* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    163    239     470
    1     0 S   NP   _N1_     1    29.80014   100.83943   -20.79783
    2     1 S   H    _HN1     2     1.02940    44.91826    21.04383
    3     1 S   H    _H1_     3     1.02824    71.30970   161.99099
    4     1 S   H    _H2_     4     1.02797    94.56518   -90.62420
    5     1 S   CT   _CA1     5     1.50128   149.92759    62.76957
    6     5 S   HC   _HA1     6     1.09569   105.11667   147.47010
    7     5 S   CO3  _C1_     7     1.53713   112.77186    27.32642
    8     7 S   O2Z  _O11     8     1.26387   114.99300   -35.37451
    9     7 S   O2Z  _O12     9     1.26243   114.99692   143.85143
   10     5 S   CT   _CB1    10     1.53056   107.43555   -94.41341
   11    10 S   HC   HB11    11     1.09843   109.29277   -48.28568
   12    10 S   HC   HB12    12     1.09813   110.45569    68.32783
   13    10 S   CT   _CG1    13     1.53015   112.68546  -169.21727
   14    13 S   HC   HG11    14     1.09542   110.81996   -70.75603
   15    13 S   HC   HG12    15     1.09658   109.64003    48.46592
   16    13 S   C    _CD1    16     1.51776   111.72416   169.21504
   17    16 S   O    _OE1    17     1.22752   123.05407    21.12275
   18    16 S   N    _N2_    18     1.38535   111.91409  -159.36881
   19    18 S   H    _HN2    19     1.01544   118.93211     1.17520
   20    18 S   CT1  _CA2    20     1.46252   123.54825   176.46548
   21    20 S   HC   _HA2    21     1.09728   109.50618     3.79932
   22    20 S   C    _C2_    22     1.53541   108.41506  -111.74706
   23    22 S   O    _O2_    23     1.23047   122.28014  -147.33316
   24    20 S   CT   _CB2    32     1.53259   111.15363   126.09097
   25    24 S   HC   HB21    33     1.09366   109.39155    56.49661
   26    24 S   HC   HB22    34     1.09510   110.71316   174.62331
   27    22 S   N    _N3_    24     1.38325   113.65167    39.98820
   28    27 S   H    _HN3    25     1.01572   119.55129    -2.96121
   29    24 S   S    _SG2    35     1.82947   110.78821   -66.71496
   30    27 S   CT   _CA3    26     1.45275   123.35582   177.41162
   31    30 S   HC   HA31    27     1.09544   107.47674   -66.00254
   32    30 S   HC   HA32    28     1.09553   108.05259    50.48244
   33    29 S   CT   _C11    36     1.86190   102.04992   138.86012
   34    30 S   CO3  _C3_    29     1.52994   113.98434   172.50810
   35    34 S   O2Z  _O31    30     1.26395   116.06556    -0.55036
   36    34 S   O2Z  _O32    31     1.26419   114.42708   179.52071
   37    33 S   CT   _C7_    37     1.56172   111.19919  -175.29930
   38    37 S   HC   _H3_    38     1.09993   107.34463  -176.36154
   39    33 S   CT   _C12    77     1.54887   108.75367    60.91228
   40    39 S   HC   _H11    78     1.09703   110.63871    54.15746
   41    39 S   HC   _H12    79     1.09620   111.38548   -66.35431
   42    37 S   CT   _C8_    39     1.56779   112.72956    66.48974
   43    42 S   HC   _H4_    40     1.09496   107.73714   -73.46005
   44    37 S   CO4  _C6_    67     1.52625   112.53857   -59.83498
   45    44 S   O    _O34    68     1.22340   125.00475    86.27500
   46    39 S   OS   _O35    80     1.43219   109.97977   174.16810
   47    42 S   CA   _C18    41     1.53675   110.33360   167.36521
   48    42 S   CM   _C9_    52     1.52805   111.54360    41.87468
   49    44 S   OS   _O33    69     1.36639   109.69428   -93.56675
   50    46 S   CT   _C13    81     1.42671   112.15245  -176.94008
   51    50 S   HC   _H13    82     1.09616   109.88657    58.93663
   52    50 S   HC   _H14    83     1.09554   109.26365   -60.58831
   53    47 S   CA   _C19    42     1.41076   119.23133   -63.88471
   54    53 S   HA   _H26    43     1.08808   120.43738    -0.64982
   55    48 S   CM   _C10    53     1.35089   122.16511   -13.36799
   56    48 S   CO4  _C16    60     1.48255   117.72088   165.80312
   57    56 S   O    _O36    61     1.22119   124.16328  -118.63612
   58    49 S   CT   _C5_    70     1.43493   115.24543   179.92598
   59    58 S   HC   _H8_    71     1.09559   109.69297   -57.43261
