* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    234     440
    1     0 S   NP   _N1_     1    28.62614    91.60046   -23.51806
    2     1 S   H    _HN1     2     1.02797    87.75674  -128.27149
    3     1 S   H    _H1_     3     1.02941   103.72089   -20.07708
    4     1 S   H    _H2_     4     1.02857    23.16261    81.68162
    5     1 S   CT   _CA1     5     1.50079   131.14121   113.98886
    6     5 S   HC   _HA1     6     1.09586   105.26047    46.73946
    7     5 S   CO3  _C1_     7     1.53880   111.99966   -73.31190
    8     7 S   O2Z  _O11     8     1.26403   115.23810   -56.40389
    9     7 S   O2Z  _O12     9     1.26213   114.85725   122.67299
   10     5 S   CT   _CB1    10     1.53097   107.40848   164.33165
   11    10 S   HC   HB11    11     1.09827   109.62394   -51.66663
   12    10 S   HC   HB12    12     1.09734   110.23626    64.68133
   13    10 S   CT   _CG1    13     1.53038   112.48565  -172.56851
   14    13 S   HC   HG11    14     1.09616   110.57422   -58.69756
   15    13 S   HC   HG12    15     1.09638   109.85220    60.43057
   16    13 S   C    _CD1    16     1.51809   112.36756  -178.65666
   17    16 S   O    _OE1    17     1.22761   123.30386     3.90345
   18    16 S   N    _N2_    18     1.38554   111.77741  -177.05144
   19    18 S   H    _HN2    19     1.01554   119.26482     5.47654
   20    18 S   CT1  _CA2    20     1.45754   122.73845  -177.41290
   21    20 S   HC   _HA2    21     1.09581   108.28423    28.23165
   22    20 S   C    _C2_    22     1.52933   107.61843   -88.46028
   23    22 S   O    _O2_    23     1.22958   123.11638   -25.20581
   24    20 S   CT   _CB2    32     1.53413   112.47892   151.32480
   25    24 S   HC   HB21    33     1.09662   109.64314    65.81920
   26    24 S   HC   HB22    34     1.09563   111.09893  -176.79710
   27    22 S   N    _N3_    24     1.38505   112.46026   157.46365
   28    27 S   H    _HN3    25     1.01651   120.36388    -2.35218
   29    24 S   S    _SG2    35     1.82555   113.91127   -53.33587
   30    27 S   CT   _CA3    26     1.45355   122.53035   178.60380
   31    30 S   HC   HA31    27     1.09565   107.83561   -55.34415
   32    30 S   HC   HA32    28     1.09560   107.60520    61.01637
   33    29 S   CT   _C20    36     1.82310   100.18698   -71.86574
   34    33 S   HC   _H21    37     1.09447   107.62325   -83.18131
   35    33 S   HC   _H22    38     1.09163   111.06455    33.31917
   36    30 S   CO3  _C3_    29     1.52900   114.25830  -177.26641
   37    36 S   O2Z  _O31    30     1.26346   116.03214    -0.41117
   38    36 S   O2Z  _O32    31     1.26426   114.42768   179.55765
   39    33 S   CM   _C19    39     1.50208   109.70533   154.82212
   40    39 S   CMA  _C18    40     1.34941   127.47992   108.51013
   41    40 S   OM   _O38    41     1.26284   128.09490     1.35667
   42    40 S   OS   _O37    42     1.41898   109.53179  -179.22393
   43    42 S   CT   _C11    43     1.44439   106.37960    16.05243
   44    43 S   HC   _H5_    44     1.10153   105.50232    87.46020
   45    39 S   CT   _C10    45     1.50388   120.94810   -72.58737
   46    45 S   HC   _H4_    46     1.09639   109.95312    49.59518
   47    43 S   CT   _C12    62     1.54297   110.31393  -155.30535
   48    45 S   CT   _C9_    47     1.53871   112.09764   -71.64139
   49    48 S   HC   _H13    48     1.09773   108.40669    46.82836
   50    48 S   HC   _H14    49     1.09233   112.15084   -68.40259
   51    47 S   CT   _C17    63     1.54640   112.55402    29.30298
   52    51 S   HC   _H18    64     1.08998   112.87888    52.26760
   53    51 S   HC   _H19    65     1.09797   111.11651   -66.98616
   54    51 S   HC   _H20    66     1.09543   112.25916   175.03280
   55    48 S   CT   _C8_    50     1.53233   114.09767   164.01296
   56    55 S   HC   _H11    51     1.09759   108.01504  -162.48562
   57    55 S   HC   _H12    52     1.09641   107.99293   -49.47724
   58    55 S   CT   _C7_    53     1.54646   117.73875    73.66623
