* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    164    270     495
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   104.70053   -33.39919
    3     1 S   H    _H1_     3     1.02138    67.81269    71.15992
    4     1 S   H    _H2_     4     1.02116    45.08472  -135.30899
    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     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C18    36     1.84331    97.47714  -158.11959
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C5_    37     1.53844   108.50259    59.95273
   38    37 S   HC   _H22    38     1.09612   113.15870    20.15416
   39    37 S   HC   _H23    39     1.09604   111.69904   -99.72049
   40    33 S   CT   _C9_    69     1.54512   109.21244  -177.29325
   41    40 S   HC   _H30    70     1.09846   108.64820   157.06872
   42    40 S   HC   _H31    71     1.09785   110.99648    42.05631
   43    33 S   CT   _C19    78     1.53716   106.88800   -59.33029
   44    43 S   HC   _H41    79     1.08546   109.33014   -62.06077
   45    43 S   HC   _H42    80     1.08526   109.31130   177.91832
   46    43 S   HC   _H43    81     1.08597   109.31342    57.96372
   47    37 S   CO4  _C4_    40     1.51542   110.38788   139.34115
   48    47 S   O    _O19    41     1.22942   120.92139   118.98049
   49    47 S   CT   _C17    42     1.53356   115.55633   -62.65615
   50    49 S   CT   _C8_    43     1.54784   109.81073   -81.47738
   51    50 S   HC   _H28    44     1.09687   110.48555   136.27499
   52    50 S   HC   _H29    45     1.09543   113.35948    16.36051
   53    49 S   CT   _C15    60     1.55809   113.56173   160.99366
   54    53 S   HC   _H39    61     1.09517   112.68093     8.86127
   55    50 S   CT   _C14    46     1.53104   106.35508  -106.38100
   56    55 S   HC   _H38    47     1.09785   109.81757  -151.59433
   57    53 S   CT   _C16    62     1.53257   105.08525  -109.60748
   58    57 S   HC   _H40    63     1.09501   109.85785    86.34965
   59    55 S   CT   _C11    48     1.53570   112.75991    87.84458
   60    59 S   HC   _H34    49     1.09507   111.45709   -45.51533
   61    59 S   HC   _H35    50     1.09728   107.90746    71.11164
   62    57 S   CT   _C7_    64     1.52330   104.04696   -31.45663
   63    62 S   HC   _H26    65     1.09726   110.59896   -78.05620
   64    62 S   HC   _H27    66     1.09434   111.76688   163.52354
   65    57 S   OH   _O20    72     1.41313   113.04460  -152.73468
   66    65 S   HO   _H47    73     0.97365   107.24013   176.90642
   67    59 S   NT   _N18    51     1.46888   111.05651  -168.66547
   68    49 S   CT   _C13    67     1.55825   109.33926    42.51732
   69    68 S   HC   _H37    68     1.09542   111.65368  -105.10419
   70    67 S   CT   _C10    52     1.46918   110.27244    61.60846
   71    70 S   HC   _H32    53     1.09695   109.70142   178.94649
   72    70 S   HC   _H33    54     1.09746   111.16698    60.82611
   73    67 S   CT   _C20    74     1.46273   110.42819  -176.15962
   74    73 S   HC   _H44    75     1.09317   110.09209    57.78358
   75    73 S   HC   _H45    76     1.09352   110.21374   -62.16768
   76    73 S   HC   _H46    77     1.09326   110.25973   177.85023
   77    70 S   CT   _C6_    55     1.52943   110.79023   -62.15148
   78    77 S   HC   _H24    56     1.09426   109.40719   177.87920
   79    77 S   HC   _H25    57     1.09848   108.21599   -66.74224
   80    55 S   CT   _C12    58     1.52847   102.78952   -34.82111
   81    80 S   HC   _H36    59     1.09848   108.32226   -76.31935
  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  13   5   4   3
  16   2   1   1  15   6   5  16   6   5   5   2   1   1  13   4
  19  17   7   6  19   9  14   7  11   7  13   5   4   7   4   3
   3   1  11   2   1  11   6   5   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    68    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    62    68    69    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    53    68    40    41    42    43    44    45    46  
   39    47    48    49    40    43  
   47    48    49    40    43  
   41    42    43    44    45    46    47    49    50    53    57    62    63    64    68    69  
   42    43    49    62    68    69  
   43    49    62    68    69  
   44    45    46    47    68  
   45    46  
   46  
    0  
   48    49    50    51    52    55    80    53    54    57    62    68    69  
   49    50    53    68  
