* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    150    232     434
    1     0 S   NP   _N1_     1    28.97787    93.22870   -24.24213
    2     1 S   H    _HN1     2     1.02783   107.95638   -88.96591
    3     1 S   H    _H1_     3     1.02952    89.80372    20.27010
    4     1 S   H    _H2_     4     1.02832    18.71323   178.23941
    5     1 S   CT   _CA1     5     1.50112   125.23028   135.40546
    6     5 S   HC   _HA1     6     1.09568   105.24935    72.82026
    7     5 S   CO3  _C1_     7     1.53813   112.29143   -47.51557
    8     7 S   O2Z  _O11     8     1.26374   115.00644   -45.58006
    9     7 S   O2Z  _O12     9     1.26227   114.93716   133.48205
   10     5 S   CT   _CB1    10     1.53063   107.42036  -169.16704
   11    10 S   HC   HB11    11     1.09828   109.50296   -49.34327
   12    10 S   HC   HB12    12     1.09826   110.38415    67.27570
   13    10 S   CT   _CG1    13     1.53003   112.59401  -170.33200
   14    13 S   HC   HG11    14     1.09597   110.51137   -62.10253
   15    13 S   HC   HG12    15     1.09647   109.97861    57.18431
   16    13 S   C    _CD1    16     1.51777   112.15831   177.66150
   17    16 S   O    _OE1    17     1.22746   123.23432     0.26319
   18    16 S   N    _N2_    18     1.38648   111.70337  -180.00000
   19    18 S   H    _HN2    19     1.01583   119.10654     2.43462
   20    18 S   CT1  _CA2    20     1.46232   123.24084  -178.27558
   21    20 S   HC   _HA2    21     1.09739   109.24403    -3.21845
   22    20 S   C    _C2_    22     1.53387   108.94676  -118.88790
   23    22 S   O    _O2_    23     1.23052   122.26884  -149.77415
   24    20 S   CT   _CB2    32     1.53474   111.50362   118.36607
   25    24 S   HC   HB21    33     1.09474   109.76046    60.05633
   26    24 S   HC   HB22    34     1.09517   110.15021   178.95078
   27    22 S   N    _N3_    24     1.38335   113.63495    37.78735
   28    27 S   H    _HN3    25     1.01623   119.48781    -3.72998
   29    24 S   S    _SG2    35     1.82785   111.10614   -61.10967
   30    27 S   CT   _CA3    26     1.45287   123.15397   176.91143
   31    30 S   HC   HA31    27     1.09552   107.52862   -63.75725
   32    30 S   HC   HA32    28     1.09559   107.94368    52.65018
   33    29 S   CT   _C20    36     1.84606   100.48995  -179.42768
   34    33 S   HC   _H4_    37     1.09908   105.34907    40.62275
   35    30 S   CO3  _C3_    29     1.52939   114.13710   174.62936
   36    35 S   O2Z  _O31    30     1.26367   116.06208    -0.82187
   37    35 S   O2Z  _O32    31     1.26431   114.41170   179.24359
   38    33 S   CM   _C19    38     1.51226   110.65760   -73.08343
   39    38 S   HC   _H17    39     1.08779   118.68089    27.96518
   40    38 S   CMA  _C18    40     1.34959   123.29161  -154.67026
   41    40 S   OM   _O33    41     1.25937   130.85986  -177.82894
   42    40 S   CM   _C17    42     1.45996   117.80250     0.84465
   43    42 S   HC   _H16    43     1.08901   119.23188  -167.24287
   44    42 S   CM   _C16    44     1.34274   122.64657    14.15487
   45    44 S   HC   _H15    45     1.08681   118.33349   178.01052
   46    33 S   CT   _C15    46     1.57209   113.54234   157.89331
   47    46 S   CA   _C11    47     1.52682   118.03856    34.76603
   48    46 S   CT   _C14    73     1.57914   108.61205   -77.42107
   49    48 S   HC   _H13    74     1.09939   110.42525    37.62767
   50    48 S   HC   _H14    75     1.09679   112.32440   -81.29955
   51    47 S   CR3  _C12    48     1.40001   109.67396  -133.22319
   52    51 S   CA   _C7_    49     1.38713   123.68122   173.96109
   53    52 S   CA   _C8_    50     1.39240   117.55150     2.32700
   54    53 S   HA   _H12    51     1.08687   120.22201  -178.34542
   55    52 S   CT   _C6_    64     1.50317   118.58717  -171.70637
   56    55 S   HC   _H10    65     1.09747   107.68867   107.74172
   57    55 S   HC   _H11    66     1.09602   109.85077  -134.98480
   58    53 S   CA   _C9_    52     1.40720   119.90707    -0.14265
   59    55 S   CT   _C5_    67     1.54792   113.54742   -12.47610
   60    59 S   HC   _H8_    68     1.09717   107.85995   162.04856
