* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    151    245     446
    1     0 S   NP   _N1_     1    29.08945    97.67926   -21.62296
    2     1 S   H    _HN1     2     1.02953    71.32717    29.78047
    3     1 S   H    _H1_     3     1.02835    48.61576   164.93297
    4     1 S   H    _H2_     4     1.02789    89.04051   -79.98343
    5     1 S   CT   _CA1     5     1.50048   155.64517   128.23083
    6     5 S   HC   _HA1     6     1.09575   105.25005    87.62328
    7     5 S   CO3  _C1_     7     1.53832   112.76916   -32.59003
    8     7 S   O2Z  _O11     8     1.26337   115.04569   -38.18677
    9     7 S   O2Z  _O12     9     1.26366   115.08426   141.57283
   10     5 S   CT   _CB1    10     1.53175   107.48403  -154.33017
   11    10 S   HC   HB11    11     1.09805   109.49495   -51.04690
   12    10 S   HC   HB12    12     1.09816   110.42935    65.73396
   13    10 S   CT   _CG1    13     1.52776   112.27092  -172.14360
   14    13 S   HC   HG11    14     1.09389   110.15168   -63.97903
   15    13 S   HC   HG12    15     1.09670   109.98761    55.04232
   16    13 S   C    _CD1    16     1.51583   113.09269   175.86327
   17    16 S   O    _OE1    17     1.22641   123.54628    -2.79666
   18    16 S   N    _N2_    18     1.38586   111.04542   177.67780
   19    18 S   H    _HN2    19     1.01651   118.84035     0.89175
   20    18 S   CT1  _CA2    20     1.46093   123.90454   177.87404
   21    20 S   HC   _HA2    21     1.09715   109.55477     1.79100
   22    20 S   C    _C2_    22     1.53551   108.57724  -113.87067
   23    22 S   O    _O2_    23     1.23060   122.29077  -149.15203
   24    20 S   CT   _CB2    32     1.53133   110.68263   124.14570
   25    24 S   HC   HB21    33     1.09588   109.62981    51.91573
   26    24 S   HC   HB22    34     1.09485   111.06314   170.56839
   27    22 S   N    _N3_    24     1.38328   113.73839    38.37136
   28    27 S   H    _HN3    25     1.01584   119.55897    -3.50112
   29    24 S   S    _SG2    35     1.82928   111.47041   -70.44626
   30    27 S   CT   _CA3    26     1.45288   123.21891   177.12860
   31    30 S   HC   HA31    27     1.09550   107.48921   -64.86361
   32    30 S   HC   HA32    28     1.09556   108.01095    51.58177
   33    29 S   CT   _C7_    36     1.84861    99.51603   141.59237
   34    33 S   HC   _H3_    37     1.09850   105.50520    30.04558
   35    30 S   CO3  _C3_    29     1.52959   114.06981   173.55053
   36    35 S   O2Z  _O31    30     1.26379   116.05212    -1.99253
   37    35 S   O2Z  _O32    31     1.26431   114.41895   178.07624
   38    33 S   CM   _C4_    38     1.51568   110.81978   143.19246
   39    38 S   CMA  _C5_    39     1.35657   124.16826   124.56705
   40    39 S   OM   _O16    40     1.26715   129.38549   175.47035
   41    38 S   CT   _C16    74     1.52069   114.68889   -60.59658
   42    41 S   HC   _H32    75     1.09553   110.29346   -45.28146
   43    41 S   HC   _H33    76     1.09450   113.27203  -164.51208
   44    41 S   HC   _H34    77     1.09434   110.77598    75.03613
   45    39 S   CT   _C8_    41     1.54470   119.78672    -1.81359
   46    45 S   HC   _H27    42     1.09391   104.75765   102.82906
   47    45 S   CT   _C13    43     1.57046   118.22404   -18.99856
   48    45 S   OH   _O19    72     1.44056   110.52388  -143.91409
   49    48 S   HO   _H40    73     0.97421   106.12332   -27.59219
   50    33 S   CT   _C9_    44     1.54760   110.23035   -86.19775
   51    50 S   HC   _H28    45     1.09426   107.61225    21.99922
