* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    153    244     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093   103.27461   -39.25050
    3     1 S   H    _H1_     3     1.02051    71.53469    66.34722
    4     1 S   H    _H2_     4     1.02115    41.99338  -142.47190
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80840    98.55343  -178.18382
   34    33 S   HC   _H18    37     1.09387   109.18968   -39.09325
   35    33 S   HC   _H19    38     1.09451   109.26783    78.86701
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48638   110.11535  -160.01860
   40    39 S   CM   _C16    40     1.34056   130.01572   -89.60388
   41    40 S   OS   _O34    41     1.40131   114.36751   177.48409
   42    40 S   OH   _O35    82     1.36970   126.30579    -0.87760
   43    42 S   HO   _H20    83     0.96740   110.55323  -179.97202
   44    41 S   CT   _C9_    42     1.44138   101.82280    20.40004
   45    44 S   HC   _H5_    43     1.10289   105.66835    81.74867
   46    39 S   CT   _C8_    44     1.50141   122.74826    84.68826
   47    46 S   HC   _H4_    45     1.09807   103.88186   -82.08047
   48    44 S   CT   _C10    60     1.54665   114.19014  -161.75942
   49    48 S   HC   _H6_    61     1.10193   106.54909  -128.24427
   50    46 S   CT   _C7_    46     1.53149   118.63468    39.30822
   51    50 S   HC   _H3_    47     1.10916   109.82388    39.57390
   52    50 S   CT   _C6_    48     1.54124   114.87469   161.26675
   53    52 S   HC   _H11    49     1.09678   109.05599   -79.84632
   54    52 S   HC   _H12    50     1.09924   108.10009   166.25696
   55    50 S   OS   _O36    70     1.43087   109.12183   -76.89318
   56    52 S   CM   _C5_    51     1.52226   116.09323    42.66307
   57    55 S   CO4  _C19    71     1.36004   115.71334   148.55827
   58    57 S   O    _O37    72     1.22337   125.86812    -0.04423
   59    56 S   CT   _C11    52     1.52475   118.65310   -58.25465
   60    59 S   HC   _H7_    53     1.09861   107.42361    98.53066
   61    56 S   CM   _C4_    67     1.34392   119.65132   122.01506
   62    61 S   HC   _H9_    68     1.07972   120.28749  -179.95577
   63    61 S   HC   _H10    69     1.07888   120.29646     0.00000
   64    57 S   CM   _C20    73     1.49065   109.67913  -179.88131
   65    59 S   CT   _C12    54     1.54182   116.26648  -142.17949
   66    65 S   HC   _H13    55     1.09416   111.52895   -72.32267
   67    65 S   HC   _H14    56     1.09770   110.59732    48.93049
   68    64 S   CM   _C21    74     1.34173   116.93419   149.83814
   69    68 S   HC   _H21    75     1.08519   120.78588  -179.57664
   70    68 S   HC   _H22    76     1.08447   122.68860     0.47806
   71    64 S   CT   _C22    77     1.50055   120.93277   -29.11731
   72    71 S   HC   _H23    78     1.09523   111.61953   178.91881
   73    71 S   HC   _H24    79     1.09560   110.82152    58.84041
   74    65 S   CT   _C13    57     1.52925   103.50160   167.39472
   75    74 S   HC   _H8_    58     1.09471   111.89796  -157.88603
   76    71 S   OH   _O38    80     1.42126   109.44923   -61.57383
   77    76 S   HO   _H25    81     0.97069   106.77400  -179.97202
   78    74 S   CM   _C14    59     1.50392   103.11580   -35.84328
   79    74 S   OH   _O33    65     1.42112   110.08476    80.30096
   80    79 S   HO   _H17    66     0.97107   106.74515    67.64977
   81    78 S   CM   _C15    62     1.33841   123.61617  -158.36619
   82    81 S   HC   _H15    63     1.08277   120.51939    -6.40811
   83    81 S   HC   _H16    64     1.08156   120.54791   173.54387
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  13   5  17
   7  11   6  11   5   4   6  10   9   3  12   6   3   1   1   8
   8   5   4   6   2   1   4   3   2   7   4   1   1   5   2   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    52    48    55    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    59    78    48    49    42    43  
   43    44    46  
    0  
   45    46    47    50    51    52    56    59    60    65    74    78    48    49    81    55  
