* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    170    255     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02019    93.94558    33.60029
    3     1 S   H    _H1_     3     1.02112    33.41205   152.17461
    4     1 S   H    _H2_     4     1.02061    86.29366   -74.93259
    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   CT   _C13    36     1.84865    98.12676   161.76102
   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   CT   _C9_    37     1.55202   114.03972  -180.00000
   38    37 S   HC   _H15    38     1.09802   109.27854  -163.18906
   39    33 S   CT   _C14    87     1.53304   106.48692    57.08220
   40    39 S   HC   _H18    88     1.08715   109.60460   -55.27158
   41    39 S   HC   _H19    89     1.08809   109.54951  -175.23408
   42    39 S   HC   _H20    90     1.08739   109.57593    64.80761
   43    37 S   CO4  _C10    39     1.51841   101.96999    84.99447
   44    43 S   O    _O33    40     1.22551   124.35344  -164.26453
   45    37 S   CT   _C8_    73     1.52054   117.58339   -38.72351
   46    45 S   HC   _H13    74     1.09525   109.19386    78.12482
   47    45 S   HC   _H14    75     1.09587   109.38088   -38.59363
   48    43 S   CT   _C11    41     1.51073   112.34687    16.32175
   49    48 S   HC   _H16    42     1.09302   110.09096   127.40531
   50    48 S   HC   _H17    43     1.09381   108.33749  -110.86619
   51    45 S   CM   _C7_    76     1.49973   111.40509  -158.76740
   52    51 S   HC   _H12    77     1.08781   116.80378    58.50738
   53    33 S   CT   _C12    44     1.54666   108.93798   -65.64215
   54    53 S   HC   _H3_    45     1.09668   113.95901    40.11221
   55    51 S   CM   _C6_    78     1.34104   123.77513  -122.00452
   56    55 S   HC   _H11    79     1.08786   119.42839   179.46405
   57    53 S   OS   _O34    46     1.42807   111.45249   161.28889
   58    55 S   CT   _C5_    80     1.49944   123.80849    -0.00000
   59    58 S   HC   _H9_    81     1.09633   111.06372    31.93656
   60    58 S   HC   _H10    82     1.09565   108.75241   149.38794
   61    57 S   CO4  _C15    47     1.36555   115.53521  -155.11555
   62    61 S   O    _O35    48     1.22304   126.27642    -0.04846
   63    58 S   CT   _C4_    83     1.52129   111.40139   -89.97099
   64    63 S   HC   _H6_    84     1.09477   111.11363   -56.93936
   65    63 S   HC   _H7_    85     1.09496   110.16309    62.71823
   66    63 S   HC   _H8_    86     1.09473   111.26035  -177.57852
   67    61 S   C3T  _C16    49     1.49899   109.62588   179.93744
   68    67 S   HC   _H4_    50     1.08593   113.28899   -59.95234
   69    67 S   C3T  _C17    51     1.50037   118.70131   155.87500
   70    69 S   HC   _H5_    52     1.08535   117.37634    -3.14573
   71    67 S   C3T  _C18    53     1.50065   120.41299    85.68792
   72    69 S   CM   _C21    62     1.45423   118.58412   138.91293
   73    72 S   HC   _H27    63     1.08822   114.42840   -23.51845
   74    71 S   CT   _C19    54     1.49159   119.11458  -145.71217
   75    74 S   HC   _H21    55     1.10107   111.51934   110.89862
   76    74 S   HC   _H22    56     1.10151   111.57499    -9.09626
   77    74 S   HC   _H23    57     1.10124   111.57619  -129.10420
   78    71 S   CT   _C20    58     1.49261   117.39879    -2.59042
   79    78 S   HC   _H24    59     1.10125   111.46986  -110.67152
   80    78 S   HC   _H25    60     1.10106   111.47508   129.39049
   81    78 S   HC   _H26    61     1.10019   111.53326     9.35534
   82    72 S   CM   _C22    64     1.34666   127.72298   156.47859
   83    82 S   CT   _C23    65     1.50437   121.16496  -179.97202
   84    83 S   HC   _H28    66     1.09494   110.24771    89.98325
   85    83 S   HC   _H29    67     1.09489   110.23121  -150.17264
   86    83 S   HC   _H30    68     1.09474   112.29959   -30.14515
   87    82 S   CT   _C24    69     1.50231   123.81009     0.02798
   88    87 S   HC   _H31    70     1.09466   110.17092    89.94689
   89    87 S   HC   _H32    71     1.09526   110.14147  -150.42812
   90    87 S   HC   _H33    72     1.09459   112.95653   -30.27511