   52    47 S   CT   _C14    53     1.63334   111.30748   159.59657
   53    47 S   CT   _C18    67     1.56895   109.89315   -79.81324
   54    53 S   HC   _H38    68     1.09259   111.20299   -72.37605
   55    53 S   HC   _H39    69     1.09353   111.31561   167.92264
   56    50 S   OS   _O18    46     1.44715   105.63255   134.07188
   57    64 S   C3T  _C15    54     1.48690   107.14092   -62.70209
   58    52 S   CT   _C17    59     1.53590   115.10118    61.39298
   59    58 S   HC   _H35    60     1.09233   112.27555   -58.83105
   60    58 S   HC   _H36    61     1.09619   111.70823  -176.87732
   61    58 S   HC   _H37    62     1.09317   111.97168    63.60057
   62    53 S   OH   _O22    70     1.41950   113.39066    47.31228
   63    62 S   HO   _H43    71     0.97171   107.39277  -178.81568
   64    56 S   CT   _C10    47     1.42845   116.54430   176.92750
   65    64 S   HC   _H29    48     1.09444   107.85948   174.30767
   66    57 S   C3T  _C6_    55     1.51133   124.84443   -92.67989
   67    66 S   HC   _H24    56     1.08262   118.18881     8.31883
   68    66 S   HC   _H25    57     1.08175   119.48471   155.84009
   69    64 S   CT   _C11    49     1.53998   115.25730    49.16775
   70    69 S   HC   _H30    50     1.09782   108.88418   159.70389
   71    57 S   O3T  _O17    58     1.43833   113.91982  -159.32447
   72    69 S   CT   _C12    51     1.55143   104.98111   -82.89549
   73    72 S   HC   _H31    52     1.09019   112.59885   117.43964
   74    69 S   OH   _O20    65     1.41598   113.10899    40.44817
   75    74 S   HO   _H41    66     0.97330   106.90832   178.65433
   76    72 S   OH   _O21    63     1.42748   108.04045  -125.37630
   77    76 S   HO   _H42    64     0.97587   107.27640   -75.93883
  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   9   5   4   3
  16   7   2   1   1  13  13   5   5   2   1   1  15   6  23   4
   1  13   4  23   8   3   2   9  16  10   3   2   1   1   1  12
   6   5   2   1   8   5   1   5   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    47    50    51    56    64    52    53    41    42    43    44  
   38    39    47    50    51    56    41  
   36    37  
   37  
    0  
   39    40    45    46    47    50    51    56    48    41    42    43    44  
   40    45    46    47    50    52    53    48    49    41    42    43    44  
   45    46    47    48    41  
   42    43    44    45    50  
   43    44  
   44  
    0  
   46    47    50    51    56    72    52    57    58    53    54    55    62    48    49  
   47    50    52    53    48    49  
   50    51    56    64    69    72    73    52    57    66    71    58    59    60    61    76    53    54    55    62    63    48    49  
   49    50    52    53  
    0  
   51    56    64    65    69    72    52    57    58    53    54    55    62  
   56    64    52    53  
   57    66    67    68    71    58    59    60    61    76    77    74    53    54    55    62    56    64    65    69    70    72    73  
   54    55    62    63    56    57    58    72  
   55    62    63  
   62    63  
   64    65    69    70    72    57    66    71    74  
   66    67    68    71    58    59    60    61    76    74    64    65    69    70    72    73  
   59    60    61    76    64    66    69    71    72    73  
   60    61    72  
   61    72  
   72  
   63  
    0  
   65    69    70    72    73    66    67    68    71    76    74    75  
   69    70    72    66    71    74  
   67    68    71    69    72  
   68    71  
   71  
   70    72    73    71    76    77    74    75  
