* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    159    230     451
    1     0 S   NP   _N1_     1    28.77101    94.11587   -20.84850
    2     1 S   H    _HN1     2     1.02837    28.44056   148.56581
    3     1 S   H    _H1_     3     1.02779    88.01159   -76.24055
    4     1 S   H    _H2_     4     1.02961    95.26854    31.97094
    5     1 S   CT   _CA1     5     1.50086   138.71370   161.46649
    6     5 S   HC   _HA1     6     1.09576   105.27704    52.59956
    7     5 S   CO3  _C1_     7     1.53876   112.41045   -67.64893
    8     7 S   O2Z  _O11     8     1.26357   115.01502   -44.34948
    9     7 S   O2Z  _O12     9     1.26250   114.93637   134.96246
   10     5 S   CT   _CB1    10     1.53129   107.44300   170.51757
   11    10 S   HC   HB11    11     1.09811   109.51941   -51.20233
   12    10 S   HC   HB12    12     1.09822   110.35350    65.44382
   13    10 S   CT   _CG1    13     1.52907   112.47574  -172.35330
   14    13 S   HC   HG11    14     1.09540   110.11050   -60.49176
   15    13 S   HC   HG12    15     1.09633   110.20355    58.59947
   16    13 S   C    _CD1    16     1.51758   112.52385   179.22267
   17    16 S   O    _OE1    17     1.22689   123.35781    -9.65241
   18    16 S   N    _N2_    18     1.38560   111.37695   170.62864
   19    18 S   H    _HN2    19     1.01428   118.84370     2.37125
   20    18 S   CT1  _CA2    20     1.46094   123.83004  -177.11446
   21    20 S   HC   _HA2    21     1.09688   109.27386   -16.35602
   22    20 S   C    _C2_    22     1.53526   108.30367  -132.61022
   23    22 S   O    _O2_    23     1.23036   122.08698  -150.43517
   24    20 S   CT   _CB2    32     1.53615   111.57700   105.93724
   25    24 S   HC   HB21    33     1.09619   109.65897    59.23212
   26    24 S   HC   HB22    34     1.09529   110.30279   177.94557
   27    22 S   N    _N3_    24     1.38466   113.63636    36.48626
   28    27 S   H    _HN3    25     1.01523   118.89542     0.56093
   29    24 S   S    _SG2    35     1.82570   112.49190   -61.53951
   30    27 S   CT   _CA3    26     1.45419   123.45076   176.67952
   31    30 S   HC   HA31    27     1.09531   109.13262    25.99043
   32    30 S   HC   HA32    28     1.09497   107.08353   142.89587
   33    29 S   CT   _C20    36     1.82759    99.06956   175.23564
   34    33 S   HC   _H30    37     1.09451   107.77635   -41.14684
   35    33 S   HC   _H31    38     1.09474   108.16214    75.65619
   36    30 S   CO3  _C3_    29     1.52892   113.25515   -97.54010
   37    36 S   O2Z  _O31    30     1.26395   115.44844   -43.32415
   38    36 S   O2Z  _O32    31     1.26360   114.94506   137.65607
   39    33 S   CT   _C16    39     1.53760   113.36870  -162.14300
   40    39 S   HC   _H5_    40     1.09800   109.07764  -178.85756
   41    39 S   CT   _C17    41     1.53105   113.72451   -58.17988
   42    41 S   HC   _H25    42     1.09575   110.45870   -48.98359
   43    41 S   HC   _H26    43     1.09556   111.32280    74.02484
   44    39 S   OS   _O34    51     1.44930   109.64531    62.47527
   45    41 S   OS   _O35    44     1.44176   107.93586  -167.68235
   46    44 S   CO4  _C15    52     1.36264   117.48559    80.91534
   47    46 S   O    _O33    53     1.22406   125.98326     4.36071
   48    45 S   CO4  _C18    45     1.36256   115.52221   179.42529
   49    48 S   O    _O36    46     1.22330   126.24055    -0.38206
   50    46 S   CT   _C14    54     1.51051   109.97625  -174.74182
   51    50 S   HC   _H23    55     1.09615   110.18065     4.96996
   52    50 S   HC   _H24    56     1.09549   107.41160  -111.48920
   53    48 S   CT   _C19    47     1.49834   109.60082   179.66545
   54    53 S   HC   _H27    48     1.09291   109.83440   -60.74430
   55    53 S   HC   _H28    49     1.09380   109.35925  -179.77272
   56    53 S   HC   _H29    50     1.09288   109.83525    61.17180
   57    50 S   CT   _C13    57     1.52794   111.50325   127.34784
   58    57 S   HC   _H21    58     1.09676   109.96876    54.39774
   59    57 S   HC   _H22    59     1.09664   108.75438   171.25980
   60    57 S   CT   _C12    60     1.53136   112.17463   -67.89617
   61    60 S   HC   _H19    61     1.09619   109.90839    57.24379
   62    60 S   HC   _H20    62     1.09670   109.47182   -60.07662
   63    60 S   CT   _C11    63     1.53040   111.62928   178.29636
