* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    153    243     446
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    97.99322   -54.04430
    3     1 S   H    _H1_     3     1.02143    81.05647    53.74742
    4     1 S   H    _H2_     4     1.02065    35.50856  -165.16659
    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   _C19    36     1.80803    98.58951  -178.15963
   34    33 S   HC   _H20    37     1.09413   109.21171   -59.18458
   35    33 S   HC   _H21    38     1.09368   109.38238    58.91711
   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     1.48575   110.06610  -180.00000
   40    39 S   CM   _C18    40     1.33474   128.26521  -119.64017
   41    40 S   OS   _O36    41     1.39226   115.25487   177.02356
   42    40 S   OH   _O37    78     1.36789   124.37020    -0.98655
   43    42 S   HO   _H19    79     0.96625   110.51700   180.00000
   44    41 S   CT   _C11    42     1.44641   102.52692    15.41526
   45    44 S   HC   _H5_    43     1.09973   105.63319    92.57312
   46    44 S   CT   _C10    44     1.52270   109.47741  -150.75572
   47    46 S   HC   _H12    45     1.09780   108.78887   -85.20027
   48    46 S   HC   _H13    46     1.09875   108.94090    28.08023
   49    39 S   CT   _C12    64     1.49680   123.29081    55.22112
   50    49 S   HC   _H6_    65     1.09732   107.49150   -75.09648
   51    46 S   C3T  _C9_    47     1.50435   114.99842   151.80892
   52    51 S   C3T  _C20    48     1.51950   117.94767  -112.90179
   53    52 S   HC   _H22    49     1.08259   118.97812     7.93924
   54    52 S   HC   _H23    50     1.08325   119.21386   155.37117
   55    51 S   CT   _C8_    52     1.50893   121.26853    47.88732
   56    55 S   HC   _H4_    53     1.10416   106.00863   163.47842
   57    51 S   O3T  _O38    51     1.44406   111.31954  -176.54215
   58    55 S   CT   _C7_    54     1.52529   115.82074    45.65003
   59    58 S   HC   _H10    55     1.09574   111.64426    69.02610
   60    58 S   HC   _H11    56     1.09466   113.07117   -51.03081
   61    58 S   CT   _C6_    57     1.53074   103.44412  -171.21432
   62    61 S   HC   _H3_    58     1.09560   110.93024   -92.95682
   63    61 S   CM   _C15    59     1.51151   104.20041    25.86727
   64    61 S   OS   _O34    71     1.41673   110.47713   145.20803
   65    55 S   CT   _C14    60     1.54146   116.83779   -77.56527
   66    63 S   CM   _C16    68     1.34006   123.74321  -177.98695
   67    66 S   HC   _H16    69     1.08099   120.53183  -180.00000
   68    66 S   HC   _H17    70     1.08112   120.52285     0.03426
   69    64 S   CO4  _C5_    72     1.36972   115.99719    92.65100
   70    69 S   O    _O33    73     1.22306   125.87662    -0.07913
   71    65 S   CT   _C13    61     1.54349   119.62521    49.96917
   72    71 S   HC   _H14    62     1.09831   107.61445  -166.76521
   73    71 S   HC   _H15    63     1.09916   110.57337    78.31566
   74    65 S   OH   _O35    66     1.42660   109.11351   -76.39279
   75    74 S   HO   _H18    67     0.96974   106.49850   -48.83425
   76    69 S   CT   _C4_    74     1.49848   110.07218   179.95154
   77    76 S   HC   _H7_    75     1.09300   109.86412   -90.03318
   78    76 S   HC   _H8_    76     1.09372   109.86103   148.07562
   79    76 S   HC   _H9_    77     1.09448   109.38908    29.09837
  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  14   7  14   6   5
   9   4  14   7   3   2  16   9   2  11   6   5  12   5  11   8
   8   4   1   1   5   4   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    71    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    65    71    72    73    49    50    42    43  
   41    44    45    46    71    49    50    42    43  
   44    45    46    47    48    51    71    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    57    55    65    71    72    73    49    50  
   46    47    48    51    71    49    50  
   47    48    51    52    53    54    57    55    56    58    65    71    49    50  
   48    51    52    57    55    49  
   51    52    57    55    49  
   50    74    51    55    63    65    71    72    73  
   65    71    72    73  