   50    51    52    55    56    59    77    80    81    53    54    57    58    62    63    64    68    69    65  
   51    52    55    56    59    60    61    67    77    80    81    53    54    57    62    68    69  
   52    55    56    59    80    53    68  
   55    56    59    80    53    68  
   54    57    58    62    63    64    68    69    65    66    55    56    59    70    77    78    79    80    81  
   57    58    62    68    65    55    77    80    81  
   56    59    60    61    67    70    77    78    79    80    81    57    68    73  
   59    60    61    67    77    80    81  
   58    62    63    64    68    69    65    66    77    80    81  
   62    63    64    68    65    66    80  
   60    61    67    70    71    72    77    80    81    73    74    75    76  
   61    67    70    80    73  
   67    70    80    73  
   63    64    68    69    65    66    80  
   64    68    69    65  
   68    69    65  
   66    68    80  
    0  
   70    71    72    77    78    79    80    73    74    75    76  
   69    80  
    0  
   71    72    77    78    79    80    81    73    74    75    76  
   72    77    78    79    80    73  
   77    78    79    80    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   268.000  1.529
   49    53   268.000  1.529
   49    68   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    80   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    39    35.00000  109.50000
   47    49    50    63.00000  111.10000
   47    49    53    63.00000  111.10000
   47    49    68    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    50    51    37.50000  110.70000
   49    50    52    37.50000  110.70000
   49    50    55    58.35000  112.70000
   49    53    80    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    57    58.35000  112.70000
   49    68    62    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    40    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    80    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    67    56.20000  109.47000
   55    80    77    58.35000  112.70000
   55    80    81    37.50000  110.70000
   55    80    53    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    67    70    51.80000  107.20000
   59    67    73    51.80000  107.20000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    77    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    53    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    55    56    37.50000  110.70000
   80    55    59    58.35000  112.70000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    53    54    37.50000  110.70000
   80    53    57    58.35000  112.70000
   53    49    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    62    58.35000  112.70000
   53    57    65    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   57    65    66    55.00000  108.50000
   62    57    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    40    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    49    50    58.35000  112.70000
   68    49    53    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    40    41    37.50000  110.70000
   68    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    68    69    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    62    50.00000  109.50000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   37    33    40    68   0.56750  1.0 1.0
   37    33    40    68  -0.07550 -1.0 2.0
   37    33    40    68   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.60050  1.0 1.0
   37    47    49    50   0.05600 -1.0 2.0
   37    47    49    50   0.26150  1.0 3.0
   37    47    49    53   0.60050  1.0 1.0
   37    47    49    53   0.05600 -1.0 2.0
   37    47    49    53   0.26150  1.0 3.0
   37    47   -49    68   0.60050  1.0 1.0
   37    47   -49    68   0.05600 -1.0 2.0
   37    47   -49    68   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   39    37    47    48   0.00000  1.0 1.0
   39    37    47    49   0.00000  1.0 1.0
   47    49    50    51  -0.11250  1.0 3.0
   47    49    50    52  -0.11250  1.0 3.0
   47    49    50    55  -0.95700  1.0 1.0
   47    49    50    55  -0.18200 -1.0 2.0
   47    49    50    55   0.29450  1.0 3.0
   47    49    53    80  -0.95700  1.0 1.0
   47    49    53    80  -0.18200 -1.0 2.0
   47    49    53    80   0.29450  1.0 3.0
   47    49    53    54  -0.11250  1.0 3.0
   47    49    53    57  -0.95700  1.0 1.0
   47    49    53    57  -0.18200 -1.0 2.0
