  113.00000
   69    64    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    73    74    37.50000  110.70000
   65    73    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    47    48    50.00000  109.50000
   73    47    60    63.00000  111.10000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    49    75.00000  113.01200
   39    43    53    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   43    53    54    35.00000  109.50000
   43    53    55    35.00000  109.50000
   43    53    56    35.00000  109.50000
   49    43    44    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    38    41    60.00000  120.04000
   45    57    58    35.00000  119.80000
   45    57    59    35.00000  119.80000
   57    45    46    80.00000  122.90000
   59    57    58    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    57   1.59650  1.0 1.0
   33    38    45    57   0.42750 -1.0 2.0
   33    38    45    57  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    49   0.47100  1.0 1.0
   33    39    43    53   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    73   0.62750  1.0 1.0
   34    33    39    73  -0.30950 -1.0 2.0
   34    33    39    73   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    48   0.39000  1.0 1.0
   38    41    47    48  -0.05800 -1.0 2.0
   38    41    47    48  -0.55150  1.0 3.0
   38    41    47    60  -0.51250  1.0 1.0
   38    41    47    60  -0.88800 -1.0 2.0
   38    41    47    60   0.08850  1.0 3.0
   38    41   -47    73   0.09850  1.0 1.0
   38    41   -47    73   0.15250 -1.0 2.0
   38    41   -47    73  -0.50650  1.0 3.0
   38    45    57    58   2.56700 -1.0 2.0
   38    45    57    59   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    57   0.49500  1.0 1.0
   41    38    45    57   1.31600 -1.0 2.0
   41    38    45    57  -0.02300  1.0 3.0
   41    47    60    61   0.30150 -1.0 2.0
   41    47    60    62   0.65300  1.0 1.0
   41    47    60    62  -0.03850 -1.0 2.0
   41    47    60    62   0.33900  1.0 3.0
   41    47    73    65   0.34400  1.0 1.0
   41    47    73    65   0.09450 -1.0 2.0
   41    47    73    65   0.11100  1.0 3.0
   41    47    73    74   0.15000  1.0 3.0
   41    47    73    39   0.34400  1.0 1.0
   41    47    73    39   0.09450 -1.0 2.0
   41    47    73    39   0.11100  1.0 3.0
   42    41    47    48   0.09700  1.0 1.0
   42    41    47    48   0.15600 -1.0 2.0
   42    41    47    48  -0.50800  1.0 3.0
   42    41    47    60   0.09700  1.0 1.0
   42    41    47    60   0.15600 -1.0 2.0
   42    41    47    60  -0.50800  1.0 3.0
   42    41    47    73   0.09700  1.0 1.0
   42    41    47    73   0.15600 -1.0 2.0
   42    41    47    73  -0.50800  1.0 3.0
   47    60    62    63   2.26350  1.0 1.0
   47    60    62    63   0.76750 -1.0 2.0
   47    60    62    63   0.22500  1.0 3.0
   47    60    62    77   2.26350  1.0 1.0
   47    60    62    77   0.76750 -1.0 2.0
   47    60    62    77   0.22500  1.0 3.0
   47    73   -39    33   0.56750  1.0 1.0
   47    73   -39    33  -0.07550 -1.0 2.0
   47    73   -39    33   0.20000  1.0 3.0
   47    73    39    40   0.15000  1.0 3.0
   47    73    39    43   1.36600  1.0 1.0
   47    73    39    43  -0.11450 -1.0 2.0
   47    73    39    43   0.24250  1.0 3.0
   48    47    60    61   0.30150 -1.0 2.0
   48    47    60    62   0.65300  1.0 1.0
   48    47    60    62  -0.03850 -1.0 2.0
   48    47    60    62   0.33900  1.0 3.0
   48    47    73    65   0.62750  1.0 1.0
   48    47    73    65  -0.30950 -1.0 2.0
   48    47    73    65   0.27300  1.0 3.0
   48    47    73    74   0.23400  1.0 3.0
   48    47    73    39   0.62750  1.0 1.0
   48    47    73    39  -0.30950 -1.0 2.0
   48    47    73    39   0.27300  1.0 3.0
   60    47    73    65  -0.95700  1.0 1.0
   60    47    73    65  -0.18200 -1.0 2.0
   60    47    73    65   0.29450  1.0 3.0
   60    47    73    74  -0.11250  1.0 3.0
   60    47    73    39  -0.95700  1.0 1.0
   60    47    73    39  -0.18200 -1.0 2.0
   60    47    73    39   0.29450  1.0 3.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62   -63    65   3.62500 -1.0 2.0
   60    62    77    75   3.62500 -1.0 2.0
   60    62    77    82   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    77   1.05000 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63    64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    73   0.04150 -1.0 2.0