   52    53    54    57    55    56    58    59    60    61    63    65    71    74  
   53    54    57    55    56    58    65  
   54    57    55  
   57    55  
   56    58    59    60    61    62    63    65    71    72    73    74    75    66    64    57  
   58    59    60    61    63    65    71    74    57  
   58    65  
   59    60    61    62    63    65    71    74    66    64    69  
   60    61    62    63    65    64  
   61    62    63    65    64  
   62    63    65    71    74    66    67    68    64    69    70    76  
   63    65    66    64    69  
   65    71    72    73    74    75    66    67    68    64    69  
   69    70    76    77    78    79    65    66  
   71    72    73    74    75    66    67    68  
   67    68    71    74  
   68  
    0  
   70    76    77    78    79  
   76    77    78    79  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.056200   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    49   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    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   260.000  1.509
   51    57   335.000  1.432
   51    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    57   335.000  1.432
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    65   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   317.000  1.510
   63    66   549.000  1.340
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   74    75   553.000  0.945
   66    67   340.000  1.080
   66    68   340.000  1.080
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   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    49    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    49    44    70.00000  112.02700
   39    49    71    70.00000  112.02700
   39    49    50    35.00000  109.50000
   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    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.37300
   44    49    71    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    60.00000  120.94000
   46    51    57    80.00000  116.47100
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    54    37.50000  117.20000
   51    52    57    15.00000   60.43100
   51    57    52    15.00000   59.14900
   51    55    56    45.00000  109.38400
   51    55    58    70.00000  112.37300
   51    55    65    70.00000  112.37300
   54    52    53    35.00000  114.30000
   57    51    52    15.00000   60.43100
   57    52    53    50.00000  114.27700
   57    52    54    50.00000  114.27700
   55    51    52    60.00000  120.94000
   55    51    57    80.00000  116.47100
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   55    65    63    70.00000  112.02700
   55    65    71    58.35000  112.70000
   55    65    74    50.00000  109.50000
   58    55    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    65    65.00000  117.92700
   61    63    66    70.00000  124.00000
   61    64    69    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    71    70.00000  112.02700
   63    65    74    90.00000  110.39200
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   65    55    56    37.50000  110.70000
   65    55    58    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    49    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    49    50    37.50000  110.70000
   73    71    72    33.00000  107.80000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    73    37.50000  110.70000
   74    65    71    50.00000  109.50000
   66    63    65    70.00000  124.00000
   68    66    67    35.00000  117.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  110.90400
   64    69    70    83.00000  123.40000
   64    69    76    81.00000  111.40000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   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    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   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    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    71   0.46850  1.0 1.0
   33    39    49    71   0.08550 -1.0 2.0
   33    39    49    71   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   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
