* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    159    269     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   104.31333   -35.04876
    3     1 S   H    _H1_     3     1.02096    68.88934    69.76533
    4     1 S   H    _H2_     4     1.02122    44.14717  -137.25901
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.82509    98.11551  -178.14744
   34    33 S   HC   _H3_    37     1.09463   105.59377    34.19502
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C15    38     1.53833   111.36826   -80.00778
   39    38 S   HC   _H38    39     1.09575   109.02712    67.55649
   40    33 S   C4T  _C17    65     1.54811   111.46366   151.81949
   41    38 S   CT   _C10    40     1.53259   111.74736  -172.63897
   42    41 S   HC   _H32    41     1.09717   107.70209   179.55107
   43    41 S   HC   _H33    42     1.09519   110.96424   -63.21856
   44    40 S   C4T  _C13    66     1.56886   118.12094    58.28982
   45    44 S   HC   _H36    67     1.09884   112.37025    25.75632
   46    49 S   C4T  _C18    71     1.48483   113.03763   -66.05829
   47    38 S   OH   _O20    76     1.42692   111.84573   -49.76583
   48    47 S   HO   _H43    77     0.96962   106.48719   175.72451
   49    41 S   NTH0 _N17    43     1.45735   108.73402    61.49237
   50    44 S   C4T  _C8_    68     1.54424    89.39693   136.76855
   51    50 S   HC   _H28    69     1.09395   115.54265    98.90871
   52    50 S   HC   _H29    70     1.09653   113.44027  -139.58315
   53    44 S   CT   _C19    72     1.51043   121.61286  -100.73333
   54    53 S   HC   _H40    73     1.09431   110.63370   -50.51990
   55    53 S   HC   _H41    74     1.09463   110.58204  -170.48413
   56    53 S   HC   _H42    75     1.09408   110.65011    69.49244
   57    49 S   CT   _C9_    44     1.47268   114.71914   165.12809
   58    57 S   HC   _H30    45     1.09701   110.20423   -41.07119
   59    57 S   HC   _H31    46     1.09690   108.19042  -154.79302
   60    57 S   CT   _C5_    47     1.53423   116.26401    84.07143
   61    60 S   HC   _H22    48     1.09777   109.33743   -73.64987
   62    60 S   HC   _H23    49     1.09605   109.60807   169.60965
   63    60 S   CT   _C6_    50     1.53341   111.97234    47.90100
   64    63 S   HC   _H24    51     1.09599   110.35680    66.38627
   65    63 S   HC   _H25    52     1.09506   109.53475  -175.27412
   66    63 S   CT   _C12    53     1.52121   107.11572   -54.95194
   67    66 S   HC   _H35    54     1.10015   106.18117   -54.32395
   68    66 S   CT   _C14    55     1.53742   115.99048  -168.85896
   69    68 S   HC   _H37    56     1.09464   111.17404    51.25847
   70    68 S   CT   _C7_    57     1.51693   108.95072   173.99374
   71    70 S   HC   _H26    58     1.09185   113.55028   -47.59954
   72    70 S   HC   _H27    59     1.09826   110.14764  -168.81561
   73    70 S   CT   _C11    60     1.52003    99.08927    75.75261
   74    73 S   HC   _H34    61     1.09271   111.13889   159.73219
   75    73 S   CO4  _C4_    62     1.51437    97.17761    45.77078
   76    75 S   O    _O18    63     1.22124   126.40637   149.20471
   77    68 S   OS   _O19    64     1.43057   113.18663   -72.19364
  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  12   7  26  12   5   4  15   9  21   2   1
  14  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4
   3   9   4   9   6   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    73    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    49    66    70    73    74    75    40    44    45    50    46    53    47    48  
   38    39    41    73    40    44    46    47  
   36    37  
   37  
    0  
   39    41    42    43    49    57    73    40    44    46    47    48  
   41    42    43    49    40    47    48  
   44    45    50    51    52    46    53    54    55    56    47    41    49    57    63    66    67    68    70    71    72    73    74    75    76    77  
   42    43    49    57    58    59    60    66    50    46    47    48  
   43    49    57    46    47  
   49    57    46    47  
   45    50    51    52    46    53    54    55    56    49    66    70    73    74    75  
   50    51    52    46    53    54    55    56    73  
   53    49    50    51    52    57    58    59    60    63    64    65    66    67    68    69    70    73    74    75    77  
   48    49  
    0  