   72    73    76    74    75  
   72  
   73    76    77    74    75  
   76    77    74  
   75    76  
    0  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.056200   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    52   268.000  1.529
   47    53   268.000  1.529
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    57   275.000  1.510
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    74   320.000  1.410
   72    73   340.000  1.090
   72    52   268.000  1.529
   72    76   320.000  1.410
   52    57   275.000  1.510
   52    58   268.000  1.529
   57    66   260.000  1.509
   57    71   335.000  1.432
   66    67   340.000  1.088
   66    68   340.000  1.088
   66    71   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   76    77   553.000  0.945
   74    75   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   320.000  1.410
   62    63   553.000  0.945
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    45.00000  110.52000
   39    45    47    70.00000  112.02700
   39    45    48    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    50.00000  109.50000
   47    52    72    58.35000  112.70000
   47    52    57    70.00000  112.37300
   47    52    58    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    62    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    56    64    60.00000  109.50000
   56    50    51    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    69    50.00000  109.50000
   56    64    57    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    72    58.35000  112.70000
   64    69    74    50.00000  109.50000
   64    57    52    58.35000  112.70000
   64    57    66    60.00000  120.94000
   64    57    71    80.00000  116.47100
   69    64    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    52    58.35000  112.70000
   69    72    76    50.00000  109.50000
   69    74    75    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    52    57    70.00000  112.37300
   72    52    58    58.35000  112.70000
   72    76    77    55.00000  108.50000
   52    47    50    58.35000  112.70000
   52    72    73    37.50000  110.70000
   52    57    66    60.00000  120.94000
   52    57    71    80.00000  116.47100
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   57    64    65    45.00000  109.38400
   57    64    69    70.00000  112.37300
   57    66    67    37.50000  117.20000
   57    66    68    37.50000  117.20000
   57    66    71    15.00000   60.43100
   57    71    66    15.00000   59.14900
   68    66    67    35.00000  114.30000
   71    57    66    15.00000   60.43100
   71    66    67    50.00000  114.27700
   71    66    68    50.00000  114.27700
   58    52    57    70.00000  112.37300
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    52    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    72    50.00000  109.50000
   53    47    50    58.35000  112.70000
   53    47    52    58.35000  112.70000
   53    62    63    55.00000  108.50000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    50    56    64   0.06250  1.0 1.0
   33    50    56    64  -0.01100 -1.0 2.0
   33    50    56    64   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    56   0.23400  1.0 3.0
   38    33    50    47   0.34400  1.0 1.0
   38    33    50    47   0.09450 -1.0 2.0
   38    33    50    47   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.61850  1.0 1.0
   38    33    50    56  -0.22750 -1.0 2.0
   38    33    50    56   0.15300  1.0 3.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    47   0.09850  1.0 1.0
