* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    254     486
    1     0 S   NP   _N1_     1    30.81366    98.23784   -15.89229
    2     1 S   H    _HN1     2     1.02781    52.84734   -96.26511
    3     1 S   H    _H1_     3     1.02951    78.12896    27.98450
    4     1 S   H    _H2_     4     1.02832    76.92714   138.90466
    5     1 S   CT   _CA1     5     1.50163   165.05398   -98.48314
    6     5 S   HC   _HA1     6     1.09572   105.18085   -59.39335
    7     5 S   CO3  _C1_     7     1.53913   112.19978  -179.51463
    8     7 S   O2Z  _O11     8     1.26388   114.98140   -44.73721
    9     7 S   O2Z  _O12     9     1.26237   114.99048   134.08117
   10     5 S   CT   _CB1    10     1.53123   107.35946    58.50750
   11    10 S   HC   HB11    11     1.09822   109.55421   -48.57652
   12    10 S   HC   HB12    12     1.09799   110.40299    68.05595
   13    10 S   CT   _CG1    13     1.52934   112.51417  -169.49702
   14    13 S   HC   HG11    14     1.09525   110.52158   -60.61630
   15    13 S   HC   HG12    15     1.09662   109.91949    58.33141
   16    13 S   C    _CD1    16     1.51896   112.44067   178.56796
   17    16 S   O    _OE1    17     1.22697   123.39180    -5.34328
   18    16 S   N    _N2_    18     1.38537   111.44015   175.19319
   19    18 S   H    _HN2    19     1.01621   118.70665     0.20463
   20    18 S   CT1  _CA2    20     1.46189   123.89807   178.88724
   21    20 S   HC   _HA2    21     1.09726   109.43246   -12.53927
   22    20 S   C    _C2_    22     1.53488   107.80853  -127.78551
   23    22 S   O    _O2_    23     1.23012   122.56120  -146.71266
   24    20 S   CT   _CB2    32     1.53434   111.31788   110.09007
   25    24 S   HC   HB21    33     1.09501   109.83863    49.52929
   26    24 S   HC   HB22    34     1.09497   110.51064   167.77963
   27    22 S   N    _N3_    24     1.38425   113.36855    40.82022
   28    27 S   H    _HN3    25     1.01650   119.48459    -3.67626
   29    24 S   S    _SG2    35     1.83585   111.74739   -74.20833
   30    27 S   CT   _CA3    26     1.45285   123.09680   176.95072
   31    30 S   HC   HA31    27     1.09553   107.54245   -63.29811
   32    30 S   HC   HA32    28     1.09559   107.91941    53.09614
   33    29 S   CT   _C7_    36     1.87656   101.88039   135.84572
   34    30 S   CO3  _C3_    29     1.52925   114.16185   175.06676
   35    34 S   O2Z  _O31    30     1.26360   116.06635    -0.74651
   36    34 S   O2Z  _O32    31     1.26432   114.40738   179.30058
   37    33 S   CO4  _C8_    37     1.54587   108.56605    51.11092
   38    37 S   O    _O33    38     1.22559   124.96551    26.75818
   39    33 S   CT   _C6_    64     1.57515   106.28945   -67.85689
   40    39 S   HC   _H10    65     1.09481   109.05926   117.88997
   41    39 S   HC   _H11    66     1.09667   110.73358     6.96275
   42    33 S   CT   _C20    79     1.56572   108.36962   166.07073
   43    42 S   HC   _H6_    80     1.09474   109.66347    66.39559
   44    37 S   OS   _O34    39     1.37013   110.47145  -156.50313
   45    42 S   CT   _C21    81     1.53430   116.44457   -55.54925
   46    45 S   HC   _H25    82     1.09460   111.61952   -62.22454
   47    45 S   HC   _H26    83     1.09659   109.81816  -179.22317
   48    45 S   HC   _H27    84     1.09241   112.88681    61.07571
   49    42 S   OH   _O38    85     1.43291   109.86938  -176.36778
   50    49 S   HO   _H28    86     0.97264   107.72810  -173.31241
   51    44 S   CT   _C9_    40     1.42571   117.28292  -179.62885
   52    51 S   HC   _H4_    41     1.09949   109.15712    52.66375
   53    51 S   CT   _C10    42     1.52140   112.47193   -69.26427
   54    53 S   HC   _H12    43     1.09391   112.58581    79.01637
   55    53 S   HC   _H13    44     1.09685   111.02258   -41.59899
   56    53 S   CT   _C11    45     1.51198   101.83545  -161.05514
   57    56 S   HC   _H14    46     1.09526   112.94055   164.64072