   57    58    59    60    61    62    63    66    67    68    73    50    51    52  
   51    52    53    54    55    56    57    63    66    67    68    73  
   52    53    66  
   53    66  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    77  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    75    77  
   68    69    70    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    75    77  
   71    72    73    74    75    76    77  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.166300   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  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   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    40   260.000  1.519
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    47   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   310.000  1.447
   49    57   310.000  1.447
   49    46   310.000  1.447
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    46   260.000  1.519
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    77   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    40   260.000  1.519
   75    76   570.000  1.229
   75    77   214.000  1.327
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    46   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    44    65.00000  119.52000
   33    40    46    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    49    75.00000  113.73300
   38    47    48    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    49    57    80.00000  110.40700
   41    49    46    80.00000  110.40700
   43    41    42    33.00000  107.80000
   49    41    42    50.00000  110.15500
   49    41    43    50.00000  110.15500
   49    57    58    50.00000  110.15500
   49    57    59    50.00000  110.15500
   49    57    60    75.00000  113.73300
   49    46    66    75.00000  113.73300
   49    46    40    65.00000  120.10000
   49    46    50    65.00000  120.10000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    46    70.00000  112.98000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    46    40    65.00000  119.52000
   66    46    50    65.00000  119.52000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    77    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    63.00000  111.10000
   70    73    40    70.00000  112.98000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    80.00000  120.40000
   73    75    77    81.00000  111.40000
   73    40    44    65.00000  119.52000
   73    40    46    65.00000  119.52000
   75    73    74    35.00000  109.50000
   77    68    69    35.00000  109.50000
   77    68    70    50.00000  109.50000
   77    75    76    83.00000  123.40000
   40    33    34    45.00000  111.22300
   40    33    38    70.00000  112.98000
   40    73    74    45.00000  111.22300
   40    73    75    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    50    63.00000   92.00000
   40    44    53    65.00000  119.52000
   40    46    50    63.00000   92.00000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    46    63.00000   92.00000
   44    53    54    45.00000  111.22300
   44    53    55    45.00000  111.22300
   44    53    56    45.00000  111.22300
   50    44    45    37.50000  110.70000
   52    50    51    33.00000  107.80000
   46    49    57    80.00000  110.40700
   46    66    67    45.00000  111.22300
   46    66    68    70.00000  112.98000
   46    40    44    63.00000   92.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   53    44    45    45.00000  112.72800
   53    44    50    65.00000  119.52000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    41    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    49   1.53400  1.0 1.0
   33    38    41    49  -0.09950 -1.0 2.0
   33    38    41    49   0.05700  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    50  -0.70950  1.0 1.0
   33    40    44    50   0.38400 -1.0 2.0
   33    40    44    53   0.56750  1.0 1.0
   33    40    44    53  -0.07550 -1.0 2.0
   33    40    44    53   0.20000  1.0 3.0
   33    40   -46    49   1.53400  1.0 1.0
   33    40   -46    49  -0.09950 -1.0 2.0
   33    40   -46    49   0.05700  1.0 3.0
   33    40    46    66   0.56750  1.0 1.0
   33    40    46    66  -0.07550 -1.0 2.0
   33    40    46    66   0.20000  1.0 3.0
   33    40   -46    50  -0.70950  1.0 1.0