   59    58 S   HC   _H3_    54     1.10204   103.48214  -166.40144
   60    58 S   CT   _C13    55     1.54663   112.60173   -52.12767
   61    58 S   CT   _C6_    69     1.53717   111.59240    81.45732
   62    61 S   HC   _H9_    70     1.09188   111.73816   -50.34199
   63    61 S   HC   _H10    71     1.09487   110.90848  -173.49320
   64    60 S   CM   _C14    56     1.50726   115.21129  -169.88281
   65    64 S   HC   _H15    57     1.08235   122.79702    34.79123
   66    60 S   OH   _O36    67     1.44482   106.61823   -55.02644
   67    66 S   HO   _H17    68     0.97639   108.42036   -56.00564
   68    61 S   OS   _O34    72     1.44345   108.52824    68.06165
   69    64 S   CM   _C15    58     1.33519   113.90412  -152.23699
   70    69 S   HC   _H16    59     1.07488   129.04011  -174.54914
   71    68 S   CO4  _C5_    73     1.36268   115.59952  -180.00000
   72    71 S   O    _O33    74     1.22330   126.24136    -0.28939
   73    69 S   CO4  _C16    60     1.47519   105.13227     4.82759
   74    73 S   O    _O35    61     1.22195   122.45885  -168.66511
   75    71 S   CT   _C4_    75     1.49829   109.58632   179.72876
   76    75 S   HC   _H6_    76     1.09292   109.82860   -60.78192
   77    75 S   HC   _H7_    77     1.09379   109.36109  -179.81655
   78    75 S   HC   _H8_    78     1.09289   109.83234    61.12530
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  12   5  18   9
   5   4  10   4   3   2  11   5   4  13   7  12   8   3   2   7
   4   3   1   6   3   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    55    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    60    73    47    51  
   44    45    46    48    49    50    55    58    60    64    69    73    74    47    51    52    53    54    66  
   45    46    48    60    73    47    51  
   46    48    49    50    55    56    57    58    60    73    47    51  
   48    49    50    55    47  
   51    52    53    54    66    67    61    48    55    58    59    60    64    65    69    70    73    74  
   49    50    55    56    57    58    59    60    61  
   50    55    56    57    58  
   55    56    57    58  
   52    53    54    66    58    60    64    69    73    74  
   53    54    60    73  
   54    60    73  
   60    73  
   56    57    58    59    60    64    66    61    62    63    68  
   57    58    59    60    61  
   58    59    60    61  
   59    60    64    65    69    73    66    67    61    62    63    68    71  
   60    64    66    61    62    63    68  
   64    65    69    70    73    74    66    67    61    62    63    68  
   62    63    68    71    72    75    64    66  
   63    68    71  
   68    71  
   65    69    70    73    74    66    67  
   69    70    73    66  
   67    69    73  
    0  
   71    72    75    76    77    78  
   70    73    74  
   73    74  
   72    75    76    77    78  
   75    76    77    78  
   74  
    0  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   268.000  1.529
   60    64   317.000  1.510
   60    47   268.000  1.529
   60    66   320.000  1.410
   64    65   340.000  1.080
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    73   320.000  1.462
   73    74   570.000  1.229
   73    47   317.000  1.522
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   66    67   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   320.000  1.410
   68    71   214.000  1.327
   71    72   570.000  1.229
   71    75   317.000  1.522
   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    60    58.35000  112.70000
   43    47    73    63.00000  111.10000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    55    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    64    70.00000  112.02700
   58    60    47    58.35000  112.70000
   58    60    66    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    68    50.00000  109.50000
   60    58    59    37.50000  110.70000
   60    64    65    35.00000  117.00000