   60    58 S   HC   _H9_    72     1.09543   109.35148    62.91755
   61    50 S   CT   _C14    84     1.51932   108.40800  -179.87180
   62    61 S   HC   _H15    85     1.09301   112.02665   176.95226
   63    61 S   HC   _H16    86     1.09378   111.77698    52.46752
   64    53 S   CA   _C20    44     1.39569   121.43616   179.98022
   65    64 S   HA   _H27    45     1.08627   119.97130   179.91844
   66    33 S   NE   _N4_    54     1.46404   109.15769   -57.96076
   67    66 S   H    _H10    55     1.01521   118.17253    87.23725
   68    55 S   CT   _C15    56     1.50777   124.56503   179.37099
   69    68 S   HC   _H20    57     1.09596   110.30511   133.78956
   70    68 S   HC   _H21    58     1.09299   113.58333    14.56537
   71    68 S   HC   _H22    59     1.09486   109.97910  -107.00959
   72    56 S   OS   _O37    62     1.35792   108.33410    60.17139
   73    58 S   CT   _C4_    73     1.51525   108.24055  -177.26663
   74    73 S   HC   _H5_    74     1.09495   110.64899   -58.36051
   75    73 S   HC   _H6_    75     1.09491   110.53874    59.94722
   76    73 S   HC   _H7_    76     1.09351   110.91000  -179.30339
   77    61 S   NP   _N5_    87     1.48579   109.14916   -64.69693
   78    77 S   H    _H17    88     1.02830   111.36492   175.60662
   79    77 S   H    _H18    89     1.02961   110.90263    55.80023
   80    77 S   H    _H19    90     1.02824   111.72950   -64.11800
   81    64 S   CA   _C21    46     1.38958   119.97208     0.19782
   82    81 S   HA   _H28    47     1.08612   120.12181   179.90721
   83    72 S   CT   _C17    63     1.43002   115.17828  -177.51659
   84    83 S   HC   _H23    64     1.09315   108.09547  -169.45398
   85    83 S   HC   _H24    65     1.09395   109.65571    72.10870
   86    83 S   HC   _H25    66     1.09392   111.03929   -50.28799
   87    81 S   CA   _C22    48     1.39260   119.80706     0.26980
   88    87 S   HA   _H29    49     1.08756   118.90483   179.56479
   89    47 S   CA   _C23    50     1.40860   123.11918   116.82094
   90    89 S   Cl   Cl1_    51     1.72981   122.66771     0.49575
  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
  18   2   1   1  19   9  12   4   3  18   7   9   2   8  12  13
   7   9   5   4   8   4   9   8   2   6   5   4   6   5   4   6
   3   5   1   3   2   1   1   4   3   2   1   1   3   2   1   1
   5   3   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    66    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    66    67    44    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    55    66    67    68    44    45    49    39    40    41    46    50  
   35    36  
   36  
    0  
   38    42    43    47    53    89    48    55    66    67    56    44    45    49    58    39    40    41    46  
   42    43    47    48    66    44    45    49    39  
   40    41    46    50    51    52    61    42    44    55    66    67  
   41    46    50    66  
   46    50    66  
   43    47    53    54    64    87    89    90    48    55    66    68    56    57    72    44    45    49  
   47    53    89    48    55    56    44  
   45    49    58    59    60    73    47    48    66  
   49    58  
   50    51    52    61    62    63    77    66  
   53    54    64    65    81    87    88    89    90    48    55    56  
   55    66    67    68    69    70    71    56    57    72    83    53    89  
   58    59    60    73    74    75    76  
   51    52    61    62    63    77    78    79    80  
   52    61    62    63    77  
   61    62    63    77  
   54    64    65    81    82    87    89    90  
   64    65    81    89  
   66    67    68    69    70    71    56    57    72  
   57    72    83    84    85    86    66    68  
   72    83  
   59    60    73    74    75    76  
   60    73    74    75    76  
   73    74    75    76  
   62    63    77    78    79    80  
   63    77    78    79    80  
   77    78    79    80  
   65    81    82    87    88    89  
   81    82    87  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   83    84    85    86  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    87    88    89    90  