   58    56 S   HC   _H15    47     1.09709   109.74652   -76.31386
   59    56 S   NT   _N4_    48     1.46907   105.05739    39.92969
   60    59 S   CT   _C15    49     1.47974   111.62935    90.50255
   61    60 S   HC   _H17    50     1.09465   109.05837   113.63791
   62    60 S   HC   _H18    51     1.09627   113.64286    -7.29046
   63    60 S   CM   _C14    52     1.48385   106.03769  -127.40661
   64    63 S   HC   _H16    53     1.08067   123.57472  -169.89267
   65    63 S   CM   _C13    54     1.33638   111.26584     7.48821
   66    65 S   CT   _C16    55     1.49580   124.34816  -170.79551
   67    66 S   HC   _H19    56     1.09764   111.30957    20.48938
   68    66 S   HC   _H20    57     1.09570   109.39803   136.98446
   69    51 S   CT   _C12    77     1.54243   113.40435   173.34021
   70    69 S   HC   _H5_    78     1.09703   109.45012   -98.97826
   71    66 S   OS   _O35    58     1.43602   113.71243  -103.42386
   72    71 S   CO4  _C17    59     1.36462   117.61637    81.39519
   73    72 S   O    _O36    60     1.22667   125.25776    -6.49764
   74    72 S   CT   _C18    61     1.53776   111.75419   170.82742
   75    74 S   CT   _C5_    62     1.55921   113.96899    26.34561
   76    75 S   HC   _H3_    63     1.09075   106.58200   -59.76548
   77    74 S   CT   _C19    71     1.53454   106.71567   -98.04661
   78    77 S   HC   _H21    72     1.09480   111.63127  -166.18788
   79    77 S   HC   _H22    73     1.09506   111.43277    71.48025
   80    77 S   HC   _H23    74     1.09690   111.03000   -48.40516
   81    74 S   OH   _O37    75     1.42796   106.55466   146.31655
   82    81 S   HO   _H24    76     0.97318   108.43094    66.38043
   83    75 S   CT   _C4_    67     1.53874   112.01317  -176.60270
   84    83 S   HC   _H7_    68     1.09323   111.46334   -53.17604
   85    83 S   HC   _H8_    69     1.09341   111.78929  -173.37925
   86    83 S   HC   _H9_    70     1.09439   111.07390    67.33044
  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  12   5   4   3
  19   2   1   1  14   4  17   6   5   9   6  10   5   3   2   1
   1   1  14   8  10   6   5  10   4   3   9   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  12  11   6   6   3   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    75    39    40    41    42    43    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    74    75    76    39    40    41    83    42    43    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    44    51    52    53    75    39    40    41    69    42    43    45    49  
   44    51    39    42  
   40    41    83    84    85    86    77    81    42    43    45    49    44    72    74    75    76  
   41    83    42    74    75    76  
   83    42    74    75    76  
   43    45    46    47    48    49    50    44    75  
   45    46    47    48    49    50  
   51    52    53    54    55    56    59    65    69    70  
   46    47    48    49    50  
   47    48    49  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   53    54    55    56    59    65    69    70  
   54    55    56    57    58    59    60    65    69    70  
   55    56    57    58    59    69  
   56    57    58    59    69  
   57    58    59    60    61    62    63    65    69    70  
   58    59    60    69  
   59    60    69  
   60    61    62    63    64    65    66    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    81  
   73    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   214.000  1.327
   44    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   382.000  1.448
   59    60   382.000  1.448
   59    69   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    39   268.000  1.529
   75    83   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   69    70   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    81.00000  111.40000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   37    44    51    83.00000  116.90000