   62    77    82    83   0.84100 -1.0 2.0
   63    62    77    75   3.62500 -1.0 2.0
   63    62    77    82   3.62500 -1.0 2.0
   63    64   -68    75   3.62500 -1.0 2.0
   63    64    68    86   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    72   0.00000  1.0 1.0
   63    65   -73    47  -0.03700  1.0 1.0
   63    65   -73    47   0.37200 -1.0 2.0
   63    65   -73    47  -0.47300  1.0 3.0
   63    65    73    74   0.43200  1.0 3.0
   63    65    73    39  -0.03700  1.0 1.0
   63    65    73    39   0.37200 -1.0 2.0
   63    65    73    39  -0.47300  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    73   0.04150 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    77   3.62500 -1.0 2.0
   64    68    86    84   3.62500 -1.0 2.0
   64    68    86    87   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   68    75    76    78   3.62500 -1.0 2.0
   68    75    76    80   3.62500 -1.0 2.0
   68    75   -77    62   3.62500 -1.0 2.0
   68    75    77    82   3.62500 -1.0 2.0
   75    68    86    84   3.62500 -1.0 2.0
   75    68    86    87   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76   -78    84   3.62500 -1.0 2.0
   75    76    80    81   0.84100 -1.0 2.0
   75    77    82    83   0.84100 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    82   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    84    86   3.62500 -1.0 2.0
   78    76    80    81   0.84100 -1.0 2.0
   78    84   -86    68   3.62500 -1.0 2.0
   78    84    86    87   3.62500 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68   -75    76   3.62500 -1.0 2.0
   86    68    75    77   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   80    76    78    84   3.62500 -1.0 2.0
   77    62   -63    64   3.62500 -1.0 2.0
   77    62    63    65   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   69    64    68    75   3.62500 -1.0 2.0
   69    64    68    86   3.62500 -1.0 2.0
   65    63    64    68   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   65    73    39    33   0.56750  1.0 1.0
   65    73    39    33  -0.07550 -1.0 2.0
   65    73    39    33   0.20000  1.0 3.0
   65    73    39    40   0.15000  1.0 3.0
   65    73    39    43   1.36600  1.0 1.0
   65    73    39    43  -0.11450 -1.0 2.0
   65    73    39    43   0.24250  1.0 3.0
   66    65    73    47   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    39   0.15000  1.0 3.0
   67    65    73    47   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    39   0.15000  1.0 3.0
   73    47    60    61   0.30150 -1.0 2.0
   73    47   -60    62   0.05850 -1.0 2.0
   73    47   -60    62   0.17250  1.0 3.0
   73    39    43    44   0.17350  1.0 3.0
   73    39    43    49   0.47100  1.0 1.0
   73    39    43    53   0.47100  1.0 1.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.15000  1.0 3.0
   39    43    53    54   0.15000  1.0 3.0
   39    43    53    55   0.15000  1.0 3.0
   39    43    53    56   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    53   0.15000  1.0 3.0
   44    43    49    50   0.13050  1.0 3.0
   44    43    49    51   0.13050  1.0 3.0
   44    43    49    52   0.13050  1.0 3.0
   44    43    53    54   0.13050  1.0 3.0
   44    43    53    55   0.13050  1.0 3.0
   44    43    53    56   0.13050  1.0 3.0
   49    43    53    54   0.15000  1.0 3.0
   49    43    53    55   0.15000  1.0 3.0
   49    43    53    56   0.15000  1.0 3.0
   53    43    49    50   0.15000  1.0 3.0
   53    43    49    51   0.15000  1.0 3.0
   53    43    49    52   0.15000  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    57    58   2.45000 -1.0 2.0
   46    45    57    59   2.45000 -1.0 2.0
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    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    62    60    61  10.50000 -1.0 2.0
   63    77    62    60   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   68    69    64    63   4.00000 -1.0 2.0
   75    86    68    64   4.00000 -1.0 2.0
   76    77    75    68   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   84    79    78    76   1.10000 -1.0 2.0
   86    85    84    78   1.10000 -1.0 2.0
   84    87    86    68   4.00000 -1.0 2.0
   75    82    77    62   4.00000 -1.0 2.0
   38    57    45    46  10.50000 -1.0 2.0
   59    45    57    58   1.00000 -1.0 2.0
END
