* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    231     454
    1     0 S   NP   _N1_     1    28.80096    95.64552   -24.10688
    2     1 S   H    _HN1     2     1.02952    72.84826    25.76554
    3     1 S   H    _H1_     3     1.02830    37.31402  -178.43990
    4     1 S   H    _H2_     4     1.02786   105.47494   -79.09541
    5     1 S   CT   _CA1     5     1.50108   138.06441   127.46070
    6     5 S   HC   _HA1     6     1.09573   105.21428    90.91815
    7     5 S   CO3  _C1_     7     1.53798   112.43500   -29.35490
    8     7 S   O2Z  _O11     8     1.26372   115.01674   -43.26000
    9     7 S   O2Z  _O12     9     1.26238   114.94658   135.90450
   10     5 S   CT   _CB1    10     1.53082   107.42669  -151.08570
   11    10 S   HC   HB11    11     1.09832   109.41471   -49.68542
   12    10 S   HC   HB12    12     1.09815   110.42646    66.92697
   13    10 S   CT   _CG1    13     1.52987   112.59426  -170.66603
   14    13 S   HC   HG11    14     1.09586   110.61170   -64.61602
   15    13 S   HC   HG12    15     1.09668   109.82351    54.61809
   16    13 S   C    _CD1    16     1.51794   112.24435   175.09248
   17    16 S   O    _OE1    17     1.22728   123.30115     5.35500
   18    16 S   N    _N2_    18     1.38642   111.64941  -174.79881
   19    18 S   H    _HN2    19     1.01585   118.96016     1.99684
   20    18 S   CT1  _CA2    20     1.46213   123.39799   178.24889
   21    20 S   HC   _HA2    21     1.09732   109.40502     1.73528
   22    20 S   C    _C2_    22     1.53531   108.63477  -113.82973
   23    22 S   O    _O2_    23     1.23059   122.26572  -148.12888
   24    20 S   CT   _CB2    32     1.53414   111.44612   123.77761
   25    24 S   HC   HB21    33     1.09445   109.55064    56.86660
   26    24 S   HC   HB22    34     1.09454   109.86884   175.65693
   27    22 S   N    _N3_    24     1.38323   113.70562    39.31582
   28    27 S   H    _HN3    25     1.01590   119.58154    -3.35486
   29    24 S   S    _SG2    35     1.83121   111.19271   -65.00866
   30    27 S   CT   _CA3    26     1.45286   123.19145   177.12588
   31    30 S   HC   HA31    27     1.09549   107.50967   -64.59208
   32    30 S   HC   HA32    28     1.09557   107.98327    51.84045
   33    29 S   CT   _C23    36     1.86806   101.79155   164.96622
   34    30 S   CO3  _C3_    29     1.52953   114.09324   173.84476
   35    34 S   O2Z  _O31    30     1.26373   116.07078    -0.52077
   36    34 S   O2Z  _O32    31     1.26429   114.41042   179.53606
   37    33 S   CM   _C10    37     1.52200   107.16742   -67.94974
   38    37 S   HC   _H28    38     1.09122   115.14216   -56.28713
   39    33 S   CT   _C21    77     1.53972   108.96647    58.03021
   40    39 S   HC   _H47    78     1.09659   111.46751    56.42820
   41    39 S   HC   _H48    79     1.09509   112.62673   -64.85527
   42    39 S   HC   _H49    80     1.09638   111.34007   175.70244
   43    33 S   CT   _C22    81     1.54792   105.12404   175.43636
   44    43 S   HC   _H50    82     1.09805   111.67184    59.97635
   45    43 S   HC   _H51    83     1.09807   110.93781   -59.64208
   46    37 S   CM   _C8_    39     1.34421   126.85060   124.26971
   47    46 S   HC   _H26    40     1.08272   119.39072    -0.18131
   48    43 S   CO4  _C11    84     1.51188   112.95962   179.81655
   49    48 S   O    _O21    85     1.22722   123.22993   117.58621
   50    48 S   HC   _H29    86     1.10304   116.12844   -63.56030
   51    46 S   CM   _C9_    41     1.44967   122.62852   179.93744
   52    51 S   HC   _H27    42     1.09081   114.10325     0.06853
   53    51 S   CM   _C12    43     1.35050   127.63514   180.00000
   54    53 S   CM   _C7_    44     1.46600   118.20648  -179.93147
   55    54 S   HC   _H25    45     1.09030   115.72001     0.40830
   56    53 S   CT   _C18    73     1.50848   124.65455     0.03956
   57    56 S   HC   _H38    74     1.09587   110.46663  -119.74227
   58    56 S   HC   _H39    75     1.09584   110.47335   119.92531
   59    56 S   HC   _H40    76     1.09177   113.87828     0.09691
   60    54 S   CM   _C6_    46     1.34449   126.69869  -179.86152
   61    60 S   HC   _H24    47     1.08569   121.29231    -1.01201
   62    60 S   CM   _C4_    48     1.46248   123.42293  -179.04162
   63    62 S   CM   _C5_    49     1.35545   121.65568   -68.43052
   64    63 S   CT   _C13    50     1.51458   122.82019   176.73673
   65    64 S   HC   _H30    51     1.09764   107.50979   108.35036
