* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    149    239     444
    1     0 S   NP   _N1_     1    28.87600    95.32070   -23.95691
    2     1 S   H    _HN1     2     1.02842    30.72886   166.69994
    3     1 S   H    _H1_     3     1.02801   110.74952  -103.19203
    4     1 S   H    _H2_     4     1.02927    77.37541     1.90423
    5     1 S   CT   _CA1     5     1.50085   130.41334   108.28995
    6     5 S   HC   _HA1     6     1.09563   105.20273    86.95518
    7     5 S   CO3  _C1_     7     1.53790   112.61280   -33.40806
    8     7 S   O2Z  _O11     8     1.26375   115.02312   -40.07943
    9     7 S   O2Z  _O12     9     1.26200   115.06260   139.35638
   10     5 S   CT   _CB1    10     1.53106   107.49665  -154.85277
   11    10 S   HC   HB11    11     1.09829   109.60024   -48.10277
   12    10 S   HC   HB12    12     1.09749   110.40959    68.56166
   13    10 S   CT   _CG1    13     1.52961   112.47941  -168.93779
   14    13 S   HC   HG11    14     1.09560   110.82442   -64.42898
   15    13 S   HC   HG12    15     1.09668   109.59735    54.71988
   16    13 S   C    _CD1    16     1.51768   112.16795   175.59691
   17    16 S   O    _OE1    17     1.22741   123.19410    15.55706
   18    16 S   N    _N2_    18     1.38583   111.64522  -165.50525
   19    18 S   H    _HN2    19     1.01596   119.02170     0.67869
   20    18 S   CT1  _CA2    20     1.46123   123.47105   177.86338
   21    20 S   HC   _HA2    21     1.09585   109.19678    -7.02602
   22    20 S   C    _C2_    22     1.53451   108.46744  -122.03852
   23    22 S   O    _O2_    23     1.23028   122.34897  -148.90752
   24    20 S   CT   _CB2    32     1.53244   111.48935   115.54242
   25    24 S   HC   HB21    33     1.09642   109.73578    57.05965
   26    24 S   HC   HB22    34     1.09542   111.36847   174.89704
   27    22 S   N    _N3_    24     1.38358   113.48207    38.68720
   28    27 S   H    _HN3    25     1.01626   119.47864    -3.62752
   29    24 S   S    _SG2    35     1.82770   113.39956   -62.50783
   30    27 S   CT   _CA3    26     1.45279   123.23843   176.99541
   31    30 S   HC   HA31    27     1.09549   107.54370   -63.82995
   32    30 S   HC   HA32    28     1.09556   107.94987    52.60747
   33    29 S   CT   _C14    36     1.82911    99.47325   -76.29307
   34    33 S   HC   _H19    37     1.09566   106.82978   -60.96770
   35    33 S   HC   _H20    38     1.09447   108.81290    55.89572
   36    30 S   CO3  _C3_    29     1.52960   114.05408   174.58659
   37    36 S   O2Z  _O31    30     1.26381   116.04368    -0.34492
   38    36 S   O2Z  _O32    31     1.26422   114.42000   179.70459
   39    33 S   CT   _C13    39     1.53981   111.80185   178.10524
   40    39 S   HC   _H5_    40     1.09919   109.38404    39.07172
   41    39 S   CA   _C15    41     1.52551   112.06430   156.89901
   42    39 S   CO4  _C12    52     1.52611   110.58116   -79.64914
   43    42 S   O    _O34    53     1.22441   124.91268   -92.21636
   44    41 S   CA   _C16    42     1.40421   122.03864    44.97852
   45    44 S   HA   _H21    43     1.08702   120.70570    -0.22900
   46    42 S   OS   _O33    54     1.36580   109.81093    87.45251
   47    44 S   CA   _C17    44     1.39647   120.69041   179.18916
   48    47 S   HA   _H22    45     1.08634   119.89663   179.96044
   49    46 S   CT   _C10    55     1.44125   117.11211   178.52727
   50    49 S   HC   _H16    56     1.09772   109.21965    37.78079
   51    47 S   CA   _C18    46     1.39278   120.13261    -0.31027
   52    51 S   HA   _H23    47     1.08608   120.05866  -179.92598
   53    49 S   CT   _C11    57     1.53908   109.57172   -82.58880
   54    53 S   HC   _H17    58     1.09682   109.30545    75.74141
   55    53 S   HC   _H18    59     1.09826   109.54677   -39.36960
   56    49 S   CT   _C9_    70     1.53730   108.14500   155.03526
   57    56 S   HC   _H14    71     1.09826   109.71209    40.45041
   58    56 S   HC   _H15    72     1.09663   108.99634   -74.50021
   59    51 S   CA   _C19    48     1.39268   119.87490    -0.20936
   60    59 S   HA   _H24    49     1.08631   119.97878  -179.68163
   61    53 S   CT   _C5_    60     1.53467   112.82281  -161.86060
   62    61 S   HC   _H3_    61     1.09458   111.35684   178.06609
   63    41 S   CA   _C20    50     1.40426   119.47642  -136.67518
   64    63 S   HA   _H25    51     1.08749   120.47516     0.79574
   65    61 S   CT   _C6_    62     1.52907   112.73472   -52.89401
   66    65 S   HC   _H10    63     1.09499   112.49519   -35.32828
   67    65 S   HC   _H11    64     1.09648   110.28235  -154.59052
   68    65 S   CT   _C7_    65     1.53207   105.58712    87.23317
   69    68 S   HC   _H12    66     1.09644   109.35269   118.85438
   70    68 S   HC   _H13    67     1.09452   111.98710  -122.81395
   71    68 S   CT   _C8_    68     1.53066   105.77197     0.12195
   72    71 S   HC   _H4_    69     1.09423   113.78949   144.44751
   73    61 S   NP   _N4_    73     1.51650   106.32305    59.22260
   74    73 S   H    _H9_    74     1.02962   109.67476    41.07787
   75    73 S   CT   _C4_    75     1.50038   114.90408   160.24908