   38    39   -45    47   0.15250 -1.0 2.0
   38    39   -45    47  -0.50650  1.0 3.0
   38    39    45    48   0.67800  1.0 1.0
   38    39    45    48   0.47050 -1.0 2.0
   38    39    45    48  -0.62500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   39    45    47    52   0.34400  1.0 1.0
   39    45    47    52   0.09450 -1.0 2.0
   39    45    47    52   0.11100  1.0 3.0
   39    45    47    53   0.34400  1.0 1.0
   39    45    47    53   0.09450 -1.0 2.0
   39    45    47    53   0.11100  1.0 3.0
   39    45    48    49  -0.07800  1.0 1.0
   39    45    48    49  -0.21500 -1.0 2.0
   39    45    48    49  -0.03150  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09700  1.0 1.0
   40    39    45    47   0.15600 -1.0 2.0
   40    39    45    47  -0.50800  1.0 3.0
   40    39    45    48   0.09700  1.0 1.0
   40    39    45    48   0.15600 -1.0 2.0
   40    39    45    48  -0.50800  1.0 3.0
   45    47   -50    33   0.56750  1.0 1.0
   45    47   -50    33  -0.07550 -1.0 2.0
   45    47   -50    33   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    56   0.62750  1.0 1.0
   45    47    50    56  -0.30950 -1.0 2.0
   45    47    50    56   0.27300  1.0 3.0
   45    47    52    72   0.56750  1.0 1.0
   45    47    52    72  -0.07550 -1.0 2.0
   45    47    52    72   0.20000  1.0 3.0
   45    47    52    57   0.47050  1.0 1.0
   45    47    52    57   0.03900 -1.0 2.0
   45    47    52    57   0.20100  1.0 3.0
   45    47    52    58   0.56750  1.0 1.0
   45    47    52    58  -0.07550 -1.0 2.0
   45    47    52    58   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    55   0.15000  1.0 3.0
   45    47    53    62   0.86500  1.0 1.0
   45    47    53    62  -0.17500 -1.0 2.0
   45    47    53    62   0.20800  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    48    49   0.19450  1.0 3.0
   47    45    48    49  -0.11600  1.0 1.0
   47    45    48    49  -0.09450 -1.0 2.0
   47    45    48    49   0.21250  1.0 3.0
   47    50    56    64   0.06250  1.0 1.0
   47    50    56    64  -0.01100 -1.0 2.0
   47    50    56    64   0.28050  1.0 3.0
   47    52   -57    64   0.56750  1.0 1.0
   47    52   -57    64  -0.07550 -1.0 2.0
   47    52   -57    64   0.20000  1.0 3.0
   47    52    57    66   0.07850  1.0 1.0
   47    52    57    66  -0.03950 -1.0 2.0
   47    52    57    66   0.67350  1.0 3.0
   47    52    57    71   0.02550  1.0 1.0
   47    52    57    71  -0.02600 -1.0 2.0
   47    52    57    71   1.20400  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   47    53    62    63  -0.11600  1.0 1.0
   47    53    62    63  -0.09450 -1.0 2.0
   47    53    62    63   0.21250  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.46850  1.0 1.0
   50    33    38    41   0.08550 -1.0 2.0
   50    33    38    41   0.09800  1.0 3.0
   50    47    52    72   0.56750  1.0 1.0
   50    47    52    72  -0.07550 -1.0 2.0
   50    47    52    72   0.20000  1.0 3.0
   50    47    52    57   0.47050  1.0 1.0
   50    47    52    57   0.03900 -1.0 2.0
   50    47    52    57   0.20100  1.0 3.0
   50    47    52    58   0.56750  1.0 1.0
   50    47    52    58  -0.07550 -1.0 2.0
   50    47    52    58   0.20000  1.0 3.0
   50    47    53    54   0.15000  1.0 3.0
   50    47    53    55   0.15000  1.0 3.0
   50    47    53    62   0.86500  1.0 1.0
   50    47    53    62  -0.17500 -1.0 2.0
   50    47    53    62   0.20800  1.0 3.0
   50    56    64    65   0.37050  1.0 3.0
   50    56    64    69   0.06250  1.0 1.0