   61    59 S   HC   _H9_    69     1.09910   109.07904   -82.30720
   62    47 S   CA   _C10    53     1.38917   131.79057    46.07554
   63    58 S   OS   _O35    59     1.37364   116.83945  -179.65395
   64    59 S   NT   _N4_    70     1.48189   112.70919    40.18555
   65    62 S   OS   _O34    54     1.36570   119.58635     3.30239
   66    63 S   CT   _C22    60     1.42898   110.56739   103.47280
   67    66 S   HC   _H21    61     1.09397   107.64717  -170.31659
   68    66 S   HC   _H22    62     1.09455   111.28738    71.63092
   69    66 S   HC   _H23    63     1.09598   111.52969   -52.04824
   70    51 S   CT   _C13    71     1.49831   112.73184    -6.00045
   71    70 S   HC   _H3_    72     1.09938   108.29600   -88.81289
   72    64 S   CT   _C4_    76     1.46223   110.43366   175.04390
   73    72 S   HC   _H5_    77     1.09514   110.85779  -177.30739
   74    72 S   HC   _H6_    78     1.09600   112.27615    61.27536
   75    72 S   HC   _H7_    79     1.09573   110.42667   -59.64384
   76    65 S   CT   _C21    55     1.42752   111.24144   110.62259
   77    76 S   HC   _H18    56     1.09399   107.78833  -165.84333
   78    76 S   HC   _H19    57     1.09400   111.12147    76.46476
   79    76 S   HC   _H20    58     1.09593   111.79790   -47.24331
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  10
   5   4  14  14  11   4   9   5   4   8   9   4   3   8   5   6
   4   3   2   1   1   5   1   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    70    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    70    48    49    50  
   46    47    48  
   47    51    52    58    62    65    64    70    71    48    49    50  
   51    52    53    58    62    65    76    63    55    64    70    71    48    49    50  
   49    50    72    51    52    59    62    64    70    71  
   50    51    64    70    71  
   51    64    70    71  
   52    53    54    58    62    65    55    56    57    59    64    70    71    72  
   53    54    58    62    63    55    56    57    59    60    61    64    70    71  
   54    58    62    65    63    66    55    56    57    59    70  
   58    62    63    55  
   56    57    59    60    61    64    70    72    58  
   57    59    60    61    64  
   59    60    61    64  
   62    65    76    63    66    67    68    69  
   60    61    64    70    71    72    73    74    75  
   61    64    70    72  
   64    70    72  
   65    76    77    78    79    63    66    70  
   66    67    68    69    65  
   70    71    72    73    74    75  
   76    77    78    79  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    70   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    63   450.000  1.364
   62    65   450.000  1.364
   65    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   382.000  1.448
   64    70   382.000  1.448
   64    72   382.000  1.448
   70    71   340.000  1.090
   70    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    70    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    70    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    65    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    70    64    75.00000  112.33000
   51    70    71    35.00000  109.50000
   51    70    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    63    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    65    70.00000  120.00000
   58    63    66    75.00000  111.00000
   62    47    51    70.00000  112.88000
   62    65    76    75.00000  111.00000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   63    58    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    56.20000  109.47000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    64    70    51.80000  107.20000
   59    64    72    51.80000  107.20000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    48    56.20000  109.47000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   70    51    52    70.00000  120.00000
   70    48    49    37.50000  110.70000
   70    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    70    71    37.50000  110.70000
   50    48    49    33.00000  107.80000