   46    47    50    59    78    48    49  
   47    50    51    52    53    54    56    59    78    48    49    55    57  
   50    51    52    48    55  
   49    81    82    83    79    61    50    52    56    59    60    65    66    67    74    75    78  
   81    56    59    60    65    74    78  
   51    52    53    54    56    59    61    55    57    58    64  
   52    53    54    56    55    57  
   53    54    56    59    60    65    61    62    63    55    57  
   54    56    59    61    55  
   56    59    61    55  
   57    58    64    68    71    56  
   59    60    65    66    67    74    78    61    62    63  
   58    64    68    69    70    71    72    73    76  
   64    68    71  
   60    65    66    67    74    75    78    81    79    61    62    63  
   65    66    67    74    78    61  
   62    63    65  
   63  
    0  
   68    69    70    71    72    73    76    77  
   66    67    74    75    78    81    79    80  
   67    74    75    78    79  
   74    75    78    79  
   69    70    71    72    73    76  
   70    71  
   71  
   72    73    76    77  
   73    76    77  
   76    77  
   75    78    81    82    83    79    80  
   78    81    79    80  
   77  
    0  
   81    82    83    79    80  
   80    81  
    0  
   82    83  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   317.000  1.510
   56    61   549.000  1.340
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    48   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    78   317.000  1.510
   74    79   320.000  1.410
   78    48   317.000  1.510
   78    81   549.000  1.340
   48    49   340.000  1.090
   81    82   340.000  1.080
   81    83   340.000  1.080
   79    80   553.000  0.945
   61    62   340.000  1.080
   61    63   340.000  1.080
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    64   320.000  1.462
   64    68   549.000  1.340
   64    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   320.000  1.410
   76    77   553.000  0.945
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    59    58.35000  112.70000
   44    48    78    70.00000  112.02700
   44    48    49    37.50000  110.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    55    57    83.00000  116.90000
   52    50    51    37.50000  110.70000
   52    56    59    65.00000  117.92700
   52    56    61    70.00000  124.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  109.50000
   56    59    65    70.00000  112.02700
   56    59    48    70.00000  112.02700
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    74    58.35000  112.70000
   59    48    78    70.00000  112.02700
   59    48    49    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    78    70.00000  112.02700
   65    74    79    50.00000  109.50000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    78    48    65.00000  117.92700
   74    78    81    70.00000  124.00000
   74    79    80    55.00000  108.50000
   78    74    75    35.00000  109.50000
   78    48    49    35.00000  109.50000
   78    81    82    35.00000  120.00000
   78    81    83    35.00000  120.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    59    60    37.50000  110.70000
   48    59    65    58.35000  112.70000
   81    78    48    70.00000  124.00000
   83    81    82    35.00000  117.00000
   79    74    75    35.00000  109.50000
   79    74    78    90.00000  110.39200
   61    56    59    70.00000  124.00000
   63    61    62    35.00000  117.00000
   55    50    51    35.00000  109.50000
   55    50    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    64    90.00000  111.29400
   57    64    68    65.00000  118.96000
   57    64    71    65.00000  116.34900
   64    57    58    80.00000  123.72100
   64    68    69    35.00000  120.00000
   64    68    70    35.00000  120.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    76    90.00000  110.39200
   70    68    69    35.00000  117.00000
   71    64    68    70.00000  124.00000
   71    76    77    55.00000  108.50000