   64    63 S   HC   _H17    64     1.09665   109.56121   -57.91942
   65    63 S   HC   _H18    65     1.09650   109.83543    59.69225
   66    63 S   CT   _C10    66     1.52834   110.71808  -178.94205
   67    66 S   HC   _H15    67     1.09603   109.24378   -61.40272
   68    66 S   HC   _H16    68     1.09669   109.35435    55.94218
   69    66 S   CT   _C9_    69     1.52716   112.20587   177.27725
   70    69 S   HC   _H13    70     1.09693   109.84351    59.29915
   71    69 S   HC   _H14    71     1.09696   109.80304   -57.83210
   72    69 S   CT   _C8_    72     1.53036   110.88293  -179.16984
   73    72 S   HC   _H11    73     1.09720   109.58325    57.24991
   74    72 S   HC   _H12    74     1.09659   109.73722   -59.80032
   75    72 S   C3T  _C7_    75     1.49822   111.28427   179.85196
   76    75 S   HC   _H4_    76     1.08428   112.16505    61.28983
   77    75 S   C3T  _C6_    77     1.50754   119.87366  -155.80803
   78    77 S   HC   _H9_    78     1.08355   118.64236     2.64752
   79    77 S   HC   _H10    79     1.08353   117.63327  -141.49316
   80    75 S   C3T  _C5_    80     1.50782   120.21701   -85.34532
   81    80 S   HC   _H3_    81     1.08379   118.37851    -2.11257
   82    80 S   CT   _C4_    82     1.48939   120.03281   140.99149
   83    82 S   HC   _H6_    83     1.09499   112.16189    35.14771
   84    82 S   HC   _H7_    84     1.09444   110.06579   -85.25444
   85    82 S   HC   _H8_    85     1.09441   110.11794   155.59514
  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   7   5   4   3
  10   5   4   2   1   1  10   6   8   4   3   7   6   8   4   5
   4   9   5   4   3   2   1   1   9   5   4   9   5   4   9   5
   4   9   5   4   9   5   4  10   5   4  10   6   8   4   3   5
   4   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    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    46  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    48    44    46    47    50  
   41    42    43    45    44    46  
   42    43    45    48    49    53    44    46  
   43    45    48    44  
   45    48    44  
   46    47    50    51    52    57    45  
   48    49    53    54    55    56  
   47    50    51    52    57    58    59    60  
   50    51    52    57  
   49    53    54    55    56  
   53    54    55    56  
   51    52    57    58    59    60    61    62    63  
   52    57    58    59    60  
   57    58    59    60  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    80  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83    84    85  
   77    78    79    80    81    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    48   214.000  1.327
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   44    46   214.000  1.327
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   275.000  1.510
   75    76   340.000  1.088
   75    77   260.000  1.509
   75    80   260.000  1.509
   77    78   340.000  1.088
   77    79   340.000  1.088
   77    80   260.000  1.509
   80    81   340.000  1.088
   80    82   275.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    46    83.00000  116.90000
   41    39    40    37.50000  110.70000
   41    45    48    83.00000  116.90000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   45    48    49    83.00000  123.40000
   45    48    53    81.00000  111.40000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   53    48    49    80.00000  120.40000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  109.50000
   44    46    47    83.00000  123.40000
   44    46    50    81.00000  111.40000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    57    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    70.00000  112.37300
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    40.00000  115.04500
   72    75    77    60.00000  120.94000
   72    75    80    60.00000  120.94000
   74    72    73    33.00000  107.80000
   75    72    73    45.00000  109.38400
   75    72    74    45.00000  109.38400
   75    77    78    37.50000  117.20000
   75    77    79    37.50000  117.20000
   75    77    80    10.00000   60.00500
   75    80    77    10.00000   60.00500
   75    80    81    37.50000  117.20000
   75    80    82    60.00000  120.94000
   77    75    76    37.50000  117.20000
   77    80    81    37.50000  117.20000
   77    80    82    60.00000  120.94000
