* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    147    223     434
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    48.52123    99.67206
    3     1 S   H    _H1_     3     1.02098    63.88590  -105.04822
    4     1 S   H    _H2_     4     1.02020   105.76002    -1.59839
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   CM   _C8_    36     1.73653    98.77653  -178.21798
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C9_    37     1.34581   119.61460   -90.02349
   38    37 S   HC   _H9_    38     1.08631   122.12003    -1.62883
   39    37 S   CM   _C4_    39     1.44342   121.56870   178.19225
   40    39 S   HC   _H7_    40     1.08418   117.95900   169.60040
   41    39 S   CM   _C5_    41     1.33994   121.19939   -13.41106
   42    41 S   HC   _H8_    42     1.08602   119.77226  -176.98773
   43    41 S   CT   _C6_    43     1.50462   121.83650     2.66822
   44    43 S   HC   _H3_    44     1.09682   108.70760   143.46855
   45    33 S   CT   _C7_    45     1.52055   119.27760    87.89366
   46    45 S   HC   _H4_    46     1.09726   109.57840   -35.34412
   47    43 S   OH   _O39    82     1.43027   107.06109  -102.26722
   48    47 S   HO   _H23    83     0.96834   106.24065  -179.94405
   49    45 S   S    _S1_    47     1.83907   108.29666    81.05757
   50    49 S   CT   _C10    48     1.80369    97.63008  -159.97661
   51    50 S   HC   _H10    49     1.09435   107.43568    60.03607
   52    50 S   HC   _H11    50     1.09538   107.45031   -55.45969
   53    50 S   CT1  _C11    51     1.53095   113.76379  -177.29977
   54    53 S   HC   _H5_    52     1.09681   108.69890   179.52936
   55    53 S   C    _C12    53     1.52734   113.36786   -60.92345
   56    55 S   O    _O33    54     1.22988   123.02079   119.80027
   57    53 S   N    _N5_    63     1.44129   112.38441    63.06404
   58    57 S   H    _H15    64     1.01790   117.70777   -91.49640
   59    55 S   N    _N4_    55     1.38794   112.21520   -59.02065
   60    59 S   H    _H12    56     1.01529   119.45812    -3.99228
   61    57 S   C    _C15    65     1.38914   123.44845    88.28255
   62    61 S   O    _O36    66     1.22789   125.14723     0.04423
   63    59 S   CT   _C13    57     1.44419   122.60714   178.85962
   64    63 S   HC   _H13    58     1.09391   110.37525   -59.87893
   65    63 S   HC   _H14    59     1.09358   110.40522    59.87736
   66    61 S   CT   _C16    67     1.52023   111.67086   179.74207
   67    66 S   HC   _H16    68     1.09606   107.98640   -62.00993
   68    66 S   HC   _H17    69     1.09618   107.51251  -178.24911
   69    63 S   CO3  _C14    60     1.51938   105.91154   179.97202
   70    69 S   O2Z  _O35    61     1.26408   115.20992    59.80760
   71    69 S   O2Z  _O34    62     1.26392   115.15479  -120.78196
   72    66 S   CT   _C17    70     1.53080   112.29218    60.01502
   73    72 S   HC   _H18    71     1.09840   108.91919   -59.98715
   74    72 S   HC   _H19    72     1.09810   109.22903  -174.76561
   75    72 S   CT   _C18    73     1.53473   114.41310    62.45425
   76    75 S   HC   _H6_    74     1.09673   108.11120   -60.62699
   77    75 S   CO3  _C19    75     1.53849   115.61550    57.73076
   78    77 S   O2Z  _O38    76     1.26450   115.15125    59.04990
   79    77 S   O2Z  _O37    77     1.26319   115.86770  -119.57029
   80    75 S   NP   _N6_    78     1.49691   107.47016  -173.35173
   81    80 S   H    _H20    79     1.02134   110.25069  -138.13431
   82    80 S   H    _H21    80     1.02101   110.23094   101.91443
   83    80 S   H    _H22    81     1.02053   110.30650   -18.16045
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1   9   4   7   3   8   4   7   5   8   3   2   1
   7  10   5   4  11   6  10   4   8   3   7   4   8   4   5   4
   3   9   5   4   2   1   1  11   5   4   8   7   6   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    45    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    46    49    50    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    45    46    49  
   39    40    41    45  
   40    41    42    43    44    45    47  
   41    42    43  
   42    43    44    45    46    49    47    48  
   43    44    45    47  
   44    45    46    49    50    47    48  
   45    46    49    47    48  
   46    49    50    51    52    53    47    48  
   49    50    47  
   48    49  
    0  
   50    51    52    53    54    55    57  
   51    52    53    54    55    56    59    57    58    61  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    59    60    63    57    58    61    62    66  
   55    56    59    57    58    61  
   56    59    60    63    64    65    69    57    58    61  
   59    60    63    57  
   58    61    62    66    67    68    72    59  
   61    62    66  
   60    63    64    65    69    70    71  
   63    64    65    69  
   62    66    67    68    72    73    74    75  