   66    64 S   HC   _H31    52     1.09724   108.87352  -135.54063
   67    63 S   CT   _C17    69     1.51131   124.64485    -4.29354
   68    67 S   HC   _H35    70     1.09486   110.04319   110.18832
   69    67 S   HC   _H36    71     1.09290   113.76350   -11.37013
   70    67 S   HC   _H37    72     1.09575   109.98118  -130.58079
   71    64 S   CT   _C15    53     1.52597   114.88532   -13.00329
   72    71 S   HC   _H34    54     1.09620   109.27412   161.80245
   73    71 S   CT   _C14    55     1.52265   110.84315    41.45524
   74    73 S   HC   _H32    56     1.09917   107.65929    65.45270
   75    73 S   HC   _H33    57     1.09784   109.40624  -179.28099
   76    71 S   OH   _O22    67     1.42305   110.60319   -81.22995
   77    76 S   HO   _H52    68     0.97223   107.78321   -58.08367
   78    62 S   CT   _C16    58     1.54240   115.40265   111.26712
   79    78 S   CT   _C19    59     1.54925   111.85106    51.06856
   80    79 S   HC   _H41    60     1.09662   110.90940   174.05601
   81    79 S   HC   _H42    61     1.09633   111.24341    54.21465
   82    79 S   HC   _H43    62     1.09577   112.20548   -66.59425
   83    78 S   CT   _C20    63     1.54662   109.49289   -68.15975
   84    83 S   HC   _H44    64     1.09598   111.20814  -172.10007
   85    83 S   HC   _H45    65     1.09655   111.49957    68.69156
   86    83 S   HC   _H46    66     1.09447   112.22277   -51.14204
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   6   4   3   6   3   2
   1   1   9   3   9  10   4   4   2   1   1   9   3  21  14  14
   6   5   5   2   1   1   9   6  13   5   4   2   1   8   7   3
   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    53    54    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    60    56    57    58    59  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    78    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    73    78    79    83    67  
   62    63    78  
   63    64    65    66    71    73    74    75    78    79    80    81    82    83    84    85    86    67    68    69    70  
   64    65    66    71    72    73    78    79    83    76    67    68    69    70  
   65    66    71    72    73    74    75    78    76    77    67    68    69    70  
   66    71    72    73    76    67  
   71    72    73    76    67  
   68    69    70    71    78  
   69    70  
   70  
    0  
   72    73    74    75    78    79    83    76    77  
   73    74    75    78    76    77  
   74    75    78    79    80    81    82    83    84    85    86    76    77  
   75    78    79    83    76  
   78    79    83    76  
   77    78  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    78   317.000  1.510
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    77   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    78    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    70.00000  124.00000
   62    63    67    70.00000  124.00000
   62    78    73    70.00000  112.02700
   62    78    79    70.00000  112.02700
   62    78    83    70.00000  112.02700
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    71    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   64    71    72    37.50000  110.70000
   64    71    73    58.35000  112.70000
   64    71    76    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    58.35000  112.70000
   71    76    77    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    78    79    58.35000  112.70000
   73    78    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    62    63    70.00000  124.00000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   67    63    64    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    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    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    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    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.18600  1.0 3.0
   37    46    51    53   0.28850  1.0 1.0
   37    46    51    53   2.61350 -1.0 2.0
   37    46    51    53   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    56   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53  -0.18600  1.0 3.0
   51    53    54    55  -0.18600  1.0 3.0
   51    53    54    60   0.28850  1.0 1.0
   51    53    54    60   2.61350 -1.0 2.0