   79    77    78    35.00000  114.30000
   80    75    76    37.50000  117.20000
   80    75    77    10.00000   60.00500
   80    77    78    37.50000  117.20000
   80    77    79    37.50000  117.20000
   80    82    83    45.00000  109.38400
   80    82    84    45.00000  109.38400
   80    82    85    45.00000  109.38400
   82    80    81    40.00000  115.04500
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    44    46  -0.25900  1.0 1.0
   33    39    44    46  -0.47000 -1.0 2.0
   33    39    44    46   0.11750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    45    48  -0.25900  1.0 1.0
   39    41    45    48  -0.47000 -1.0 2.0
   39    41    45    48   0.11750  1.0 3.0
   39    44    46    47   3.00000 -1.0 2.0
   39    44    46    50   1.63150  1.0 1.0
   39    44    46    50   2.92000 -1.0 2.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    46   0.08050  1.0 3.0
   41    39    44    46  -0.25900  1.0 1.0
   41    39    44    46  -0.47000 -1.0 2.0
   41    39    44    46   0.11750  1.0 3.0
   41    45    48    49   3.00000 -1.0 2.0
   41    45    48    53   1.63150  1.0 1.0
   41    45    48    53   2.92000 -1.0 2.0
   42    41    45    48   0.08050  1.0 3.0
   43    41    45    48   0.08050  1.0 3.0
   45    48    53    54   0.00000  1.0 1.0
   45    48    53    55   0.00000  1.0 1.0
   45    48    53    56   0.00000  1.0 1.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    55   0.00000  1.0 1.0
   49    48    53    56   0.00000  1.0 1.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   1.11900  1.0 1.0
   44    39    41    45  -1.16350 -1.0 2.0
   44    39    41    45  -0.34150  1.0 3.0
   44    46    50    51   0.00000  1.0 1.0
   44    46    50    52   0.00000  1.0 1.0
   44    46    50    57   0.36750  1.0 3.0
   46    50    57    58  -0.11250  1.0 3.0
   46    50    57    59  -0.11250  1.0 3.0
   46    50    57    60  -0.95700  1.0 1.0
   46    50    57    60  -0.18200 -1.0 2.0
   46    50    57    60   0.29450  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    57   0.30150 -1.0 2.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.15000  1.0 3.0
   50    57    60    63   0.56750  1.0 1.0
   50    57    60    63  -0.07550 -1.0 2.0
   50    57    60    63   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.47050  1.0 1.0
   66    69    72    75   0.03900 -1.0 2.0
   66    69    72    75   0.20100  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.07850  1.0 1.0
   69    72    75    77  -0.03950 -1.0 2.0
   69    72    75    77   0.67350  1.0 3.0
   69    72    75    80   0.07850  1.0 1.0
   69    72    75    80  -0.03950 -1.0 2.0
   69    72    75    80   0.67350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   0.15000  1.0 3.0
   72    75    77    79   0.15000  1.0 3.0
   72    75   -77    80   0.07850  1.0 1.0
   72    75   -77    80  -0.03950 -1.0 2.0
   72    75   -77    80   0.67350  1.0 3.0
   72    75   -80    77   0.07850  1.0 1.0
   72    75   -80    77  -0.03950 -1.0 2.0
   72    75   -80    77   0.67350  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.56750  1.0 1.0
   72    75    80    82  -0.07550 -1.0 2.0
   72    75    80    82   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    77   -80    81   0.15000  1.0 3.0
   75    77   -80    82   0.07850  1.0 1.0
   75    77   -80    82  -0.03950 -1.0 2.0
   75    77   -80    82   0.67350  1.0 3.0
   75    80    82    83   0.15000  1.0 3.0
   75    80    82    84   0.15000  1.0 3.0
   75    80    82    85   0.15000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75   -77    80   0.15000  1.0 3.0
   76    75   -80    77   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   77    75   -80    81   0.15000  1.0 3.0
   77    75   -80    82   0.07850  1.0 1.0
   77    75   -80    82  -0.03950 -1.0 2.0
   77    75   -80    82   0.67350  1.0 3.0
   77    80    82    83   0.15000  1.0 3.0
   77    80    82    84   0.15000  1.0 3.0
   77    80    82    85   0.15000  1.0 3.0
   78    77   -80    75   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   79    77   -80    75   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   80    75   -77    78   0.15000  1.0 3.0
   80    75   -77    79   0.15000  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   45    53    48    49  10.50000 -1.0 2.0
   44    50    46    47  10.50000 -1.0 2.0
END