   47    49    53    57   0.29450  1.0 3.0
   47    49    68    62  -0.95700  1.0 1.0
   47    49    68    62  -0.18200 -1.0 2.0
   47    49    68    62   0.29450  1.0 3.0
   47    49    68    69  -0.11250  1.0 3.0
   47    49    68    40  -0.95700  1.0 1.0
   47    49    68    40  -0.18200 -1.0 2.0
   47    49    68    40   0.29450  1.0 3.0
   48    47    49    50   0.30150 -1.0 2.0
   48    47    49    53   0.30150 -1.0 2.0
   48    47    49    68   0.30150 -1.0 2.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.56750  1.0 1.0
   49    50    55    59  -0.07550 -1.0 2.0
   49    50    55    59   0.20000  1.0 3.0
   49    50   -55    80   0.56750  1.0 1.0
   49    50   -55    80  -0.07550 -1.0 2.0
   49    50   -55    80   0.20000  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53   -57    62   0.56750  1.0 1.0
   49    53   -57    62  -0.07550 -1.0 2.0
   49    53   -57    62   0.20000  1.0 3.0
   49    53    57    65   0.86500  1.0 1.0
   49    53    57    65  -0.17500 -1.0 2.0
   49    53    57    65   0.20800  1.0 3.0
   49    68   -40    33   0.56750  1.0 1.0
   49    68   -40    33  -0.07550 -1.0 2.0
   49    68   -40    33   0.20000  1.0 3.0
   49    68    40    41   0.15000  1.0 3.0
   49    68    40    42   0.15000  1.0 3.0
   50    49   -53    80   0.56750  1.0 1.0
   50    49   -53    80  -0.07550 -1.0 2.0
   50    49   -53    80   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57   0.56750  1.0 1.0
   50    49    53    57  -0.07550 -1.0 2.0
   50    49    53    57   0.20000  1.0 3.0
   50    49    68    62   0.56750  1.0 1.0
   50    49    68    62  -0.07550 -1.0 2.0
   50    49    68    62   0.20000  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   50    49    68    40   0.56750  1.0 1.0
   50    49    68    40  -0.07550 -1.0 2.0
   50    49    68    40   0.20000  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55    59    67   1.53400  1.0 1.0
   50    55    59    67  -0.09950 -1.0 2.0
   50    55    59    67   0.05700  1.0 3.0
   50    55    80    77   0.56750  1.0 1.0
   50    55    80    77  -0.07550 -1.0 2.0
   50    55    80    77   0.20000  1.0 3.0
   50    55    80    81   0.15000  1.0 3.0
   50    55   -80    53   0.56750  1.0 1.0
   50    55   -80    53  -0.07550 -1.0 2.0
   50    55   -80    53   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    80   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   52    50    55    80   0.15000  1.0 3.0
   55    59    67    70   0.23450  1.0 1.0
   55    59    67    70   0.02050 -1.0 2.0
   55    59    67    70   0.25250  1.0 3.0
   55    59    67    73   0.58650  1.0 1.0
   55    59    67    73   0.12600 -1.0 2.0
   55    59    67    73   0.33350  1.0 3.0
   55    80   -53    49   0.56750  1.0 1.0
   55    80   -53    49  -0.07550 -1.0 2.0
   55    80   -53    49   0.20000  1.0 3.0
   55    80    53    54   0.15000  1.0 3.0
   55    80    53    57   0.56750  1.0 1.0
   55    80    53    57  -0.07550 -1.0 2.0
   55    80    53    57   0.20000  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    67   0.15000  1.0 3.0
   56    55    80    77   0.15000  1.0 3.0
   56    55    80    81   0.15000  1.0 3.0
   56    55    80    53   0.15000  1.0 3.0
   59    55    80    77   0.56750  1.0 1.0
   59    55    80    77  -0.07550 -1.0 2.0
   59    55    80    77   0.20000  1.0 3.0
   59    55    80    81   0.15000  1.0 3.0
   59    55    80    53   0.56750  1.0 1.0
   59    55    80    53  -0.07550 -1.0 2.0
   59    55    80    53   0.20000  1.0 3.0
   59    67    70    71   0.28000  1.0 3.0
   59    67    70    72   0.28000  1.0 3.0
   59    67   -70    77   0.23450  1.0 1.0
   59    67   -70    77   0.02050 -1.0 2.0
   59    67   -70    77   0.25250  1.0 3.0
   59    67    73    74   0.28000  1.0 3.0
   59    67    73    75   0.28000  1.0 3.0
   59    67    73    76   0.28000  1.0 3.0
   60    59    67    70   0.28000  1.0 3.0
   60    59    67    73   0.28000  1.0 3.0
   61    59    67    70   0.28000  1.0 3.0
   61    59    67    73   0.28000  1.0 3.0
   67    70    77    78   0.15000  1.0 3.0
   67    70    77    79   0.15000  1.0 3.0
   67    70    77    80   1.53400  1.0 1.0
   67    70    77    80  -0.09950 -1.0 2.0
   67    70    77    80   0.05700  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   70    77   -80    55   0.56750  1.0 1.0
   70    77   -80    55  -0.07550 -1.0 2.0
   70    77   -80    55   0.20000  1.0 3.0
   70    77    80    81   0.15000  1.0 3.0