   87    88    89  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.034400   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   90   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    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   268.000  1.529
   33    66   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   317.000  1.522
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    48   317.000  1.510
   47    53   469.000  1.400
   47    89   469.000  1.400
   53    54   367.000  1.080
   53    64   469.000  1.400
   64    65   367.000  1.080
   64    81   469.000  1.400
   81    82   367.000  1.080
   81    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   300.000  1.725
   48    55   549.000  1.340
   48    56   320.000  1.462
   55    66   425.000  1.378
   55    68   317.000  1.510
   66    67   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   570.000  1.229
   56    72   214.000  1.327
   72    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    77   367.000  1.471
   77    78   434.000  1.010
   77    79   434.000  1.010
   77    80   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    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  111.63000
   29    33    66    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    63.00000  111.10000
   33    66    55    50.00000  121.00000
   33    66    67    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    47    70.00000  112.17500
   37    42    48    70.00000  112.02700
   37    44    45    80.00000  120.40000
   37    44    49    81.00000  111.40000
   42    37    38    37.50000  110.70000
   42    47    53    70.00000  120.00000
   42    47    89    70.00000  120.00000
   42    48    55    70.00000  124.00000
   42    48    56    65.00000  116.34900
   47    42    43    35.00000  109.50000
   47    53    54    35.00000  120.00000
   47    53    64    63.00000  120.00000
   47    89    87    63.00000  120.00000
   47    89    90    75.00000  120.00000
   53    64    65    35.00000  120.00000
   53    64    81    63.00000  120.00000
   64    53    54    35.00000  120.00000
   64    81    82    35.00000  120.00000
   64    81    87    63.00000  120.00000
   81    64    65    35.00000  120.00000
   81    87    88    35.00000  120.00000
   81    87    89    63.00000  120.00000
   87    81    82    35.00000  120.00000
   87    89    90    75.00000  120.00000
   89    47    53    63.00000  120.00000
   89    87    88    35.00000  120.00000
   48    42    43    35.00000  109.50000
   48    42    47    70.00000  112.99600
   48    55    66    70.00000  124.03900
   48    55    68    70.00000  124.00000
   48    56    57    80.00000  123.72100
   48    56    72    90.00000  111.29400
   55    66    67    35.00000  114.50000
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    71    35.00000  109.50000
   66    33    37    80.00000  111.61500
   68    55    66    75.00000  116.24600
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    48    55    65.00000  118.96000
   56    72    83    83.00000  116.90000
   72    56    57    83.00000  123.40000
   72    83    84    35.00000  109.50000
   72    83    85    35.00000  109.50000
   72    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    42    63.00000  111.10000
   44    49    58    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    58    59    35.00000  109.50000
   49    58    60    35.00000  109.50000
   49    58    73    50.00000  109.50000
   58    73    74    37.50000  110.70000
   58    73    75    37.50000  110.70000
   58    73    76    37.50000  110.70000
   60    58    59    33.00000  107.80000
   73    58    59    37.50000  110.70000
   73    58    60    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    66    80.00000  111.61500
   39    46    50    60.00000  109.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    61    50.00000  109.50000
   50    61    62    37.50000  110.70000
   50    61    63    37.50000  110.70000
   50    61    77    80.00000  111.20000