   33    40   -46    50   0.38400 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.00000  1.0 1.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    44   0.04050  1.0 1.0
   38    33    40    44   0.63700 -1.0 2.0
   38    33    40    44   0.17650  1.0 3.0
   38    33    40    46   0.04050  1.0 1.0
   38    33    40    46   0.63700 -1.0 2.0
   38    33    40    46   0.17650  1.0 3.0
   38    41    49    57   1.99000  1.0 1.0
   38    41    49    57   0.18800 -1.0 2.0
   38    41    49    57   0.81350  1.0 3.0
   38    41   -49    46   1.99000  1.0 1.0
   38    41   -49    46   0.18800 -1.0 2.0
   38    41   -49    46   0.81350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   41    38    47    48  -0.11600  1.0 1.0
   41    38    47    48  -0.09450 -1.0 2.0
   41    38    47    48   0.21250  1.0 3.0
   41    49    57    58   0.28000  1.0 3.0
   41    49    57    59   0.28000  1.0 3.0
   41    49    57    60   1.99000  1.0 1.0
   41    49    57    60   0.18800 -1.0 2.0
   41    49    57    60   0.81350  1.0 3.0
   41    49    46    66   1.99000  1.0 1.0
   41    49    46    66   0.18800 -1.0 2.0
   41    49    46    66   0.81350  1.0 3.0
   41    49    46    40   1.99000  1.0 1.0
   41    49    46    40   0.18800 -1.0 2.0
   41    49    46    40   0.81350  1.0 3.0
   41    49    46    50   1.99000  1.0 1.0
   41    49    46    50   0.18800 -1.0 2.0
   41    49    46    50   0.81350  1.0 3.0
   42    41    49    57   0.28000  1.0 3.0
   42    41    49    46   0.28000  1.0 3.0
   43    41    49    57   0.28000  1.0 3.0
   43    41    49    46   0.28000  1.0 3.0
   49    57    60    61   0.15000  1.0 3.0
   49    57    60    62   0.15000  1.0 3.0
   49    57    60    63   1.53400  1.0 1.0
   49    57    60    63  -0.09950 -1.0 2.0
   49    57    60    63   0.05700  1.0 3.0
   57    49    46    66   1.99000  1.0 1.0
   57    49    46    66   0.18800 -1.0 2.0
   57    49    46    66   0.81350  1.0 3.0
   57    49    46    40   1.99000  1.0 1.0
   57    49    46    40   0.18800 -1.0 2.0
   57    49    46    40   0.81350  1.0 3.0
   57    49    46    50   1.99000  1.0 1.0
   57    49    46    50   0.18800 -1.0 2.0
   57    49    46    50   0.81350  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60   -63    66   0.56750  1.0 1.0
   57    60   -63    66  -0.07550 -1.0 2.0
   57    60   -63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63    66    46   0.31550 -1.0 2.0
   60    63    66    46   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    77   0.62750  1.0 1.0
   63    66    68    77  -0.30950 -1.0 2.0
   63    66    68    77   0.27300  1.0 3.0
   63    66   -46    49   1.53400  1.0 1.0
   63    66   -46    49  -0.09950 -1.0 2.0
   63    66   -46    49   0.05700  1.0 3.0
   63    66    46    40   0.04050  1.0 1.0
   63    66    46    40   0.63700 -1.0 2.0
   63    66    46    40   0.17650  1.0 3.0
   63    66    46    50   0.04050  1.0 1.0
   63    66    46    50   0.63700 -1.0 2.0
   63    66    46    50   0.17650  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    46   0.15000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.56750  1.0 1.0
   66    68    70    73  -0.07550 -1.0 2.0
   66    68    70    73   0.20000  1.0 3.0
   66    68    77    75  -0.25900  1.0 1.0
   66    68    77    75  -0.47000 -1.0 2.0
   66    68    77    75   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    46    49   0.15000  1.0 3.0
   67    66    46    40   0.00000  1.0 1.0
   67    66    46    50   0.00000  1.0 1.0
   68    66    46    49   1.53400  1.0 1.0
   68    66    46    49  -0.09950 -1.0 2.0
   68    66    46    49   0.05700  1.0 3.0
   68    66    46    40   0.04050  1.0 1.0
   68    66    46    40   0.63700 -1.0 2.0
   68    66    46    40   0.17650  1.0 3.0
   68    66    46    50   0.04050  1.0 1.0
   68    66    46    50   0.63700 -1.0 2.0
   68    66    46    50   0.17650  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    75  -0.95700  1.0 1.0
   68    70   -73    75  -0.18200 -1.0 2.0
   68    70   -73    75   0.29450  1.0 3.0
   68    70   -73    40   0.31550 -1.0 2.0
   68    70   -73    40   0.11250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    77    75   0.08050  1.0 3.0
   70    68   -77    75  -0.25900  1.0 1.0
   70    68   -77    75  -0.47000 -1.0 2.0
   70    68   -77    75   0.11750  1.0 3.0
   70    73    75    76   0.30150 -1.0 2.0
   70    73   -75    77   0.36750  1.0 3.0
