* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    153    245     449
    1     0 S   NP   _N1_     1    28.81142    95.53964   -19.74195
    2     1 S   H    _HN1     2     1.02793    75.81574   -88.24815
    3     1 S   H    _H1_     3     1.02953    92.76838    19.83757
    4     1 S   H    _H2_     4     1.02849    41.82987   132.74487
    5     1 S   CT   _CA1     5     1.50082   150.05377   161.92018
    6     5 S   HC   _HA1     6     1.09572   105.33537    39.31033
    7     5 S   CO3  _C1_     7     1.53950   112.00854   -81.00745
    8     7 S   O2Z  _O11     8     1.26427   115.15150   -53.90215
    9     7 S   O2Z  _O12     9     1.26227   114.90476   125.40391
   10     5 S   CT   _CB1    10     1.53102   107.41709   157.15452
   11    10 S   HC   HB11    11     1.09822   109.76728   -49.92212
   12    10 S   HC   HB12    12     1.09807   110.21271    66.54593
   13    10 S   CT   _CG1    13     1.53053   112.54338  -170.90446
   14    13 S   HC   HG11    14     1.09559   110.54218   -52.48572
   15    13 S   HC   HG12    15     1.09607   110.16072    66.53491
   16    13 S   C    _CD1    16     1.51801   111.87513  -173.13102
   17    16 S   O    _OE1    17     1.22744   123.10829   -15.43295
   18    16 S   N    _N2_    18     1.38574   111.78764   165.07165
   19    18 S   H    _HN2    19     1.01564   119.07941     3.02905
   20    18 S   CT1  _CA2    20     1.46187   123.36368  -175.67537
   21    20 S   HC   _HA2    21     1.09721   109.46500   -10.12318
   22    20 S   C    _C2_    22     1.53340   108.43612  -126.04741
   23    22 S   O    _O2_    23     1.23015   122.23253  -145.06659
   24    20 S   CT   _CB2    32     1.53444   111.13906   111.76576
   25    24 S   HC   HB21    33     1.09529   109.83667    57.93055
   26    24 S   HC   HB22    34     1.09528   110.56397   175.98897
   27    22 S   N    _N3_    24     1.38508   113.38357    42.23777
   28    27 S   H    _HN3    25     1.01524   118.92794    -0.43115
   29    24 S   S    _SG2    35     1.83010   111.78939   -64.89867
   30    27 S   CT   _CA3    26     1.45440   123.37200   175.22582
   31    30 S   HC   HA31    27     1.09528   109.16342    25.98108
   32    30 S   HC   HA32    28     1.09495   107.14590   142.95940
   33    29 S   CT   _C20    36     1.86499    99.97410   140.73064
   34    33 S   HC   _H6_    37     1.09724   106.81418    37.16977
   35    30 S   CO3  _C3_    29     1.52921   113.13889   -97.45052
   36    35 S   O2Z  _O31    30     1.26399   115.40389   -45.05370
   37    35 S   O2Z  _O32    31     1.26355   114.98644   135.89010
   38    33 S   CT   _C19    38     1.55336   107.55804   -79.26046
   39    38 S   HC   _H5_    39     1.09619   109.74991    43.05219
   40    38 S   CT   _C18    40     1.53651   114.86734   -79.60902
   41    40 S   HC   _H4_    41     1.09688   109.18814  -169.49865
   42    38 S   OH   _O36    77     1.43005   108.59213   157.53438
   43    42 S   HO   _H21    78     0.97277   107.67560  -175.82430
   44    40 S   CT   _C17    42     1.52322   112.24961   -48.98530
   45    44 S   HC   _H19    43     1.09625   108.37170   -71.08102
   46    44 S   HC   _H20    44     1.09791   109.76658   173.23842
   47    40 S   OH   _O37    75     1.42259   110.25732    73.08247
   48    47 S   HO   _H22    76     0.97551   107.37710   166.32371
   49    44 S   CT   _C16    45     1.54151   112.06504    52.72775
   50    49 S   HC   _H3_    46     1.09913   107.59626    70.42428
   51    33 S   CT   _C12    47     1.56755   111.74317   154.37827
   52    49 S   NT   _N4_    58     1.48119   109.67799  -168.72120
   53    51 S   CA   _C7_    48     1.55335   115.26515   -47.83206
   54    52 S   CT   _C14    59     1.48499   105.24335    80.38589
   55    54 S   HC   _H15    60     1.09624   109.29657   -98.10134
   56    54 S   HC   _H16    61     1.09651   112.84508   143.81212
   57    53 S   CA   _C8_    49     1.40166   122.28743   -32.49196
   58    57 S   HA   _H10    50     1.08406   122.09687     0.48416
   59    51 S   CT   _C13    62     1.54775   115.00269  -168.35321
   60    59 S   HC   _H13    63     1.09642   113.25680    86.91730
   61    59 S   HC   _H14    64     1.09209   112.78017   -34.46815
   62    57 S   CA   _C9_    51     1.37989   118.36954  -179.43076
   63    62 S   CA   _C10    52     1.37907   122.65152     1.36716
   64    63 S   CA   _C5_    53     1.38451   121.27711     1.16348
   65    63 S   OS   _O34    70     1.36300   111.00631  -179.89165
   66    53 S   CA   _C6_    54     1.42726   118.55751   152.51004
   67    64 S   OS   _O33    65     1.36658   127.16329   178.78067
   68    65 S   CO   _C11    71     1.43810   102.01920     0.11703
   69    68 S   HC   _H11    72     1.09598   108.70679  -121.38898
   70    68 S   HC   _H12    73     1.09605   108.73136   120.47780
   71    66 S   CT   _C15    55     1.52131   118.70025     1.52598
   72    71 S   HC   _H17    56     1.09729   109.87883   132.72181