   52    50    51    33.00000  107.80000
   61    50    51    37.50000  110.70000
   61    50    52    37.50000  110.70000
   61    77    78    35.00000  109.50000
   61    77    79    35.00000  109.50000
   61    77    80    35.00000  109.50000
   63    61    62    33.00000  107.80000
   77    61    62    35.00000  109.50000
   77    61    63    35.00000  109.50000
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    66    55  -0.12500  1.0 1.0
   29    33    66    55  -0.12500 -1.0 2.0
   29    33    66    55   0.25000  1.0 3.0
   29    33    66    67  -0.12500  1.0 1.0
   29    33    66    67  -0.12500 -1.0 2.0
   29    33    66    67   0.25000  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    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    47  -0.03700  1.0 1.0
   33    37    42    47   0.37200 -1.0 2.0
   33    37    42    47  -0.47300  1.0 3.0
   33    37    42    48   0.34400  1.0 1.0
   33    37    42    48   0.09450 -1.0 2.0
   33    37    42    48   0.11100  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    49   0.36750  1.0 3.0
   33    39    46    50   0.06250  1.0 1.0
   33    39    46    50  -0.01100 -1.0 2.0
   33    39    46    50   0.28050  1.0 3.0
   37    33    66    55   0.25450  1.0 1.0
   37    33    66    55  -0.61700 -1.0 2.0
   37    33    66    55  -0.23550  1.0 3.0
   37    33    66    67   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46   0.62750  1.0 1.0
   37    33    39    46  -0.30950 -1.0 2.0
   37    33    39    46   0.27300  1.0 3.0
   37    42    47    53   0.04150 -1.0 2.0
   37    42    47    89   0.04150 -1.0 2.0
   37    42   -48    55   0.09850  1.0 1.0
   37    42   -48    55   0.15250 -1.0 2.0
   37    42   -48    55  -0.50650  1.0 3.0
   37    42    48    56   0.09700  1.0 1.0
   37    42    48    56   0.15600 -1.0 2.0
   37    42    48    56  -0.50800  1.0 3.0
   37    44    49    58   1.63150  1.0 1.0
   37    44    49    58   2.92000 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.43200  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    49   0.00000  1.0 1.0
   42    37    44    45   0.30150 -1.0 2.0
   42    37    44    49   0.36750  1.0 3.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47    53    64   3.62500 -1.0 2.0
   42    47    89    87   3.62500 -1.0 2.0
   42    47    89    90   3.62500 -1.0 2.0
   42    48    55    66   7.00000 -1.0 2.0
   42    48    55    68   7.00000 -1.0 2.0
   42    48    56    57  -0.64400  1.0 1.0
   42    48    56    57   0.26850 -1.0 2.0
   42    48    56    72  -0.15000  1.0 1.0
   42    48    56    72   0.89550 -1.0 2.0
   42    48    56    72  -0.06900  1.0 3.0
   43    42    47    53   0.00000  1.0 1.0
   43    42    47    89   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   43    42    48    56   0.15000  1.0 3.0
   47    42    48    55   1.44450  1.0 1.0
   47    42    48    55   0.06600 -1.0 2.0
   47    42    48    55   0.29250  1.0 3.0
   47    42    48    56   0.09700  1.0 1.0
   47    42    48    56   0.15600 -1.0 2.0
   47    42    48    56  -0.50800  1.0 3.0
   47    53    64    65   3.62500 -1.0 2.0
   47    53    64    81   3.62500 -1.0 2.0
   53    47    89    87   3.62500 -1.0 2.0
   53    47    89    90   3.62500 -1.0 2.0
   53    64    81    82   3.62500 -1.0 2.0
   53    64   -81    87   3.62500 -1.0 2.0
   54    53    64    65   3.62500 -1.0 2.0
   54    53    64    81   3.62500 -1.0 2.0
   64    81    87    88   3.62500 -1.0 2.0
   64    81    87    89   3.62500 -1.0 2.0
   65    64    81    82   3.62500 -1.0 2.0
   65    64    81    87   3.62500 -1.0 2.0
   81    87   -89    47   3.62500 -1.0 2.0
   81    87    89    90   3.62500 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   82    81    87    89   3.62500 -1.0 2.0
   88    87    89    47   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   89    47    53    54   3.62500 -1.0 2.0
   89    47   -53    64   3.62500 -1.0 2.0
   48    42    47    53   0.18050 -1.0 2.0
   48    42    47    89   0.18050 -1.0 2.0
   48    55   -66    33  -0.54700  1.0 1.0