   76    75 S   HC   _H6_    76     1.09215   109.83652    58.91826
   77    75 S   HC   _H7_    77     1.09295   107.68212   179.65226
   78    75 S   HC   _H8_    78     1.09293   107.66700   -61.79965
  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  12   6  12   8   2   8   4  10   6   3
  14   8   5   3  15   6   5  12   5   4   3   2  15   8   1   1
  10   6   5   7   4   3   7   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    47    59    63    64    42    43    46    49  
   41    44    63    42    43    46  
   44    45    47    48    51    59    60    63    64    42    43    46  
   43    46    49    50    53    56    44    63  
   46    49  
   45    47    48    51    52    59    63    64  
   47    48    51    63  
   49    50    53    54    55    61    71    56    57    58  
   48    51    52    59    60    63  
   51    52    59  
   50    53    54    55    61    62    65    68    71    72    56    57    58    73  
   53    54    55    61    71    56    57    58  
   52    59    60    63    64  
   59    60    63  
   54    55    61    62    65    66    67    68    71    56    57    58    73    74    75  
   55    61    62    65    56    73  
   61    62    65    56    73  
   57    58    73    74    75    61    65    68    69    70    71    72  
   58    73    68    71    72  
   73    68    71    72  
   60    63    64  
   63    64  
   62    65    66    67    68    69    70    71    72    73    74    75    76    77    78  
   65    66    67    68    71    73    74    75  
   64  
    0  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   74   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   39    42   317.000  1.522
   41    44   469.000  1.400
   41    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    73   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    56   268.000  1.529
   71    73   367.000  1.471
   56    57   340.000  1.090
   56    58   340.000  1.090
   73    74   434.000  1.010
   73    75   367.000  1.471
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    70.00000  112.17500
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  120.00000
   39    41    63    70.00000  120.00000
   39    42    43    80.00000  120.40000
   39    42    46    81.00000  111.40000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  120.00000
   41    44    47    63.00000  120.00000
   41    63    59    63.00000  120.00000
   41    63    64    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    59    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    59    60    35.00000  120.00000
   51    59    63    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    63    64    35.00000  120.00000
   63    41    44    63.00000  120.00000
   63    59    60    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  110.93000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    53    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    71    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    65    58.35000  112.70000
   53    61    73    80.00000  111.20000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    73    71    75.00000  113.01200
   61    73    74    35.00000  109.50000
   61    73    75    75.00000  113.01200
   65    61    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    56    58.35000  112.70000
   68    71    73    80.00000  111.20000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    56    57    37.50000  110.70000
   71    56    58    37.50000  110.70000
   71    73    74    35.00000  109.50000
   71    73    75    75.00000  113.01200
   56    49    50    37.50000  110.70000
   56    49    53    58.35000  112.70000
   56    71    72    37.50000  110.70000
   58    56    57    33.00000  107.80000
   73    61    62    35.00000  109.50000
   73    61    65    80.00000  111.20000
   73    71    72    35.00000  109.50000
   73    71    56    80.00000  111.20000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.04150 -1.0 2.0
   33    39    41    63   0.04150 -1.0 2.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    46   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.43200  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.43200  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    41    44    45   3.62500 -1.0 2.0
   39    41    44    47   3.62500 -1.0 2.0
   39    41    63    59   3.62500 -1.0 2.0
   39    41    63    64   3.62500 -1.0 2.0
   39    42    46    49   1.63150  1.0 1.0
   39    42    46    49   2.92000 -1.0 2.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    41    63   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46   0.00000  1.0 1.0
   41    39    42    43   0.30150 -1.0 2.0
   41    39    42    46   0.40000  1.0 3.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   44    41    63    59   3.62500 -1.0 2.0
   44    41    63    64   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47   -51    59   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    59    63   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    59   3.62500 -1.0 2.0
   51    59   -63    41   3.62500 -1.0 2.0
   51    59    63    64   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    63   3.62500 -1.0 2.0