   50    56    64    69  -0.01100 -1.0 2.0
   50    56    64    69   0.28050  1.0 3.0
   50    56   -64    57   0.06250  1.0 1.0
   50    56   -64    57  -0.01100 -1.0 2.0
   50    56   -64    57   0.28050  1.0 3.0
   51    50    56    64   0.37050  1.0 3.0
   56    64    69    70   0.23400  1.0 3.0
   56    64    69    72   0.62750  1.0 1.0
   56    64    69    72  -0.30950 -1.0 2.0
   56    64    69    72   0.27300  1.0 3.0
   56    64    69    74   3.69350  1.0 1.0
   56    64    69    74  -1.82950 -1.0 2.0
   56    64    57    52   0.62750  1.0 1.0
   56    64    57    52  -0.30950 -1.0 2.0
   56    64    57    52   0.27300  1.0 3.0
   56    64    57    66  -0.26800  1.0 1.0
   56    64    57    66   0.69150 -1.0 2.0
   56    64    57    66  -0.48750  1.0 3.0
   56    64    57    71   1.11900  1.0 1.0
   56    64    57    71  -1.16350 -1.0 2.0
   56    64    57    71  -0.34150  1.0 3.0
   64    69    72    73   0.15000  1.0 3.0
   64    69   -72    52   0.56750  1.0 1.0
   64    69   -72    52  -0.07550 -1.0 2.0
   64    69   -72    52   0.20000  1.0 3.0
   64    69    72    76   0.86500  1.0 1.0
   64    69    72    76  -0.17500 -1.0 2.0
   64    69    72    76   0.20800  1.0 3.0
   64    69    74    75  -0.11600  1.0 1.0
   64    69    74    75  -0.09450 -1.0 2.0
   64    69    74    75   0.21250  1.0 3.0
   64    57    66    67   0.15000  1.0 3.0
   64    57    66    68   0.15000  1.0 3.0
   64    57   -66    71   0.02550  1.0 1.0
   64    57   -66    71  -0.02600 -1.0 2.0
   64    57   -66    71   1.20400  1.0 3.0
   64    57   -71    66   0.06250  1.0 1.0
   64    57   -71    66  -0.01100 -1.0 2.0
   64    57   -71    66   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    64    69    74   0.23400  1.0 3.0
   65    64    57    52   0.15000  1.0 3.0
   65    64    57    66   0.15000  1.0 3.0
   65    64    57    71   0.23400  1.0 3.0
   69    64   -57    52   0.56750  1.0 1.0
   69    64   -57    52  -0.07550 -1.0 2.0
   69    64   -57    52   0.20000  1.0 3.0
   69    64    57    66   0.07850  1.0 1.0
   69    64    57    66  -0.03950 -1.0 2.0
   69    64    57    66   0.67350  1.0 3.0
   69    64    57    71   0.02550  1.0 1.0
   69    64    57    71  -0.02600 -1.0 2.0
   69    64    57    71   1.20400  1.0 3.0
   69    72    52    47   0.56750  1.0 1.0
   69    72    52    47  -0.07550 -1.0 2.0
   69    72    52    47   0.20000  1.0 3.0
   69    72   -52    57   0.47050  1.0 1.0
   69    72   -52    57   0.03900 -1.0 2.0
   69    72   -52    57   0.20100  1.0 3.0
   69    72    52    58   0.56750  1.0 1.0
   69    72    52    58  -0.07550 -1.0 2.0
   69    72    52    58   0.20000  1.0 3.0
   69    72    76    77  -0.11600  1.0 1.0
   69    72    76    77  -0.09450 -1.0 2.0
   69    72    76    77   0.21250  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    52   0.15000  1.0 3.0
   70    69    72    76   0.23400  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   72    69    74    75  -0.11600  1.0 1.0
   72    69    74    75  -0.09450 -1.0 2.0
   72    69    74    75   0.21250  1.0 3.0
   72    52   -57    64   0.56750  1.0 1.0
   72    52   -57    64  -0.07550 -1.0 2.0
   72    52   -57    64   0.20000  1.0 3.0
   72    52    57    66   0.07850  1.0 1.0
   72    52    57    66  -0.03950 -1.0 2.0
   72    52    57    66   0.67350  1.0 3.0
   72    52    57    71   0.02550  1.0 1.0
   72    52    57    71  -0.02600 -1.0 2.0
   72    52    57    71   1.20400  1.0 3.0
   72    52    58    59   0.15000  1.0 3.0
   72    52    58    60   0.15000  1.0 3.0
   72    52    58    61   0.15000  1.0 3.0