   66    67    68    72  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    73    74    75    76    77    80  
   68    72    73    74    75  
   72    73    74    75  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   50   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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   240.000  1.763
   33    37   549.000  1.340
   33    45   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   320.000  1.410
   45    46   340.000  1.090
   45    49   222.000  1.810
   49    50   222.000  1.810
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    57   337.000  1.449
   55    56   570.000  1.229
   55    59   490.000  1.335
   59    60   434.000  1.010
   59    63   337.000  1.449
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.522
   75    80   367.000  1.471
   77    78   656.000  1.250
   77    79   656.000  1.250
   80    81   434.000  1.010
   80    82   434.000  1.010
   80    83   434.000  1.010
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    45    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    45    43    70.00000  112.02700
   33    45    46    35.00000  109.50000
   33    45    49    75.00000  112.20000
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  123.01800
   39    37    38    35.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    43    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.02700
   41    43    47    90.00000  110.39200
   43    41    42    35.00000  117.00000
   43    45    46    37.50000  110.70000
   43    45    49    75.00000  111.63000
   43    47    48    55.00000  108.50000
   45    33    37    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    62.00000   98.90000
   49    45    46    35.00000  109.50000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    75.00000  108.68000
   50    53    54    37.50000  110.70000
   50    53    55    63.00000  111.10000
   50    53    57    80.00000  109.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    80.00000  120.40000
   53    55    59    70.00000  116.60000
   53    57    58    38.00000  118.40000
   53    57    61    50.00000  121.90000
   55    53    54    35.00000  109.50000
   55    59    60    35.00000  119.80000
   55    59    63    50.00000  121.90000
   59    55    56    80.00000  122.90000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    69    63.00000  110.10000
   63    59    60    38.00000  118.40000
   63    69    70    70.00000  117.00000
   63    69    71    70.00000  117.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   71    69    70    80.00000  126.00000
   57    53    54    35.00000  109.50000
   57    53    55    63.00000  110.10000
   57    61    62    80.00000  122.90000
   57    61    66    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    72    63.00000  111.10000
   66    61    62    80.00000  120.40000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  109.69300
   72    75    80    80.00000  111.20000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    70.00000  117.00000
   75    77    79    70.00000  117.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   77    75    76    35.00000  109.50000
   79    77    78    80.00000  126.00000
   80    75    76    35.00000  109.50000
   80    75    77    80.00000  109.26000
   82    80    81    35.00000  109.50000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    45   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    45    43   0.09700  1.0 1.0
   29    33    45    43   0.15600 -1.0 2.0
   29    33    45    43  -0.50800  1.0 3.0
   29    33    45    46   0.00000  1.0 1.0
   29    33    45    49   0.09700  1.0 1.0
   29    33    45    49   0.15600 -1.0 2.0
   29    33    45    49  -0.50800  1.0 3.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   33    45    49    50  -0.62250  1.0 1.0
   33    45    49    50  -0.38450 -1.0 2.0
   33    45    49    50   0.81900  1.0 3.0
   37    33    45    43   0.09850  1.0 1.0
   37    33    45    43   0.15250 -1.0 2.0
   37    33    45    43  -0.50650  1.0 3.0
   37    33    45    46   0.00000  1.0 1.0
   37    33    45    49   0.42700  1.0 1.0
   37    33    45    49  -0.70350 -1.0 2.0
   37    33    45    49  -0.43150  1.0 3.0
   37    39    41    42   7.00000 -1.0 2.0
   37    39   -41    43   7.00000 -1.0 2.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.09850  1.0 1.0
   39    41    43    45   0.15250 -1.0 2.0
   39    41    43    45  -0.50650  1.0 3.0
   39    41    43    47   0.67800  1.0 1.0
   39    41    43    47   0.47050 -1.0 2.0
   39    41    43    47  -0.62500  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43   -45    33   0.31000  1.0 1.0
   41    43   -45    33   0.14700 -1.0 2.0
   41    43   -45    33   0.07550  1.0 3.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    49   0.56750  1.0 1.0
   41    43    45    49  -0.07550 -1.0 2.0