   73    71 S   HC   _H18    57     1.09767   108.39322  -111.08012
   74    67 S   CT   _C4_    66     1.41999   118.41233     2.82799
   75    74 S   HC   _H7_    67     1.09449   107.62549   178.09002
   76    74 S   HC   _H8_    68     1.09462   111.28898    60.68527
   77    74 S   HC   _H9_    69     1.09447   111.14020   -64.60440
   78    62 S   OS   _O35    74     1.36291   124.43076  -178.84580
  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  10   5   4   3
  20   8   2   1   1  14   7  12   7   4   1  12   6   5   2   1
  15   6  14  12  15   9   5   4  10   4   4   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    51    53    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    53    57    66    52    54    59    60    61    47    42    43  
   38    39    40    49    51    53    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    49    51    53    59    47    48    42    43  
   40    41    44    51    47    42    43  
   41    44    45    46    49    50    51    52    47    48    42    43  
   44    45    46    49    47    48    42  
   43    44    47    51  
    0  
   45    46    49    50    51    53    71    52    54    59    47    48  
   46    49    50    51    52    47  
   49    50    51    52    47  
   48    49  
    0  
   50    51    53    57    66    71    72    73    52    54    55    56    59    60    61  
   51    53    71    52    54    59  
   53    57    58    62    64    66    71    52    54    55    56    59    60    61  
   54    55    56    59    60    61    53    64    66    71    72    73  
   57    58    62    63    64    66    71    72    73    54    59    60    61    67    78  
   55    56    59    60    61    66    71    72    73  
   56    59    60    61    71  
   59    60    61    71  
   58    62    63    64    66    71    59    65    68    78  
   62    63    66    78  
   60    61    66    71  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   382.000  1.448
   51    53   317.000  1.510
   51    59   268.000  1.529
   53    57   469.000  1.400
   53    66   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    52   382.000  1.448
   52    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   47    48   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    49    58.35000  112.70000
   33    51    53    70.00000  112.17500
   33    51    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    58.35000  112.70000
   44    49    52    56.20000  109.47000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    51    53    70.00000  112.17500
   49    51    59    58.35000  112.70000
   49    52    71    51.80000  107.20000
   49    52    54    51.80000  107.20000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    57    70.00000  120.00000
   51    53    66    70.00000  120.00000
   51    59    54    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    66    64    63.00000  120.00000
   53    66    71    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    78    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    53    57    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    52    75.00000  112.33000
   71    52    54    51.80000  107.20000
   73    71    72    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    56.20000  109.47000
   52    71    72    35.00000  109.50000
   52    71    73    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    59    56.20000  109.47000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    51    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    53   0.56750  1.0 1.0
   29    33    51    53  -0.07550 -1.0 2.0
   29    33    51    53   0.20000  1.0 3.0
   29    33    51    59   0.44750  1.0 1.0
   29    33    51    59  -0.17800 -1.0 2.0
   29    33    51    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.86500  1.0 1.0
   33    38    40    47  -0.17500 -1.0 2.0
   33    38    40    47   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    53    57   0.04150 -1.0 2.0
   33    51    53    66   0.04150 -1.0 2.0
   33    51    59    54   0.56750  1.0 1.0
   33    51    59    54  -0.07550 -1.0 2.0
   33    51    59    54   0.20000  1.0 3.0
   33    51    59    60   0.15000  1.0 3.0
   33    51    59    61   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    49   0.15000  1.0 3.0
   34    33    51    53   0.43200  1.0 3.0
   34    33    51    59   0.15000  1.0 3.0
   38    33    51    49   0.56750  1.0 1.0
   38    33    51    49  -0.07550 -1.0 2.0
   38    33    51    49   0.20000  1.0 3.0
   38    33    51    53  -0.03700  1.0 1.0
   38    33    51    53   0.37200 -1.0 2.0
   38    33    51    53  -0.47300  1.0 3.0
   38    33    51    59   0.56750  1.0 1.0
   38    33    51    59  -0.07550 -1.0 2.0
   38    33    51    59   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    47    48  -0.11600  1.0 1.0
   38    40    47    48  -0.09450 -1.0 2.0
   38    40    47    48   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.56750  1.0 1.0