   73    71    72    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.34400  1.0 1.0
   39    46    50    52   0.09450 -1.0 2.0
   39    46    50    52   0.11100  1.0 3.0
   39    46    50    55   0.61850  1.0 1.0
   39    46    50    55  -0.22750 -1.0 2.0
   39    46    50    55   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    59   0.62750  1.0 1.0
   41    44    48    59  -0.30950 -1.0 2.0
   41    44    48    59   0.27300  1.0 3.0
   41    44    48    78   0.61850  1.0 1.0
   41    44    48    78  -0.22750 -1.0 2.0
   41    44    48    78   0.15300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.56750  1.0 1.0
   44    46    50    52  -0.07550 -1.0 2.0
   44    46    50    52   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    59   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    59   0.56750  1.0 1.0
   46    44    48    59  -0.07550 -1.0 2.0
   46    44    48    59   0.20000  1.0 3.0
   46    44    48    78   0.34400  1.0 1.0
   46    44    48    78   0.09450 -1.0 2.0
   46    44    48    78   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    52    53   0.15000  1.0 3.0
   46    50    52    54   0.15000  1.0 3.0
   46    50    52    56   0.34400  1.0 1.0
   46    50    52    56   0.09450 -1.0 2.0
   46    50    52    56   0.11100  1.0 3.0
   46    50    55    57  -0.25900  1.0 1.0
   46    50    55    57  -0.47000 -1.0 2.0
   46    50    55    57   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    55   0.23400  1.0 3.0
   50    52    56    59   0.46850  1.0 1.0
   50    52    56    59   0.08550 -1.0 2.0
   50    52    56    59   0.09800  1.0 3.0
   50    52    56    61   0.09850  1.0 1.0
   50    52    56    61   0.15250 -1.0 2.0
   50    52    56    61  -0.50650  1.0 3.0
   50    55    57    58   3.00000 -1.0 2.0
   50    55    57    64   2.00000 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    55    57   0.08050  1.0 3.0
   52    50    55    57  -0.25900  1.0 1.0
   52    50    55    57  -0.47000 -1.0 2.0
   52    50    55    57   0.11750  1.0 3.0
   52    56    59    60   0.34800  1.0 3.0
   52    56    59    65   0.46850  1.0 1.0
   52    56    59    65   0.08550 -1.0 2.0
   52    56    59    65   0.09800  1.0 3.0
   52    56    59    48   0.46850  1.0 1.0
   52    56    59    48   0.08550 -1.0 2.0
   52    56    59    48   0.09800  1.0 3.0
   52    56    61    62   7.00000 -1.0 2.0
   52    56    61    63   7.00000 -1.0 2.0
   53    52    56    59   0.34800  1.0 3.0
   53    52    56    61   0.00000  1.0 1.0
   54    52    56    59   0.34800  1.0 3.0
   54    52    56    61   0.00000  1.0 1.0
   56    59    65    66   0.15000  1.0 3.0
   56    59    65    67   0.15000  1.0 3.0
   56    59    65    74   0.34400  1.0 1.0
   56    59    65    74   0.09450 -1.0 2.0
   56    59    65    74   0.11100  1.0 3.0
   56    59    48    44   0.34400  1.0 1.0
   56    59    48    44   0.09450 -1.0 2.0
   56    59    48    44   0.11100  1.0 3.0
   56    59    48    78   0.31000  1.0 1.0
   56    59    48    78   0.14700 -1.0 2.0
   56    59    48    78   0.07550  1.0 3.0
   56    59    48    49   0.15000  1.0 3.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   59    65    74    75   0.15000  1.0 3.0
   59    65   -74    78   0.34400  1.0 1.0
   59    65   -74    78   0.09450 -1.0 2.0
   59    65   -74    78   0.11100  1.0 3.0
   59    65    74    79   0.86500  1.0 1.0
   59    65    74    79  -0.17500 -1.0 2.0
   59    65    74    79   0.20800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    74   0.15000  1.0 3.0
   60    59    48    44   0.15000  1.0 3.0
   60    59    48    78   0.15000  1.0 3.0
   60    59    48    49   0.15000  1.0 3.0
   65    59    48    44   0.56750  1.0 1.0
   65    59    48    44  -0.07550 -1.0 2.0
   65    59    48    44   0.20000  1.0 3.0
   65    59   -48    78   0.34400  1.0 1.0
   65    59   -48    78   0.09450 -1.0 2.0
   65    59   -48    78   0.11100  1.0 3.0
   65    59    48    49   0.15000  1.0 3.0
   65    74   -78    48   0.46850  1.0 1.0
   65    74   -78    48   0.08550 -1.0 2.0
   65    74   -78    48   0.09800  1.0 3.0