   48    55   -66    33   1.23000 -1.0 2.0
   48    55    66    67   1.00000 -1.0 2.0
   48    55    68    69   0.00000  1.0 1.0
   48    55    68    70   0.00000  1.0 1.0
   48    55    68    71   0.00000  1.0 1.0
   48    56    72    83   2.00000 -1.0 2.0
   55    48    56    57   1.00000 -1.0 2.0
   55    48    56    72  -0.56150  1.0 1.0
   55    48    56    72   2.19150 -1.0 2.0
   66    33    37    38   0.22950  1.0 3.0
   66    33   -37    42   1.26750  1.0 1.0
   66    33   -37    42  -0.00950 -1.0 2.0
   66    33   -37    42   0.30600  1.0 3.0
   66    33    37    44  -2.10200  1.0 1.0
   66    33    37    44  -0.31600 -1.0 2.0
   66    33    37    44   0.13050  1.0 3.0
   66    33    39    40   0.22950  1.0 3.0
   66    33    39    41   0.22950  1.0 3.0
   66    33    39    46   2.03850  1.0 1.0
   66    33    39    46  -0.40600 -1.0 2.0
   66    55    68    69  -0.18050  1.0 3.0
   66    55    68    70  -0.18050  1.0 3.0
   66    55    68    71  -0.18050  1.0 3.0
   68    55    66    33   1.00000 -1.0 2.0
   68    55    66    67   2.40850 -1.0 2.0
   56    48    55    66   7.00000 -1.0 2.0
   56    48    55    68   7.00000 -1.0 2.0
   56    72    83    84   0.08050  1.0 3.0
   56    72    83    85   0.08050  1.0 3.0
   56    72    83    86   0.08050  1.0 3.0
   57    56    72    83   3.00000 -1.0 2.0
   44    37    42    43  -0.11250  1.0 3.0
   44    37    42    47   0.56750  1.0 1.0
   44    37    42    47  -0.07550 -1.0 2.0
   44    37    42    47   0.20000  1.0 3.0
   44    37    42    48  -0.98800  1.0 1.0
   44    37    42    48   0.48800 -1.0 2.0
   44    37    42    48   0.76800  1.0 3.0
   44    49    58    59   0.08050  1.0 3.0
   44    49    58    60   0.08050  1.0 3.0
   44    49    58    73  -0.25900  1.0 1.0
   44    49    58    73  -0.47000 -1.0 2.0
   44    49    58    73   0.11750  1.0 3.0
   45    44    49    58   3.00000 -1.0 2.0
   49    58    73    74   0.23400  1.0 3.0
   49    58    73    75   0.23400  1.0 3.0
   49    58    73    76   0.23400  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    75   0.15000  1.0 3.0
   59    58    73    76   0.15000  1.0 3.0
   60    58    73    74   0.15000  1.0 3.0
   60    58    73    75   0.15000  1.0 3.0
   60    58    73    76   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33    66    55   0.25450  1.0 1.0
   39    33    66    55  -0.61700 -1.0 2.0
   39    33    66    55  -0.23550  1.0 3.0
   39    33    66    67   0.00000  1.0 1.0
   39    46    50    51   0.37050  1.0 3.0
   39    46    50    52   0.37050  1.0 3.0
   39    46    50    61   0.06250  1.0 1.0
   39    46    50    61  -0.01100 -1.0 2.0
   39    46    50    61   0.28050  1.0 3.0
   40    39    46    50   0.37050  1.0 3.0
   41    39    46    50   0.37050  1.0 3.0
   46    50    61    62   0.23400  1.0 3.0
   46    50    61    63   0.23400  1.0 3.0
   46    50    61    77   1.69300  1.0 1.0
   46    50    61    77  -0.48450 -1.0 2.0
   50    61    77    78   0.17350  1.0 3.0
   50    61    77    79   0.17350  1.0 3.0
   50    61    77    80   0.17350  1.0 3.0
   51    50    61    62   0.15000  1.0 3.0
   51    50    61    63   0.15000  1.0 3.0
   51    50    61    77   0.19200  1.0 3.0
   52    50    61    62   0.15000  1.0 3.0
   52    50    61    63   0.15000  1.0 3.0
   52    50    61    77   0.19200  1.0 3.0
   62    61    77    78   0.13050  1.0 3.0
   62    61    77    79   0.13050  1.0 3.0
   62    61    77    80   0.13050  1.0 3.0
   63    61    77    78   0.13050  1.0 3.0
   63    61    77    79   0.13050  1.0 3.0
   63    61    77    80   0.13050  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
   53    89    47    42   4.00000 -1.0 2.0
   64    54    53    47   1.10000 -1.0 2.0
   81    65    64    53   1.10000 -1.0 2.0
   87    82    81    64   1.10000 -1.0 2.0
   89    88    87    81   1.10000 -1.0 2.0
   87    90    89    47   4.00000 -1.0 2.0
   42    56    48    55   1.10000 -1.0 2.0
   68    66    55    48   1.10000 -1.0 2.0
   67    55    66    33   1.00000 -1.0 2.0
   48    72    56    57  10.50000 -1.0 2.0
   37    49    44    45  10.50000 -1.0 2.0
END