   40    44    49    51  -0.07550 -1.0 2.0
   40    44    49    51   0.20000  1.0 3.0
   40    44    49    52   1.53400  1.0 1.0
   40    44    49    52  -0.09950 -1.0 2.0
   40    44    49    52   0.05700  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    49   -51    33   0.56750  1.0 1.0
   44    49   -51    33  -0.07550 -1.0 2.0
   44    49   -51    33   0.20000  1.0 3.0
   44    49    51    53  -0.03700  1.0 1.0
   44    49    51    53   0.37200 -1.0 2.0
   44    49    51    53  -0.47300  1.0 3.0
   44    49    51    59   0.56750  1.0 1.0
   44    49    51    59  -0.07550 -1.0 2.0
   44    49    51    59   0.20000  1.0 3.0
   44    49    52    71   0.23450  1.0 1.0
   44    49    52    71   0.02050 -1.0 2.0
   44    49    52    71   0.25250  1.0 3.0
   44    49    52    54   0.23450  1.0 1.0
   44    49    52    54   0.02050 -1.0 2.0
   44    49    52    54   0.25250  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  1.0 3.0
   49    51    53    57   0.04150 -1.0 2.0
   49    51    53    66   0.04150 -1.0 2.0
   49    51   -59    54   0.56750  1.0 1.0
   49    51   -59    54  -0.07550 -1.0 2.0
   49    51   -59    54   0.20000  1.0 3.0
   49    51    59    60   0.15000  1.0 3.0
   49    51    59    61   0.15000  1.0 3.0
   49    52    54    55   0.28000  1.0 3.0
   49    52    54    56   0.28000  1.0 3.0
   49    52   -54    59   0.23450  1.0 1.0
   49    52   -54    59   0.02050 -1.0 2.0
   49    52   -54    59   0.25250  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    49    51    59   0.15000  1.0 3.0
   50    49    52    71   0.28000  1.0 3.0
   50    49    52    54   0.28000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    49    52    71   0.23450  1.0 1.0
   51    49    52    71   0.02050 -1.0 2.0
   51    49    52    71   0.25250  1.0 3.0
   51    49   -52    54   0.23450  1.0 1.0
   51    49   -52    54   0.02050 -1.0 2.0
   51    49   -52    54   0.25250  1.0 3.0
   51    53    57    58   3.62500 -1.0 2.0
   51    53    57    62   3.62500 -1.0 2.0
   51    53    66    64   3.62500 -1.0 2.0
   51    53   -66    71   3.62500 -1.0 2.0
   53    51    59    54  -0.03700  1.0 1.0
   53    51    59    54   0.37200 -1.0 2.0
   53    51    59    54  -0.47300  1.0 3.0
   53    51    59    60   0.43200  1.0 3.0
   53    51    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    78   3.62500 -1.0 2.0
   53    66    71    72   0.00000  1.0 1.0
   53    66    71    73   0.00000  1.0 1.0
   53    66    71    52   0.18550 -1.0 2.0
   53    66    71    52   0.14000  1.0 3.0
   57    53    66    64   3.62500 -1.0 2.0
   57    53    66    71   3.62500 -1.0 2.0
   57    62   -63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    78    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    53   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    52   0.18550 -1.0 2.0
   64    66    71    52   0.14000  1.0 3.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    53    57    58   3.62500 -1.0 2.0
   66    53   -57    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -52    49   0.82600  1.0 1.0
   66    71   -52    49  -0.32100 -1.0 2.0
   66    71   -52    49   1.02000  1.0 3.0
   66    71    52    54   0.82600  1.0 1.0
   66    71    52    54  -0.32100 -1.0 2.0
   66    71    52    54   1.02000  1.0 3.0
   71    52    54    55   0.28000  1.0 3.0
   71    52    54    56   0.28000  1.0 3.0
   71    52    54    59   0.23450  1.0 1.0
   71    52    54    59   0.02050 -1.0 2.0
   71    52    54    59   0.25250  1.0 3.0
   72    71    52    49   0.28000  1.0 3.0
   72    71    52    54   0.28000  1.0 3.0
   73    71    52    49   0.28000  1.0 3.0
   73    71    52    54   0.28000  1.0 3.0
   52    49    51    33   1.53400  1.0 1.0
   52    49    51    33  -0.09950 -1.0 2.0
   52    49    51    33   0.05700  1.0 3.0
   52    49   -51    53   0.83750  1.0 1.0
   52    49   -51    53   0.32200 -1.0 2.0
   52    49   -51    53   0.70600  1.0 3.0
   52    49   -51    59   1.53400  1.0 1.0
   52    49   -51    59  -0.09950 -1.0 2.0
   52    49   -51    59   0.05700  1.0 3.0
   52    54   -59    51   1.53400  1.0 1.0
   52    54   -59    51  -0.09950 -1.0 2.0
   52    54   -59    51   0.05700  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   55    54    59    51   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    51   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    51    53    57   0.04150 -1.0 2.0
   59    51    53    66   0.04150 -1.0 2.0
   67    64    66    53   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    49   0.86500  1.0 1.0
   47    40    44    49  -0.17500 -1.0 2.0
   47    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   3.75450  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
   36    30    35    37  10.50000 -1.0 2.0
   57    66    53    51   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    78    62    57   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    53   4.00000 -1.0 2.0
END