   72    64    70    51.80000  107.20000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    70   0.56750  1.0 1.0
   33    46    48    70  -0.07550 -1.0 2.0
   33    46    48    70   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    70   0.34400  1.0 1.0
   44    46    48    70   0.09450 -1.0 2.0
   44    46    48    70   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    70   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    65   3.62500 -1.0 2.0
   47    46   -48    70  -0.03700  1.0 1.0
   47    46   -48    70   0.37200 -1.0 2.0
   47    46   -48    70  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    70    64   0.18550 -1.0 2.0
   47    51    70    64   0.14000  1.0 3.0
   47    51    70    71   0.00000  1.0 1.0
   47    51   -70    48   0.04150 -1.0 2.0
   47    62    65    76   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    65   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    70   -48    46  -0.03700  1.0 1.0
   51    70   -48    46   0.37200 -1.0 2.0
   51    70   -48    46  -0.47300  1.0 3.0
   51    70    48    49   0.43200  1.0 3.0
   51    70    48    50   0.43200  1.0 3.0
   52    51    70    64   0.18550 -1.0 2.0
   52    51    70    64   0.14000  1.0 3.0
   52    51    70    71   0.00000  1.0 1.0
   52    51    70    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    63   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    64   0.83750  1.0 1.0
   52    55   -59    64   0.32200 -1.0 2.0
   52    55   -59    64   0.70600  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    65   3.62500 -1.0 2.0
   53    58    63    66   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    62    65    76   1.63200 -1.0 2.0
   58    63    66    67   0.08050  1.0 3.0
   58    63    66    68   0.08050  1.0 3.0
   58    63    66    69   0.08050  1.0 3.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    70   3.62500 -1.0 2.0
   62    58    63    66   1.63200 -1.0 2.0
   62    65    76    77   0.08050  1.0 3.0
   62    65    76    78   0.08050  1.0 3.0
   62    65    76    79   0.08050  1.0 3.0
   63    58    62    47   3.62500 -1.0 2.0
   63    58    62    65   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    64    70   0.23450  1.0 1.0
   55    59    64    70   0.02050 -1.0 2.0
   55    59    64    70   0.25250  1.0 3.0
   55    59    64    72   0.58650  1.0 1.0
   55    59    64    72   0.12600 -1.0 2.0
   55    59    64    72   0.33350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    64   0.15000  1.0 3.0
   59    64   -70    51   0.82600  1.0 1.0
   59    64   -70    51  -0.32100 -1.0 2.0
   59    64   -70    51   1.02000  1.0 3.0
   59    64    70    71   0.28000  1.0 3.0
   59    64    70    48   0.23450  1.0 1.0
   59    64    70    48   0.02050 -1.0 2.0
   59    64    70    48   0.25250  1.0 3.0
   59    64    72    73   0.28000  1.0 3.0
   59    64    72    74   0.28000  1.0 3.0
   59    64    72    75   0.28000  1.0 3.0
   60    59    64    70   0.28000  1.0 3.0
   60    59    64    72   0.28000  1.0 3.0
   61    59    64    70   0.28000  1.0 3.0
   61    59    64    72   0.28000  1.0 3.0
   64    70    48    46   1.53400  1.0 1.0
   64    70    48    46  -0.09950 -1.0 2.0
   64    70    48    46   0.05700  1.0 3.0
   64    70    48    49   0.15000  1.0 3.0
   64    70    48    50   0.15000  1.0 3.0
   70    51    52    53   3.62500 -1.0 2.0
   70    51   -52    55   3.62500 -1.0 2.0
   70    64    72    73   0.28000  1.0 3.0
   70    64    72    74   0.28000  1.0 3.0
   70    64    72    75   0.28000  1.0 3.0
   71    70    48    46   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   71    70    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   72    64    70    51   0.82600  1.0 1.0
   72    64    70    51  -0.32100 -1.0 2.0
   72    64    70    51   1.02000  1.0 3.0
   72    64    70    71   0.28000  1.0 3.0
   72    64    70    48   0.58650  1.0 1.0
   72    64    70    48   0.12600 -1.0 2.0
   72    64    70    48   0.33350  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    70    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    63    58    53   4.00000 -1.0 2.0
   58    65    62    47   4.00000 -1.0 2.0
END