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    71   0.09850  1.0 1.0
   40    39    49    71   0.15250 -1.0 2.0
   40    39    49    71  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   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    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51  -0.26800  1.0 1.0
   41    44    46    51   0.69150 -1.0 2.0
   41    44    46    51  -0.48750  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    71   0.62750  1.0 1.0
   41    44    49    71  -0.30950 -1.0 2.0
   41    44    49    71   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.07850  1.0 1.0
   44    46    51    52  -0.03950 -1.0 2.0
   44    46    51    52   0.67350  1.0 3.0
   44    46    51    57   0.02550  1.0 1.0
   44    46    51    57  -0.02600 -1.0 2.0
   44    46    51    57   1.20400  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    71   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    71   0.56750  1.0 1.0
   46    44    49    71  -0.07550 -1.0 2.0
   46    44    49    71   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    54   0.15000  1.0 3.0
   46    51   -52    57   0.02550  1.0 1.0
   46    51   -52    57  -0.02600 -1.0 2.0
   46    51   -52    57   1.20400  1.0 3.0
   46    51   -57    52   0.06250  1.0 1.0
   46    51   -57    52  -0.01100 -1.0 2.0
   46    51   -57    52   0.28050  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    58   0.56750  1.0 1.0
   46    51    55    58  -0.07550 -1.0 2.0
   46    51    55    58   0.20000  1.0 3.0
   46    51    55    65   0.56750  1.0 1.0
   46    51    55    65  -0.07550 -1.0 2.0
   46    51    55    65   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    55    58    59   0.15000  1.0 3.0
   51    55    58    60   0.15000  1.0 3.0
   51    55    58    61   0.47050  1.0 1.0
   51    55    58    61   0.03900 -1.0 2.0
   51    55    58    61   0.20100  1.0 3.0
   51    55    65    63   0.34400  1.0 1.0
   51    55    65    63   0.09450 -1.0 2.0
   51    55    65    63   0.11100  1.0 3.0
   51    55    65    71   0.47050  1.0 1.0
   51    55    65    71   0.03900 -1.0 2.0
   51    55    65    71   0.20100  1.0 3.0
   51    55    65    74   0.86500  1.0 1.0
   51    55    65    74  -0.17500 -1.0 2.0
   51    55    65    74   0.20800  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.07850  1.0 1.0
   52    51    55    58  -0.03950 -1.0 2.0
   52    51    55    58   0.67350  1.0 3.0
   52    51    55    65   0.07850  1.0 1.0
   52    51    55    65  -0.03950 -1.0 2.0
   52    51    55    65   0.67350  1.0 3.0
   53    52   -57    51   0.36800  1.0 3.0
   54    52   -57    51   0.36800  1.0 3.0
   57    51   -52    53   0.23400  1.0 3.0
   57    51   -52    54   0.23400  1.0 3.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    58   0.02550  1.0 1.0
   57    51    55    58  -0.02600 -1.0 2.0
   57    51    55    58   1.20400  1.0 3.0
   57    51    55    65   0.02550  1.0 1.0
   57    51    55    65  -0.02600 -1.0 2.0
   57    51    55    65   1.20400  1.0 3.0
   55    51    52    53   0.15000  1.0 3.0
   55    51    52    54   0.15000  1.0 3.0
   55    51   -52    57   0.02550  1.0 1.0
   55    51   -52    57  -0.02600 -1.0 2.0
   55    51   -52    57   1.20400  1.0 3.0
   55    51   -57    52   0.06250  1.0 1.0
   55    51   -57    52  -0.01100 -1.0 2.0
   55    51   -57    52   0.28050  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.34400  1.0 1.0
   55    58   -61    63   0.09450 -1.0 2.0
   55    58   -61    63   0.11100  1.0 3.0
   55    58    61    64   0.62750  1.0 1.0
   55    58    61    64  -0.30950 -1.0 2.0
   55    58    61    64   0.27300  1.0 3.0
   55    65    71    72   0.15000  1.0 3.0
   55    65    71    73   0.15000  1.0 3.0
   55    65    71    49   0.56750  1.0 1.0
   55    65    71    49  -0.07550 -1.0 2.0
   55    65    71    49   0.20000  1.0 3.0
   55    65    74    75  -0.11600  1.0 1.0
   55    65    74    75  -0.09450 -1.0 2.0
   55    65    74    75   0.21250  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    65    63   0.15000  1.0 3.0
   56    55    65    71   0.15000  1.0 3.0
   56    55    65    74   0.23400  1.0 3.0
   58    55   -65    63   0.34400  1.0 1.0