   44    37    38    83.00000  123.40000
   44    51    52    35.00000  109.50000
   44    51    53    50.00000  109.50000
   44    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    69    59    56.20000  109.47000
   51    69    65    70.00000  112.02700
   51    69    70    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    56.20000  109.47000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    51.80000  107.20000
   56    59    69    51.80000  107.20000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    75.00000  110.70900
   59    69    65    75.00000  110.70900
   59    69    70    35.00000  109.50000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    81    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    39    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    39    40    37.50000  110.70000
   75    39    41    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    75    76    37.50000  110.70000
   41    39    40    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    39    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    59    60    51.80000  107.20000
   69    65    66    65.00000  117.92700
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   45    42    43    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.40000  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    37    44    51   1.63150  1.0 1.0
   33    37    44    51   2.92000 -1.0 2.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   37    33    39    75  -0.95700  1.0 1.0
   37    33    39    75  -0.18200 -1.0 2.0
   37    33    39    75   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    45  -0.95700  1.0 1.0
   37    33    42    45  -0.18200 -1.0 2.0
   37    33    42    45   0.29450  1.0 3.0
   37    33    42    49  -0.09450  1.0 1.0
   37    33    42    49  -1.12950 -1.0 2.0
   37    33    42    49   0.54000  1.0 3.0
   37    44    51    52   0.08050  1.0 3.0
   37    44    51    53  -0.25900  1.0 1.0
   37    44    51    53  -0.47000 -1.0 2.0
   37    44    51    53   0.11750  1.0 3.0
   37    44    51    69  -0.25900  1.0 1.0
   37    44    51    69  -0.47000 -1.0 2.0
   37    44    51    69   0.11750  1.0 3.0
   38    37    44    51   3.00000 -1.0 2.0
   44    51    53    54   0.23400  1.0 3.0
   44    51    53    55   0.23400  1.0 3.0
   44    51    53    56   0.62750  1.0 1.0
   44    51    53    56  -0.30950 -1.0 2.0
   44    51    53    56   0.27300  1.0 3.0
   44    51    69    59   1.74050  1.0 1.0
   44    51    69    65   0.61850  1.0 1.0
   44    51    69    65  -0.22750 -1.0 2.0
   44    51    69    65   0.15300  1.0 3.0
   44    51    69    70   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.53400  1.0 1.0
   51    53   -56    59  -0.09950 -1.0 2.0
   51    53   -56    59   0.05700  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    69    59   0.15000  1.0 3.0
   52    51    69    65   0.15000  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   53    51   -69    59   1.53400  1.0 1.0
   53    51   -69    59  -0.09950 -1.0 2.0
   53    51   -69    59   0.05700  1.0 3.0
   53    51    69    65   0.34400  1.0 1.0
   53    51    69    65   0.09450 -1.0 2.0
   53    51    69    65   0.11100  1.0 3.0
   53    51    69    70   0.15000  1.0 3.0
   53    56    59    60   0.23450  1.0 1.0
   53    56    59    60   0.02050 -1.0 2.0
   53    56    59    60   0.25250  1.0 3.0
   53    56   -59    69   0.23450  1.0 1.0
   53    56   -59    69   0.02050 -1.0 2.0
   53    56   -59    69   0.25250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    60    61   0.28000  1.0 3.0
   56    59    60    62   0.28000  1.0 3.0
   56    59    60    63  -0.60800  1.0 1.0
   56    59    60    63   1.10050 -1.0 2.0
   56    59    60    63   0.47000  1.0 3.0
   56    59   -69    51   0.23450  1.0 1.0
   56    59   -69    51   0.02050 -1.0 2.0