   60    59    63    41   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   63    41    44    45   3.62500 -1.0 2.0
   63    41   -44    47   3.62500 -1.0 2.0
   42    39    41    44   0.04300 -1.0 2.0
   42    39    41    63   0.04300 -1.0 2.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    53  -0.25900  1.0 1.0
   42    46    49    53  -0.47000 -1.0 2.0
   42    46    49    53   0.11750  1.0 3.0
   42    46    49    56  -0.25900  1.0 1.0
   42    46    49    56  -0.47000 -1.0 2.0
   42    46    49    56   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49    53    54   0.23400  1.0 3.0
   46    49    53    55   0.23400  1.0 3.0
   46    49    53    61   0.62750  1.0 1.0
   46    49    53    61  -0.30950 -1.0 2.0
   46    49    53    61   0.27300  1.0 3.0
   46    49    56    71   0.62750  1.0 1.0
   46    49    56    71  -0.30950 -1.0 2.0
   46    49    56    71   0.27300  1.0 3.0
   46    49    56    57   0.23400  1.0 3.0
   46    49    56    58   0.23400  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    65   0.56750  1.0 1.0
   49    53    61    65  -0.07550 -1.0 2.0
   49    53    61    65   0.20000  1.0 3.0
   49    53    61    73   1.36600  1.0 1.0
   49    53    61    73  -0.11450 -1.0 2.0
   49    53    61    73   0.24250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    71   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   53    49    56    71   0.56750  1.0 1.0
   53    49    56    71  -0.07550 -1.0 2.0
   53    49    56    71   0.20000  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    61    65    66   0.15000  1.0 3.0
   53    61    65    67   0.15000  1.0 3.0
   53    61    65    68   0.56750  1.0 1.0
   53    61    65    68  -0.07550 -1.0 2.0
   53    61    65    68   0.20000  1.0 3.0
   53    61   -73    71   0.47100  1.0 1.0
   53    61    73    74   0.17350  1.0 3.0
   53    61    73    75   0.47100  1.0 1.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    65   0.15000  1.0 3.0
   54    53    61    73   0.19200  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    65   0.15000  1.0 3.0
   55    53    61    73   0.19200  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    70   0.15000  1.0 3.0
   61    65   -68    71   0.56750  1.0 1.0
   61    65   -68    71  -0.07550 -1.0 2.0
   61    65   -68    71   0.20000  1.0 3.0
   61    73    75    76   0.15000  1.0 3.0
   61    73    75    77   0.15000  1.0 3.0
   61    73    75    78   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    73    71   0.15000  1.0 3.0
   62    61    73    74   0.13050  1.0 3.0
   62    61    73    75   0.15000  1.0 3.0
   65    61   -73    71   0.47100  1.0 1.0
   65    61    73    74   0.17350  1.0 3.0
   65    61    73    75   0.47100  1.0 1.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    56   0.56750  1.0 1.0
   65    68    71    56  -0.07550 -1.0 2.0
   65    68    71    56   0.20000  1.0 3.0
   65    68   -71    73   1.36600  1.0 1.0
   65    68   -71    73  -0.11450 -1.0 2.0
   65    68   -71    73   0.24250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    56    49   0.56750  1.0 1.0
   68    71    56    49  -0.07550 -1.0 2.0
   68    71    56    49   0.20000  1.0 3.0
   68    71    56    57   0.15000  1.0 3.0
   68    71    56    58   0.15000  1.0 3.0
   68    71   -73    61   0.47100  1.0 1.0
   68    71    73    74   0.17350  1.0 3.0
   68    71    73    75   0.47100  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    56   0.15000  1.0 3.0
   69    68    71    73   0.19200  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    56   0.15000  1.0 3.0
   70    68    71    73   0.19200  1.0 3.0
   71    73    75    76   0.15000  1.0 3.0
   71    73    75    77   0.15000  1.0 3.0
   71    73    75    78   0.15000  1.0 3.0
   72    71    56    49   0.15000  1.0 3.0
   72    71    56    57   0.15000  1.0 3.0
   72    71    56    58   0.15000  1.0 3.0
   72    71    73    61   0.15000  1.0 3.0
   72    71    73    74   0.13050  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    61   0.56750  1.0 1.0
   56    49    53    61  -0.07550 -1.0 2.0
   56    49    53    61   0.20000  1.0 3.0
   56    71   -73    61   0.47100  1.0 1.0
   56    71    73    74   0.17350  1.0 3.0
   56    71    73    75   0.47100  1.0 1.0
   73    61    65    66   0.19200  1.0 3.0
   73    61    65    67   0.19200  1.0 3.0
   73    61   -65    68   1.36600  1.0 1.0
   73    61   -65    68  -0.11450 -1.0 2.0
   73    61   -65    68   0.24250  1.0 3.0
   73    71   -56    49   1.36600  1.0 1.0
   73    71   -56    49  -0.11450 -1.0 2.0
   73    71   -56    49   0.24250  1.0 3.0
   73    71    56    57   0.19200  1.0 3.0
   73    71    56    58   0.19200  1.0 3.0
   74    73    75    76   0.13050  1.0 3.0
   74    73    75    77   0.13050  1.0 3.0
   74    73    75    78   0.13050  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
   44    63    41    39   4.00000 -1.0 2.0
   47    45    44    41   1.10000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   59    52    51    47   1.10000 -1.0 2.0
   63    60    59    51   1.10000 -1.0 2.0
   59    64    63    41   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
END