   60    64    69    70.00000  124.00000
   60    47    73    63.00000  111.10000
   60    47    51    58.35000  112.70000
   60    66    67    55.00000  108.50000
   64    69    70    35.00000  120.00000
   64    69    73    65.00000  118.96000
   69    64    65    35.00000  120.00000
   69    73    74    80.00000  123.72100
   69    73    47    65.00000  118.62400
   73    69    70    40.00000  117.72500
   73    47    51    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    60    64    70.00000  112.02700
   47    73    74    80.00000  120.40000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   66    60    64    90.00000  110.39200
   66    60    47    50.00000  109.50000
   61    58    59    37.50000  110.70000
   61    58    60    58.35000  112.70000
   61    68    71    83.00000  116.90000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    71    72    83.00000  123.40000
   68    71    75    81.00000  111.40000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   75    71    72    80.00000  120.40000
   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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    55   0.34400  1.0 1.0
   39    45    48    55   0.09450 -1.0 2.0
   39    45    48    55   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    60   0.62750  1.0 1.0
   42    43    47    60  -0.30950 -1.0 2.0
   42    43    47    60   0.27300  1.0 3.0
   42    43    47    73  -0.09450  1.0 1.0
   42    43    47    73  -1.12950 -1.0 2.0
   42    43    47    73   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    55   0.56750  1.0 1.0
   43    45    48    55  -0.07550 -1.0 2.0
   43    45    48    55   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    47    73  -0.11250  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    60   0.56750  1.0 1.0
   45    43    47    60  -0.07550 -1.0 2.0
   45    43    47    60   0.20000  1.0 3.0
   45    43    47    73  -0.95700  1.0 1.0
   45    43    47    73  -0.18200 -1.0 2.0
   45    43    47    73   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    58   0.56750  1.0 1.0
   45    48    55    58  -0.07550 -1.0 2.0
   45    48    55    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.56750  1.0 1.0
   48    55    58    60  -0.07550 -1.0 2.0
   48    55    58    60   0.20000  1.0 3.0
   48    55    58    61   0.56750  1.0 1.0
   48    55    58    61  -0.07550 -1.0 2.0
   48    55    58    61   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    58   0.15000  1.0 3.0
   55    58    60    64   0.34400  1.0 1.0
   55    58    60    64   0.09450 -1.0 2.0
   55    58    60    64   0.11100  1.0 3.0
   55    58    60    47   0.56750  1.0 1.0
   55    58    60    47  -0.07550 -1.0 2.0
   55    58    60    47   0.20000  1.0 3.0
   55    58    60    66   0.86500  1.0 1.0
   55    58    60    66  -0.17500 -1.0 2.0
   55    58    60    66   0.20800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    68   0.62750  1.0 1.0
   55    58    61    68  -0.30950 -1.0 2.0
   55    58    61    68   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    60    64    65   0.00000  1.0 1.0
   58    60    64    69   0.09850  1.0 1.0
   58    60    64    69   0.15250 -1.0 2.0
   58    60    64    69  -0.50650  1.0 3.0
   58    60    47    43   0.56750  1.0 1.0
   58    60    47    43  -0.07550 -1.0 2.0
   58    60    47    43   0.20000  1.0 3.0
   58    60    47    73  -0.95700  1.0 1.0
   58    60    47    73  -0.18200 -1.0 2.0
   58    60    47    73   0.29450  1.0 3.0
   58    60    47    51   0.56750  1.0 1.0
   58    60    47    51  -0.07550 -1.0 2.0
   58    60    47    51   0.20000  1.0 3.0
   58    60    66    67  -0.11600  1.0 1.0
   58    60    66    67  -0.09450 -1.0 2.0
   58    60    66    67   0.21250  1.0 3.0
   58    61    68    71  -0.25900  1.0 1.0
   58    61    68    71  -0.47000 -1.0 2.0
   58    61    68    71   0.11750  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    47   0.15000  1.0 3.0