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   7   3   5   2   8   4   6   6   5   4   9   4   3   2
   1   1  15   6  15   6  11  12   3   7   3   2   1   3   2   1
   1   8   7   3   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    61    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    61  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    60    63  
   55    56    58  
   54    57    61    62    67  
   57    61  
   56    58    59    60    63    64    65    66  
   58    59    60    63  
   61    62    67    68    69    71  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    69    70    71    74    78    72  
   67    68    69    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    74    75    76    77    78    79    80    81    72    73    82  
   69    70    71    74    78    72  
   70    71    74    75    76    77    78    79    80    81    72    73    82    83    87  
   71    74    78    72    73    82  
   74    75    76    77    78    79    80    81    72    73    82  
   73    82    83    84    85    86    87    88    89    90    74    78  
   82    83    87  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    61   214.000  1.327
   61    62   570.000  1.229
   61    67   290.000  1.496
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    71   260.000  1.509
   69    70   340.000  1.088
   69    71   260.000  1.509
   69    72   305.000  1.480
   71    74   275.000  1.510
   71    78   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    73   340.000  1.080
   72    82   549.000  1.340
   82    83   317.000  1.510
   82    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    61    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    61    62    83.00000  123.40000
   57    61    67    81.00000  111.40000
   61    67    68    40.00000  116.18000
   61    67    69    65.00000  117.18000
   61    67    71    65.00000  117.18000
   67    61    62    75.00000  121.36600
   67    69    70    37.50000  117.20000
   67    69    71    10.00000   60.00500
   67    69    72    60.00000  120.58800
   67    71    69    10.00000   60.00500
   67    71    74    60.00000  120.94000
   67    71    78    60.00000  120.94000
   69    67    68    37.50000  117.20000
   69    71    74    60.00000  120.94000
   69    71    78    60.00000  120.94000
   69    72    73    40.00000  117.24000
   69    72    82    55.00000  125.06700
   71    67    68    37.50000  117.20000
   71    67    69    10.00000   60.00500
   71    69    70    37.50000  117.20000
   71    74    75    45.00000  109.38400
   71    74    76    45.00000  109.38400
   71    74    77    45.00000  109.38400
   71    78    79    45.00000  109.38400
   71    78    80    45.00000  109.38400
   71    78    81    45.00000  109.38400
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    69    70    40.00000  112.45000
   72    69    71    60.00000  120.58800
   72    82    83    70.00000  124.00000
   72    82    87    70.00000  124.00000
   82    72    73    35.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.02700
   58    55    56    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    61  -0.25900  1.0 1.0
   33    53    57    61  -0.47000 -1.0 2.0
   33    53    57    61   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    61  -0.25900  1.0 1.0
   48    53    57    61  -0.47000 -1.0 2.0
   48    53    57    61   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    61    62   3.00000 -1.0 2.0
   53    57    61    67   1.63150  1.0 1.0
   53    57    61    67   2.92000 -1.0 2.0
   54    53    57    61   0.08050  1.0 3.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.36750  1.0 3.0
   57    61    67    71   0.36750  1.0 3.0
   61    67    69    70   0.15000  1.0 3.0
   61    67   -69    71  -0.95700  1.0 1.0
   61    67   -69    71  -0.18200 -1.0 2.0
   61    67   -69    71   0.29450  1.0 3.0
   61    67    69    72  -0.98800  1.0 1.0
   61    67    69    72   0.48800 -1.0 2.0
   61    67    69    72   0.76800  1.0 3.0
   61    67   -71    69  -0.95700  1.0 1.0
   61    67   -71    69  -0.18200 -1.0 2.0