   70    73    40    33   0.56750  1.0 1.0
   70    73    40    33  -0.07550 -1.0 2.0
   70    73    40    33   0.20000  1.0 3.0
   70    73    40    44   0.04050  1.0 1.0
   70    73    40    44   0.63700 -1.0 2.0
   70    73    40    44   0.17650  1.0 3.0
   70    73    40    46   0.04050  1.0 1.0
   70    73    40    46   0.63700 -1.0 2.0
   70    73    40    46   0.17650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    40   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    40   0.15000  1.0 3.0
   73    75   -77    68   1.63150  1.0 1.0
   73    75   -77    68   2.92000 -1.0 2.0
   73    40    44    45   0.15000  1.0 3.0
   73    40    44    50  -0.70950  1.0 1.0
   73    40    44    50   0.38400 -1.0 2.0
   73    40    44    53   0.56750  1.0 1.0
   73    40    44    53  -0.07550 -1.0 2.0
   73    40    44    53   0.20000  1.0 3.0
   73    40    46    49   1.53400  1.0 1.0
   73    40    46    49  -0.09950 -1.0 2.0
   73    40    46    49   0.05700  1.0 3.0
   73    40   -46    66   0.56750  1.0 1.0
   73    40   -46    66  -0.07550 -1.0 2.0
   73    40   -46    66   0.20000  1.0 3.0
   73    40   -46    50  -0.70950  1.0 1.0
   73    40   -46    50   0.38400 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    44   0.00000  1.0 1.0
   74    73    40    46   0.00000  1.0 1.0
   75    73    40    33  -0.95700  1.0 1.0
   75    73    40    33  -0.18200 -1.0 2.0
   75    73    40    33   0.29450  1.0 3.0
   75    73    40    44  -0.95700  1.0 1.0
   75    73    40    44  -0.18200 -1.0 2.0
   75    73    40    44   0.29450  1.0 3.0
   75    73    40    46  -0.95700  1.0 1.0
   75    73    40    46  -0.18200 -1.0 2.0
   75    73    40    46   0.29450  1.0 3.0
   76    75    77    68   3.00000 -1.0 2.0
   77    68    70    71   0.23400  1.0 3.0
   77    68    70    72   0.23400  1.0 3.0
   77    68   -70    73   0.62750  1.0 1.0
   77    68   -70    73  -0.30950 -1.0 2.0
   77    68   -70    73   0.27300  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.31550 -1.0 2.0
   40    33   -38    41   0.11250  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    73    75    76   0.30150 -1.0 2.0
   40    73    75    77   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44   -50    46   0.00000  1.0 1.0
   40    44    53    54   0.00000  1.0 1.0
   40    44    53    55   0.00000  1.0 1.0
   40    44    53    56   0.00000  1.0 1.0
   44    40    46    49   1.53400  1.0 1.0
   44    40    46    49  -0.09950 -1.0 2.0
   44    40    46    49   0.05700  1.0 3.0
   44    40    46    66  -0.70950  1.0 1.0
   44    40    46    66   0.38400 -1.0 2.0
   44    40   -46    50   0.00000  1.0 1.0
   44    50   -46    49   1.53400  1.0 1.0
   44    50   -46    49  -0.09950 -1.0 2.0
   44    50   -46    49   0.05700  1.0 3.0
   44    50   -46    66  -0.70950  1.0 1.0
   44    50   -46    66   0.38400 -1.0 2.0
   44    50   -46    40   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    46   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    56   0.15000  1.0 3.0
   50    44    53    54   0.00000  1.0 1.0
   50    44    53    55   0.00000  1.0 1.0
   50    44    53    56   0.00000  1.0 1.0
   51    50    46    49   0.15000  1.0 3.0
   51    50    46    66   0.15000  1.0 3.0
   51    50   -46    40   0.15000  1.0 3.0
   52    50    46    49   0.15000  1.0 3.0
   52    50    46    66   0.15000  1.0 3.0
   52    50   -46    40   0.15000  1.0 3.0
   46    49    57    58   0.28000  1.0 3.0
   46    49    57    59   0.28000  1.0 3.0
   46    49   -57    60   1.99000  1.0 1.0
   46    49   -57    60   0.18800 -1.0 2.0
   46    49   -57    60   0.81350  1.0 3.0
   46    66    68    69   0.15000  1.0 3.0
   46    66   -68    70   0.31550 -1.0 2.0
   46    66   -68    70   0.11250  1.0 3.0
   46    66    68    77   0.62750  1.0 1.0
   46    66    68    77  -0.30950 -1.0 2.0
   46    66    68    77   0.27300  1.0 3.0
   46    40   -44    45   0.15000  1.0 3.0
   46    40   -44    50   0.00000  1.0 1.0
   46    40    44    53  -0.70950  1.0 1.0
   46    40    44    53   0.38400 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    46  -0.70950  1.0 1.0
   53    44   -50    46   0.38400 -1.0 2.0
   47    38    41    42   0.23400  1.0 3.0
   47    38    41    43   0.23400  1.0 3.0
   47    38    41    49   3.18500  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
END