   51    53    54    60   0.78400  1.0 3.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    59   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.28850  1.0 1.0
   54    60    62    63   2.61350 -1.0 2.0
   54    60    62    63   0.78400  1.0 3.0
   54    60    62    78  -0.18600  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    67   7.00000 -1.0 2.0
   60    62    78    73   0.98200  1.0 1.0
   60    62    78    73  -0.11900 -1.0 2.0
   60    62    78    73   0.24250  1.0 3.0
   60    62    78    79   0.98200  1.0 1.0
   60    62    78    79  -0.11900 -1.0 2.0
   60    62    78    79   0.24250  1.0 3.0
   60    62    78    83   0.98200  1.0 1.0
   60    62    78    83  -0.11900 -1.0 2.0
   60    62    78    83   0.24250  1.0 3.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    78   0.00000  1.0 1.0
   62    63    64    65   0.00000  1.0 1.0
   62    63    64    66   0.00000  1.0 1.0
   62    63    64    71   0.09850  1.0 1.0
   62    63    64    71   0.15250 -1.0 2.0
   62    63    64    71  -0.50650  1.0 3.0
   62    63    67    68   0.00000  1.0 1.0
   62    63    67    69   0.00000  1.0 1.0
   62    63    67    70   0.00000  1.0 1.0
   62    78    79    80   0.15000  1.0 3.0
   62    78    79    81   0.15000  1.0 3.0
   62    78    79    82   0.15000  1.0 3.0
   62    78    83    84   0.15000  1.0 3.0
   62    78    83    85   0.15000  1.0 3.0
   62    78    83    86   0.15000  1.0 3.0
   63    62    78    73   0.09850  1.0 1.0
   63    62    78    73   0.15250 -1.0 2.0
   63    62    78    73  -0.50650  1.0 3.0
   63    62    78    79   0.09850  1.0 1.0
   63    62    78    79   0.15250 -1.0 2.0
   63    62    78    79  -0.50650  1.0 3.0
   63    62    78    83   0.09850  1.0 1.0
   63    62    78    83   0.15250 -1.0 2.0
   63    62    78    83  -0.50650  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64   -71    73   0.34400  1.0 1.0
   63    64   -71    73   0.09450 -1.0 2.0
   63    64   -71    73   0.11100  1.0 3.0
   63    64    71    76   1.05650  1.0 1.0
   63    64    71    76   0.15600 -1.0 2.0
   63    64    71    76   0.53150  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    70   0.34800  1.0 3.0
   64    71    73    74   0.15000  1.0 3.0
   64    71    73    75   0.15000  1.0 3.0
   64    71    73    78   0.56750  1.0 1.0
   64    71    73    78  -0.07550 -1.0 2.0
   64    71    73    78   0.20000  1.0 3.0
   64    71    76    77  -0.11600  1.0 1.0
   64    71    76    77  -0.09450 -1.0 2.0
   64    71    76    77   0.21250  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    76   0.23400  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    76   0.23400  1.0 3.0
   71    73   -78    62   0.34400  1.0 1.0
   71    73   -78    62   0.09450 -1.0 2.0
   71    73   -78    62   0.11100  1.0 3.0
   71    73    78    79   0.56750  1.0 1.0
   71    73    78    79  -0.07550 -1.0 2.0
   71    73    78    79   0.20000  1.0 3.0
   71    73    78    83   0.56750  1.0 1.0
   71    73    78    83  -0.07550 -1.0 2.0
   71    73    78    83   0.20000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    78   0.15000  1.0 3.0
   72    71    76    77   0.19450  1.0 3.0
   73    71    76    77  -0.11600  1.0 1.0
   73    71    76    77  -0.09450 -1.0 2.0
   73    71    76    77   0.21250  1.0 3.0
   73    78    79    80   0.15000  1.0 3.0
   73    78    79    81   0.15000  1.0 3.0
   73    78    79    82   0.15000  1.0 3.0
   73    78    83    84   0.15000  1.0 3.0
   73    78    83    85   0.15000  1.0 3.0
   73    78    83    86   0.15000  1.0 3.0
   74    73    78    62   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    83   0.15000  1.0 3.0
   75    73    78    62   0.15000  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    83   0.15000  1.0 3.0
   78    62   -63    64   7.00000 -1.0 2.0
   78    62    63    67   7.00000 -1.0 2.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   76    71    73    74   0.23400  1.0 3.0
   76    71    73    75   0.23400  1.0 3.0
   76    71    73    78   0.86500  1.0 1.0
   76    71    73    78  -0.17500 -1.0 2.0
   76    71    73    78   0.20800  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    71   0.46850  1.0 1.0
   67    63    64    71   0.08550 -1.0 2.0
   67    63    64    71   0.09800  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   54    56    53    51  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   60    78    62    63   1.10000 -1.0 2.0
   64    67    63    62   1.10000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