   61    67   -71    69   0.29450  1.0 3.0
   61    67    71    74  -0.95700  1.0 1.0
   61    67    71    74  -0.18200 -1.0 2.0
   61    67    71    74   0.29450  1.0 3.0
   61    67    71    78  -0.95700  1.0 1.0
   61    67    71    78  -0.18200 -1.0 2.0
   61    67    71    78   0.29450  1.0 3.0
   62    61    67    68   0.50000  1.0 3.0
   62    61    67    69   0.30150 -1.0 2.0
   62    61    67    71   0.30150 -1.0 2.0
   67    69   -71    74   0.07850  1.0 1.0
   67    69   -71    74  -0.03950 -1.0 2.0
   67    69   -71    74   0.67350  1.0 3.0
   67    69   -71    78   0.07850  1.0 1.0
   67    69   -71    78  -0.03950 -1.0 2.0
   67    69   -71    78   0.67350  1.0 3.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    82   0.09850  1.0 1.0
   67    69    72    82   0.15250 -1.0 2.0
   67    69    72    82  -0.50650  1.0 3.0
   67    71    74    75   0.15000  1.0 3.0
   67    71    74    76   0.15000  1.0 3.0
   67    71    74    77   0.15000  1.0 3.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67   -69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67   -71    69   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    71    78   0.15000  1.0 3.0
   69    67   -71    74   0.07850  1.0 1.0
   69    67   -71    74  -0.03950 -1.0 2.0
   69    67   -71    74   0.67350  1.0 3.0
   69    67   -71    78   0.07850  1.0 1.0
   69    67   -71    78  -0.03950 -1.0 2.0
   69    67   -71    78   0.67350  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    79   0.15000  1.0 3.0
   69    71    78    80   0.15000  1.0 3.0
   69    71    78    81   0.15000  1.0 3.0
   69    72    82    83   7.00000 -1.0 2.0
   69    72    82    87   7.00000 -1.0 2.0
   70    69   -71    67   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.15000  1.0 3.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    82   0.00000  1.0 1.0
   71    67   -69    70   0.15000  1.0 3.0
   71    67   -69    72   0.34400  1.0 1.0
   71    67   -69    72   0.09450 -1.0 2.0
   71    67   -69    72   0.11100  1.0 3.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    82   0.09850  1.0 1.0
   71    69    72    82   0.15250 -1.0 2.0
   71    69    72    82  -0.50650  1.0 3.0
   74    71    78    79   0.15000  1.0 3.0
   74    71    78    80   0.15000  1.0 3.0
   74    71    78    81   0.15000  1.0 3.0
   78    71    74    75   0.15000  1.0 3.0
   78    71    74    76   0.15000  1.0 3.0
   78    71    74    77   0.15000  1.0 3.0
   72    69   -71    67   0.34400  1.0 1.0
   72    69   -71    67   0.09450 -1.0 2.0
   72    69   -71    67   0.11100  1.0 3.0
   72    69    71    74   0.34400  1.0 1.0
   72    69    71    74   0.09450 -1.0 2.0
   72    69    71    74   0.11100  1.0 3.0
   72    69    71    78   0.34400  1.0 1.0
   72    69    71    78   0.09450 -1.0 2.0
   72    69    71    78   0.11100  1.0 3.0
   72    82    83    84   0.00000  1.0 1.0
   72    82    83    85   0.00000  1.0 1.0
   72    82    83    86   0.00000  1.0 1.0
   72    82    87    88   0.00000  1.0 1.0
   72    82    87    89   0.00000  1.0 1.0
   72    82    87    90   0.00000  1.0 1.0
   73    72    82    83   7.00000 -1.0 2.0
   73    72    82    87   7.00000 -1.0 2.0
   83    82    87    88   0.34800  1.0 3.0
   83    82    87    89   0.34800  1.0 3.0
   83    82    87    90   0.34800  1.0 3.0
   87    82    83    84   0.34800  1.0 3.0
   87    82    83    85   0.34800  1.0 3.0
   87    82    83    86   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    63   0.09850  1.0 1.0
   51    55    58    63   0.15250 -1.0 2.0
   51    55    58    63  -0.50650  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    65   0.15000  1.0 3.0
   55    58    63    66   0.15000  1.0 3.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.33100  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  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
   37    48    43    44  10.50000 -1.0 2.0
   57    67    61    62  10.50000 -1.0 2.0
   69    73    72    82  15.00000 -1.0 2.0
   83    87    82    72  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
END