   70    77    80    53   0.56750  1.0 1.0
   70    77    80    53  -0.07550 -1.0 2.0
   70    77    80    53   0.20000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   0.15000  1.0 3.0
   77    80    53    49   0.56750  1.0 1.0
   77    80    53    49  -0.07550 -1.0 2.0
   77    80    53    49   0.20000  1.0 3.0
   77    80    53    54   0.15000  1.0 3.0
   77    80    53    57   0.56750  1.0 1.0
   77    80    53    57  -0.07550 -1.0 2.0
   77    80    53    57   0.20000  1.0 3.0
   78    77    80    55   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    53   0.15000  1.0 3.0
   79    77    80    55   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    53   0.15000  1.0 3.0
   80    55    59    60   0.15000  1.0 3.0
   80    55    59    61   0.15000  1.0 3.0
   80    55   -59    67   1.53400  1.0 1.0
   80    55   -59    67  -0.09950 -1.0 2.0
   80    55   -59    67   0.05700  1.0 3.0
   80    53    57    58   0.15000  1.0 3.0
   80    53    57    62   0.56750  1.0 1.0
   80    53    57    62  -0.07550 -1.0 2.0
   80    53    57    62   0.20000  1.0 3.0
   80    53    57    65   0.86500  1.0 1.0
   80    53    57    65  -0.17500 -1.0 2.0
   80    53    57    65   0.20800  1.0 3.0
   81    80    53    49   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    57   0.15000  1.0 3.0
   53    49    50    51   0.15000  1.0 3.0
   53    49    50    52   0.15000  1.0 3.0
   53    49   -50    55   0.56750  1.0 1.0
   53    49   -50    55  -0.07550 -1.0 2.0
   53    49   -50    55   0.20000  1.0 3.0
   53    49   -68    62   0.56750  1.0 1.0
   53    49   -68    62  -0.07550 -1.0 2.0
   53    49   -68    62   0.20000  1.0 3.0
   53    49    68    69   0.15000  1.0 3.0
   53    49    68    40   0.56750  1.0 1.0
   53    49    68    40  -0.07550 -1.0 2.0
   53    49    68    40   0.20000  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57   -62    68   0.56750  1.0 1.0
   53    57   -62    68  -0.07550 -1.0 2.0
   53    57   -62    68   0.20000  1.0 3.0
   53    57    65    66  -0.11600  1.0 1.0
   53    57    65    66  -0.09450 -1.0 2.0
   53    57    65    66   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   54    53    57    65   0.23400  1.0 3.0
   57    62   -68    49   0.56750  1.0 1.0
   57    62   -68    49  -0.07550 -1.0 2.0
   57    62   -68    49   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    40   0.56750  1.0 1.0
   57    62    68    40  -0.07550 -1.0 2.0
   57    62    68    40   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   58    57    65    66   0.19450  1.0 3.0
   62    57    65    66  -0.11600  1.0 1.0
   62    57    65    66  -0.09450 -1.0 2.0
   62    57    65    66   0.21250  1.0 3.0
   62    68    40    33   0.56750  1.0 1.0
   62    68    40    33  -0.07550 -1.0 2.0
   62    68    40    33   0.20000  1.0 3.0
   62    68    40    41   0.15000  1.0 3.0
   62    68    40    42   0.15000  1.0 3.0
   63    62    68    49   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    40   0.15000  1.0 3.0
   64    62    68    49   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    40   0.15000  1.0 3.0
   68    49    50    51   0.15000  1.0 3.0
   68    49    50    52   0.15000  1.0 3.0
   68    49    50    55   0.56750  1.0 1.0
   68    49    50    55  -0.07550 -1.0 2.0
   68    49    50    55   0.20000  1.0 3.0
   68    49    53    80   0.56750  1.0 1.0
   68    49    53    80  -0.07550 -1.0 2.0
   68    49    53    80   0.20000  1.0 3.0
   68    49    53    54   0.15000  1.0 3.0
   68    49   -53    57   0.56750  1.0 1.0
   68    49   -53    57  -0.07550 -1.0 2.0
   68    49   -53    57   0.20000  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    47  -0.95700  1.0 1.0
   40    33   -37    47  -0.18200 -1.0 2.0
   40    33   -37    47   0.29450  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   65    57    62    63   0.23400  1.0 3.0
   65    57    62    64   0.23400  1.0 3.0
   65    57    62    68   0.86500  1.0 1.0
   65    57    62    68  -0.17500 -1.0 2.0
   65    57    62    68   0.20800  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    77   0.58650  1.0 1.0
   73    67    70    77   0.12600 -1.0 2.0
   73    67    70    77   0.33350  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    40    68   0.56750  1.0 1.0
   43    33    40    68  -0.07550 -1.0 2.0
   43    33    40    68   0.20000  1.0 3.0
   43    33    40    41   0.15000  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
END