   73    72    52    47   0.15000  1.0 3.0
   73    72    52    57   0.15000  1.0 3.0
   73    72    52    58   0.15000  1.0 3.0
   73    72    76    77   0.19450  1.0 3.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47   -50    56   0.62750  1.0 1.0
   52    47   -50    56  -0.30950 -1.0 2.0
   52    47   -50    56   0.27300  1.0 3.0
   52    47    53    54   0.15000  1.0 3.0
   52    47    53    55   0.15000  1.0 3.0
   52    47    53    62   0.86500  1.0 1.0
   52    47    53    62  -0.17500 -1.0 2.0
   52    47    53    62   0.20800  1.0 3.0
   52    72    76    77  -0.11600  1.0 1.0
   52    72    76    77  -0.09450 -1.0 2.0
   52    72    76    77   0.21250  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57   -66    71   0.02550  1.0 1.0
   52    57   -66    71  -0.02600 -1.0 2.0
   52    57   -66    71   1.20400  1.0 3.0
   52    57   -71    66   0.06250  1.0 1.0
   52    57   -71    66  -0.01100 -1.0 2.0
   52    57   -71    66   0.28050  1.0 3.0
   57    64    69    70   0.15000  1.0 3.0
   57    64   -69    72   0.47050  1.0 1.0
   57    64   -69    72   0.03900 -1.0 2.0
   57    64   -69    72   0.20100  1.0 3.0
   57    64    69    74   0.86500  1.0 1.0
   57    64    69    74  -0.17500 -1.0 2.0
   57    64    69    74   0.20800  1.0 3.0
   57    52    58    59   0.15000  1.0 3.0
   57    52    58    60   0.15000  1.0 3.0
   57    52    58    61   0.15000  1.0 3.0
   67    66   -71    57   0.36800  1.0 3.0
   68    66   -71    57   0.36800  1.0 3.0
   71    57   -66    67   0.23400  1.0 3.0
   71    57   -66    68   0.23400  1.0 3.0
   58    52    57    64   0.56750  1.0 1.0
   58    52    57    64  -0.07550 -1.0 2.0
   58    52    57    64   0.20000  1.0 3.0
   58    52    57    66   0.07850  1.0 1.0
   58    52    57    66  -0.03950 -1.0 2.0
   58    52    57    66   0.67350  1.0 3.0
   58    52    57    71   0.02550  1.0 1.0
   58    52    57    71  -0.02600 -1.0 2.0
   58    52    57    71   1.20400  1.0 3.0
   76    72    52    47   0.86500  1.0 1.0
   76    72    52    47  -0.17500 -1.0 2.0
   76    72    52    47   0.20800  1.0 3.0
   76    72    52    57   0.86500  1.0 1.0
   76    72    52    57  -0.17500 -1.0 2.0
   76    72    52    57   0.20800  1.0 3.0
   76    72    52    58   0.86500  1.0 1.0
   76    72    52    58  -0.17500 -1.0 2.0
   76    72    52    58   0.20800  1.0 3.0
   74    69    72    73   0.23400  1.0 3.0
   74    69    72    52   0.86500  1.0 1.0
   74    69    72    52  -0.17500 -1.0 2.0
   74    69    72    52   0.20800  1.0 3.0
   74    69    72    76   3.75450  1.0 1.0
   53    47    50    33   0.56750  1.0 1.0
   53    47    50    33  -0.07550 -1.0 2.0
   53    47    50    33   0.20000  1.0 3.0
   53    47    50    51   0.15000  1.0 3.0
   53    47    50    56   0.62750  1.0 1.0
   53    47    50    56  -0.30950 -1.0 2.0
   53    47    50    56   0.27300  1.0 3.0
   53    47    52    72   0.56750  1.0 1.0
   53    47    52    72  -0.07550 -1.0 2.0
   53    47    52    72   0.20000  1.0 3.0
   53    47    52    57   0.47050  1.0 1.0
   53    47    52    57   0.03900 -1.0 2.0
   53    47    52    57   0.20100  1.0 3.0
   53    47    52    58   0.56750  1.0 1.0
   53    47    52    58  -0.07550 -1.0 2.0
   53    47    52    58   0.20000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   55    53    62    63   0.19450  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   48    45    47    53   0.86500  1.0 1.0
   48    45    47    53  -0.17500 -1.0 2.0
   48    45    47    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
END