   41    43    45    49   0.20000  1.0 3.0
   41    43    47    48  -0.07800  1.0 1.0
   41    43    47    48  -0.21500 -1.0 2.0
   41    43    47    48  -0.03150  1.0 3.0
   42    41    43    44   0.33100  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   43    45    49    50   0.01700  1.0 1.0
   43    45    49    50  -0.23550 -1.0 2.0
   43    45    49    50   0.21350  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    33    37    38   7.00000 -1.0 2.0
   45    33   -37    39   7.00000 -1.0 2.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    49    50    51   0.32350  1.0 3.0
   45    49    50    52   0.32350  1.0 3.0
   45    49    50    53   0.01700  1.0 1.0
   45    49    50    53  -0.23550 -1.0 2.0
   45    49    50    53   0.21350  1.0 3.0
   46    45    49    50   0.32350  1.0 3.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55  -2.17200  1.0 1.0
   49    50    53    55  -0.85700 -1.0 2.0
   49    50    53    57   0.71400  1.0 1.0
   49    50    53    57   0.04300 -1.0 2.0
   49    50    53    57   0.01450  1.0 3.0
   50    53    55    56   0.00000  1.0 1.0
   50    53    55    59   0.93250  1.0 1.0
   50    53    55    59   0.04450 -1.0 2.0
   50    53    55    59   0.17550  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    61   0.25950  1.0 1.0
   50    53    57    61   0.43850 -1.0 2.0
   50    53    57    61   2.61650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55  -0.03800  1.0 3.0
   51    50    53    57   0.23200  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55  -0.03800  1.0 3.0
   52    50    53    57   0.23200  1.0 3.0
   53    55    59    60   2.45000 -1.0 2.0
   53    55    59    63   1.15000  1.0 1.0
   53    55    59    63   3.04450 -1.0 2.0
   53    57    61    62   3.04450 -1.0 2.0
   53    57    61    66   1.15000  1.0 1.0
   53    57    61    66   3.04450 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    59   0.00000  1.0 1.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   55    53    57    58   0.00000  1.0 1.0
   55    53    57    61  -0.29800  1.0 1.0
   55    53    57    61   0.13950 -1.0 2.0
   55    53    57    61  -2.45650  1.0 3.0
   55    59    63    64   0.00000  1.0 1.0
   55    59    63    65   0.00000  1.0 1.0
   55    59    63    69  -0.29800  1.0 1.0
   55    59    63    69   0.13950 -1.0 2.0
   55    59    63    69  -2.45650  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    63   3.04450 -1.0 2.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    71   0.00000  1.0 1.0
   57    53    55    56   0.00000  1.0 1.0
   57    53    55    59   0.37150  1.0 1.0
   57    53    55    59   1.25400 -1.0 2.0
   57    53    55    59  -0.40250  1.0 3.0
   57    61    66    67   0.00000  1.0 1.0
   57    61    66    68   0.00000  1.0 1.0
   57    61    66    72   1.39750  1.0 1.0
   57    61    66    72  -0.07950 -1.0 2.0
   57    61    66    72  -0.18750  1.0 3.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    66   2.45000 -1.0 2.0
   61    66    72    73  -0.11250  1.0 3.0
   61    66    72    74  -0.11250  1.0 3.0
   61    66    72    75  -0.95700  1.0 1.0
   61    66    72    75  -0.18200 -1.0 2.0
   61    66    72    75   0.29450  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    72   0.30150 -1.0 2.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77  -1.63150  1.0 1.0
   66    72    75    77  -0.43550 -1.0 2.0
   66    72    75    77   0.24500  1.0 3.0
   66    72    75    80   1.36600  1.0 1.0
   66    72    75    80  -0.11450 -1.0 2.0
   66    72    75    80   0.24250  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    77    78   0.41150 -1.0 2.0
   72    75    77    79   0.41150 -1.0 2.0
   72    75    80    81   0.17350  1.0 3.0
   72    75    80    82   0.17350  1.0 3.0
   72    75    80    83   0.17350  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77  -0.11250  1.0 3.0
   73    72    75    80   0.19200  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77  -0.11250  1.0 3.0
   74    72    75    80   0.19200  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    83   0.13050  1.0 3.0
   77    75    80    81   0.17350  1.0 3.0
   77    75    80    82   0.17350  1.0 3.0
   77    75    80    83   0.17350  1.0 3.0
   80    75    77    78   0.30150 -1.0 2.0
   80    75    77    79   0.30150 -1.0 2.0
   47    43    45    33   1.05650  1.0 1.0
   47    43    45    33   0.15600 -1.0 2.0
   47    43    45    33   0.53150  1.0 3.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  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
   29    45    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   43    42    41    39   1.10000 -1.0 2.0
   53    59    55    56  10.50000 -1.0 2.0
   60    55    59    63   1.00000 -1.0 2.0
   70    63    69    71  10.50000 -1.0 2.0
   58    61    57    53   1.00000 -1.0 2.0
   57    66    61    62  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