   65    74    78    81   0.09850  1.0 1.0
   65    74    78    81   0.15250 -1.0 2.0
   65    74    78    81  -0.50650  1.0 3.0
   65    74    79    80  -0.11600  1.0 1.0
   65    74    79    80  -0.09450 -1.0 2.0
   65    74    79    80   0.21250  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    78   0.15000  1.0 3.0
   66    65    74    79   0.23400  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    78   0.15000  1.0 3.0
   67    65    74    79   0.23400  1.0 3.0
   74    78    48    44   0.46850  1.0 1.0
   74    78    48    44   0.08550 -1.0 2.0
   74    78    48    44   0.09800  1.0 3.0
   74    78   -48    59   0.46850  1.0 1.0
   74    78   -48    59   0.08550 -1.0 2.0
   74    78   -48    59   0.09800  1.0 3.0
   74    78    48    49   0.34800  1.0 3.0
   74    78    81    82   7.00000 -1.0 2.0
   74    78    81    83   7.00000 -1.0 2.0
   75    74    78    48   0.34800  1.0 3.0
   75    74    78    81   0.00000  1.0 1.0
   75    74    79    80   0.19450  1.0 3.0
   78    74    79    80  -0.07800  1.0 1.0
   78    74    79    80  -0.21500 -1.0 2.0
   78    74    79    80  -0.03150  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    59    65    66   0.15000  1.0 3.0
   48    59    65    67   0.15000  1.0 3.0
   48    59   -65    74   0.56750  1.0 1.0
   48    59   -65    74  -0.07550 -1.0 2.0
   48    59   -65    74   0.20000  1.0 3.0
   48    78    81    82   7.00000 -1.0 2.0
   48    78    81    83   7.00000 -1.0 2.0
   81    78    48    44   0.09850  1.0 1.0
   81    78    48    44   0.15250 -1.0 2.0
   81    78    48    44  -0.50650  1.0 3.0
   81    78    48    59   0.09850  1.0 1.0
   81    78    48    59   0.15250 -1.0 2.0
   81    78    48    59  -0.50650  1.0 3.0
   81    78    48    49   0.00000  1.0 1.0
   79    74    78    48   0.18000  1.0 1.0
   79    74    78    48   0.16450 -1.0 2.0
   79    74    78    48   0.04450  1.0 3.0
   79    74    78    81   0.67800  1.0 1.0
   79    74    78    81   0.47050 -1.0 2.0
   79    74    78    81  -0.62500  1.0 3.0
   61    56    59    60   0.00000  1.0 1.0
   61    56    59    65   0.09850  1.0 1.0
   61    56    59    65   0.15250 -1.0 2.0
   61    56    59    65  -0.50650  1.0 3.0
   61    56    59    48   0.09850  1.0 1.0
   61    56    59    48   0.15250 -1.0 2.0
   61    56    59    48  -0.50650  1.0 3.0
   55    50    52    53   0.23400  1.0 3.0
   55    50    52    54   0.23400  1.0 3.0
   55    50    52    56   0.61850  1.0 1.0
   55    50    52    56  -0.22750 -1.0 2.0
   55    50    52    56   0.15300  1.0 3.0
   55    57    64    68  -0.56150  1.0 1.0
   55    57    64    68   2.19150 -1.0 2.0
   55    57    64    71  -0.15000  1.0 1.0
   55    57    64    71   0.89550 -1.0 2.0
   55    57    64    71  -0.06900  1.0 3.0
   57    64    68    69   7.00000 -1.0 2.0
   57    64    68    70   7.00000 -1.0 2.0
   57    64    71    72   0.15000  1.0 3.0
   57    64    71    73   0.15000  1.0 3.0
   57    64    71    76   0.09700  1.0 1.0
   57    64    71    76   0.15600 -1.0 2.0
   57    64    71    76  -0.50800  1.0 3.0
   58    57    64    68   1.00000 -1.0 2.0
   58    57    64    71  -0.64400  1.0 1.0
   58    57    64    71   0.26850 -1.0 2.0
   64    71    76    77  -0.07800  1.0 1.0
   64    71    76    77  -0.21500 -1.0 2.0
   64    71    76    77  -0.03150  1.0 3.0
   68    64    71    72   0.00000  1.0 1.0
   68    64    71    73   0.00000  1.0 1.0
   68    64    71    76   0.67800  1.0 1.0
   68    64    71    76   0.47050 -1.0 2.0
   68    64    71    76  -0.62500  1.0 3.0
   71    64    68    69   7.00000 -1.0 2.0
   71    64    68    70   7.00000 -1.0 2.0
   72    71    76    77   0.19450  1.0 3.0
   73    71    76    77   0.19450  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    56    61   1.10000 -1.0 2.0
   74    48    78    81   1.10000 -1.0 2.0
   82    83    81    78   1.10000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
   55    64    57    58  10.50000 -1.0 2.0
   57    71    64    68  15.00000 -1.0 2.0
   69    70    68    64  15.00000 -1.0 2.0
END