   58    55   -65    63   0.09450 -1.0 2.0
   58    55   -65    63   0.11100  1.0 3.0
   58    55    65    71   0.56750  1.0 1.0
   58    55    65    71  -0.07550 -1.0 2.0
   58    55    65    71   0.20000  1.0 3.0
   58    55    65    74   0.86500  1.0 1.0
   58    55    65    74  -0.17500 -1.0 2.0
   58    55    65    74   0.20800  1.0 3.0
   58    61   -63    65   0.46850  1.0 1.0
   58    61   -63    65   0.08550 -1.0 2.0
   58    61   -63    65   0.09800  1.0 3.0
   58    61    63    66   0.09850  1.0 1.0
   58    61    63    66   0.15250 -1.0 2.0
   58    61    63    66  -0.50650  1.0 3.0
   58    61    64    69  -0.25900  1.0 1.0
   58    61    64    69  -0.47000 -1.0 2.0
   58    61    64    69   0.11750  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    63   -65    55   0.46850  1.0 1.0
   61    63   -65    55   0.08550 -1.0 2.0
   61    63   -65    55   0.09800  1.0 3.0
   61    63    65    71   0.46850  1.0 1.0
   61    63    65    71   0.08550 -1.0 2.0
   61    63    65    71   0.09800  1.0 3.0
   61    63    65    74   0.18000  1.0 1.0
   61    63    65    74   0.16450 -1.0 2.0
   61    63    65    74   0.04450  1.0 3.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   61    64    69    70   3.00000 -1.0 2.0
   61    64    69    76   1.63150  1.0 1.0
   61    64    69    76   2.92000 -1.0 2.0
   62    61    63    65   0.34800  1.0 3.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    64    69   0.08050  1.0 3.0
   63    61    64    69  -0.82050  1.0 1.0
   63    61    64    69   0.00600 -1.0 2.0
   63    61    64    69   0.04400  1.0 3.0
   63    65    71    72   0.15000  1.0 3.0
   63    65    71    73   0.15000  1.0 3.0
   63    65    71    49   0.34400  1.0 1.0
   63    65    71    49   0.09450 -1.0 2.0
   63    65    71    49   0.11100  1.0 3.0
   63    65    74    75  -0.07800  1.0 1.0
   63    65    74    75  -0.21500 -1.0 2.0
   63    65    74    75  -0.03150  1.0 3.0
   65    55    58    59   0.15000  1.0 3.0
   65    55    58    60   0.15000  1.0 3.0
   65    55   -58    61   0.56750  1.0 1.0
   65    55   -58    61  -0.07550 -1.0 2.0
   65    55   -58    61   0.20000  1.0 3.0
   65    63    66    67   7.00000 -1.0 2.0
   65    63    66    68   7.00000 -1.0 2.0
   65    71    49    39   0.34400  1.0 1.0
   65    71    49    39   0.09450 -1.0 2.0
   65    71    49    39   0.11100  1.0 3.0
   65    71    49    44   0.56750  1.0 1.0
   65    71    49    44  -0.07550 -1.0 2.0
   65    71    49    44   0.20000  1.0 3.0
   65    71    49    50   0.15000  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   72    71    49    39   0.15000  1.0 3.0
   72    71    49    44   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   73    71    49    39   0.15000  1.0 3.0
   73    71    49    44   0.15000  1.0 3.0
   73    71    49    50   0.15000  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.47050  1.0 1.0
   49    44    46    51   0.03900 -1.0 2.0
   49    44    46    51   0.20100  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    49   0.86500  1.0 1.0
   74    65    71    49  -0.17500 -1.0 2.0
   74    65    71    49   0.20800  1.0 3.0
   66    63    65    55   0.09850  1.0 1.0
   66    63    65    55   0.15250 -1.0 2.0
   66    63    65    55  -0.50650  1.0 3.0
   66    63    65    71   0.09850  1.0 1.0
   66    63    65    71   0.15250 -1.0 2.0
   66    63    65    71  -0.50650  1.0 3.0
   66    63    65    74   0.67800  1.0 1.0
   66    63    65    74   0.47050 -1.0 2.0
   66    63    65    74  -0.62500  1.0 3.0
   64    61    63    65   0.09700  1.0 1.0
   64    61    63    65   0.15600 -1.0 2.0
   64    61    63    65  -0.50800  1.0 3.0
   64    61    63    66   0.39000  1.0 1.0
   64    61    63    66  -0.05800 -1.0 2.0
   64    61    63    66  -0.55150  1.0 3.0
   64    69    76    77   0.00000  1.0 1.0
   64    69    76    78   0.00000  1.0 1.0
   64    69    76    79   0.00000  1.0 1.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
   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    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   61    65    63    66   1.10000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
   64    76    69    70  10.50000 -1.0 2.0
END