   59    58    60    66   0.23400  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    68   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    68   0.62750  1.0 1.0
   60    58    61    68  -0.30950 -1.0 2.0
   60    58    61    68   0.27300  1.0 3.0
   60    64    69    70   7.00000 -1.0 2.0
   60    64   -69    73   7.00000 -1.0 2.0
   60    47    51    52   0.15000  1.0 3.0
   60    47    51    53   0.15000  1.0 3.0
   60    47    51    54   0.15000  1.0 3.0
   64    60    47    43   0.34400  1.0 1.0
   64    60    47    43   0.09450 -1.0 2.0
   64    60    47    43   0.11100  1.0 3.0
   64    60   -47    73  -0.98800  1.0 1.0
   64    60   -47    73   0.48800 -1.0 2.0
   64    60   -47    73   0.76800  1.0 3.0
   64    60    47    51   0.34400  1.0 1.0
   64    60    47    51   0.09450 -1.0 2.0
   64    60    47    51   0.11100  1.0 3.0
   64    60    66    67  -0.07800  1.0 1.0
   64    60    66    67  -0.21500 -1.0 2.0
   64    60    66    67  -0.03150  1.0 3.0
   64    69    73    74   1.00000 -1.0 2.0
   64    69   -73    47  -0.33500  1.0 1.0
   64    69   -73    47   1.06600 -1.0 2.0
   64    69   -73    47  -0.14000  1.0 3.0
   65    64    69    70   7.00000 -1.0 2.0
   65    64    69    73   7.00000 -1.0 2.0
   69    73    47    43   0.65300  1.0 1.0
   69    73    47    43  -0.03850 -1.0 2.0
   69    73    47    43   0.33900  1.0 3.0
   69    73   -47    60   0.65300  1.0 1.0
   69    73   -47    60  -0.03850 -1.0 2.0
   69    73   -47    60   0.33900  1.0 3.0
   69    73    47    51   0.65300  1.0 1.0
   69    73    47    51  -0.03850 -1.0 2.0
   69    73    47    51   0.33900  1.0 3.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    47   0.04550  1.0 1.0
   70    69    73    47   0.83000 -1.0 2.0
   70    69    73    47  -0.04000  1.0 3.0
   73    47    51    52  -0.11250  1.0 3.0
   73    47    51    53  -0.11250  1.0 3.0
   73    47    51    54  -0.11250  1.0 3.0
   74    73    47    43   0.30150 -1.0 2.0
   74    73    47    60   0.30150 -1.0 2.0
   74    73    47    51   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    60    64    65   0.00000  1.0 1.0
   47    60   -64    69   0.09850  1.0 1.0
   47    60   -64    69   0.15250 -1.0 2.0
   47    60   -64    69  -0.50650  1.0 3.0
   47    60    66    67  -0.11600  1.0 1.0
   47    60    66    67  -0.09450 -1.0 2.0
   47    60    66    67   0.21250  1.0 3.0
   66    60    64    65   0.00000  1.0 1.0
   66    60    64    69   0.67800  1.0 1.0
   66    60    64    69   0.47050 -1.0 2.0
   66    60    64    69  -0.62500  1.0 3.0
   66    60    47    43   0.86500  1.0 1.0
   66    60    47    43  -0.17500 -1.0 2.0
   66    60    47    43   0.20800  1.0 3.0
   66    60    47    73  -0.09450  1.0 1.0
   66    60    47    73  -1.12950 -1.0 2.0
   66    60    47    73   0.54000  1.0 3.0
   66    60    47    51   0.86500  1.0 1.0
   66    60    47    51  -0.17500 -1.0 2.0
   66    60    47    51   0.20800  1.0 3.0
   61    58    60    64   0.34400  1.0 1.0
   61    58    60    64   0.09450 -1.0 2.0
   61    58    60    64   0.11100  1.0 3.0
   61    58    60    47   0.56750  1.0 1.0
   61    58    60    47  -0.07550 -1.0 2.0
   61    58    60    47   0.20000  1.0 3.0
   61    58    60    66   0.86500  1.0 1.0
   61    58    60    66  -0.17500 -1.0 2.0
   61    58    60    66   0.20800  1.0 3.0
   61    68    71    72   3.00000 -1.0 2.0
   61    68    71    75   1.63150  1.0 1.0
   61    68    71    75   2.92000 -1.0 2.0
   62    61    68    71   0.08050  1.0 3.0
   63    61    68    71   0.08050  1.0 3.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    78   0.00000  1.0 1.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   72    71    75    78   0.00000  1.0 1.0
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
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   60    65    64    69   1.10000 -1.0 2.0
   73    70    69    64   1.10000 -1.0 2.0
   69    47    73    74  10.50000 -1.0 2.0
   68    75    71    72  10.50000 -1.0 2.0
END