   56    59   -69    51   0.25250  1.0 3.0
   56    59    69    65  -0.60800  1.0 1.0
   56    59    69    65   1.10050 -1.0 2.0
   56    59    69    65   0.47000  1.0 3.0
   56    59    69    70   0.28000  1.0 3.0
   57    56    59    60   0.28000  1.0 3.0
   57    56    59    69   0.28000  1.0 3.0
   58    56    59    60   0.28000  1.0 3.0
   58    56    59    69   0.28000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   59    60   -63    65   0.90200  1.0 1.0
   59    60   -63    65   0.57900 -1.0 2.0
   59    60   -63    65  -0.62100  1.0 3.0
   60    59    69    51   0.23450  1.0 1.0
   60    59    69    51   0.02050 -1.0 2.0
   60    59    69    51   0.25250  1.0 3.0
   60    59   -69    65  -0.60800  1.0 1.0
   60    59   -69    65   1.10050 -1.0 2.0
   60    59   -69    65   0.47000  1.0 3.0
   60    59    69    70   0.28000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    51   0.09850  1.0 1.0
   63    65    69    51   0.15250 -1.0 2.0
   63    65    69    51  -0.50650  1.0 3.0
   63    65   -69    59   0.90200  1.0 1.0
   63    65   -69    59   0.57900 -1.0 2.0
   63    65   -69    59  -0.62100  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    51   0.46850  1.0 1.0
   66    65    69    51   0.08550 -1.0 2.0
   66    65    69    51   0.09800  1.0 3.0
   66    65    69    59   0.52100  1.0 1.0
   66    65    69    59  -0.20350 -1.0 2.0
   66    65    69    59   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    81   0.30750  1.0 1.0
   71    72    74    81   1.13850 -1.0 2.0
   71    72    74    81   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    39  -0.95700  1.0 1.0
   72    74    75    39  -0.18200 -1.0 2.0
   72    74    75    39   0.29450  1.0 3.0
   72    74    75    83  -0.95700  1.0 1.0
   72    74    75    83  -0.18200 -1.0 2.0
   72    74    75    83   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    80  -0.11250  1.0 3.0
   72    74    81    82   0.91850  1.0 1.0
   72    74    81    82   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    81   0.30150 -1.0 2.0
   74    75    39    33   0.56750  1.0 1.0
   74    75    39    33  -0.07550 -1.0 2.0
   74    75    39    33   0.20000  1.0 3.0
   74    75    39    40   0.15000  1.0 3.0
   74    75    39    41   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    44   0.36750  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    45   0.56750  1.0 1.0
   39    33    42    45  -0.07550 -1.0 2.0
   39    33    42    45   0.20000  1.0 3.0
   39    33    42    49   0.86500  1.0 1.0
   39    33    42    49  -0.17500 -1.0 2.0
   39    33    42    49   0.20800  1.0 3.0
   39    75    83    84   0.15000  1.0 3.0
   39    75    83    85   0.15000  1.0 3.0
   39    75    83    86   0.15000  1.0 3.0
   83    75    39    33   0.56750  1.0 1.0
   83    75    39    33  -0.07550 -1.0 2.0
   83    75    39    33   0.20000  1.0 3.0
   83    75    39    40   0.15000  1.0 3.0
   83    75    39    41   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    39   0.56750  1.0 1.0
   77    74    75    39  -0.07550 -1.0 2.0
   77    74    75    39   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    39   0.86500  1.0 1.0
   81    74    75    39  -0.17500 -1.0 2.0
   81    74    75    39   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51    53    55   0.15000  1.0 3.0
   69    51   -53    56   0.56750  1.0 1.0
   69    51   -53    56  -0.07550 -1.0 2.0
   69    51   -53    56   0.20000  1.0 3.0
   69    59    60    61   0.28000  1.0 3.0
   69    59    60    62   0.28000  1.0 3.0
   69    59   -60    63  -0.60800  1.0 1.0
   69    59   -60    63   1.10050 -1.0 2.0
   69    59   -60    63   0.47000  1.0 3.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.36750  1.0 3.0
   42    33    39    75   0.56750  1.0 1.0
   42    33    39    75  -0.07550 -1.0 2.0
   42    33    39    75   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
