* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02013    74.30301    62.68425
    3     1 S   H    _H1_     3     1.02139    39.88761  -148.54634
    4     1 S   H    _H2_     4     1.02104   101.98141   -43.66775
    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   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C19    36     1.85798    97.01675  -180.00000
   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   _C12    37     1.53726   106.06313  -160.01806
   38    33 S   CT   _C15    60     1.54606   105.02476   -44.30491
   39    38 S   HC   _H37    61     1.09522   111.38684    66.55629
   40    38 S   HC   _H38    62     1.09611   111.56228  -173.36552
   41    38 S   HC   _H39    63     1.09749   111.83356   -52.29394
   42    33 S   CT   _C18    64     1.58694   109.58468    76.15036
   43    42 S   OM   _O17    65     1.32943   107.25172    51.87977
   44    42 S   HC   _H45    66     1.10195   105.58384   178.80679
   45    37 S   CT   _C10    38     1.54135   110.52040    82.72624
   46    45 S   HC   _H30    39     1.09063   111.54637   -44.65796
   47    37 S   OH   _O20    58     1.43294   106.65601   -34.96338
   48    47 S   HO   _H46    59     0.96657   105.97526   179.03693
   49    42 S   CT   _C17    67     1.56457   113.29583   -66.19887
   50    49 S   HC   _H43    68     1.09476   110.86365    82.15821
   51    49 S   HC   _H44    69     1.10008   111.38602   -33.68752
   52    45 S   CO4  _C4_    40     1.52087   111.87587    75.54921
   53    52 S   O    _O18    41     1.23027   121.39163  -135.30179
   54    45 S   OS   _O21    53     1.42330   111.53208  -165.42323
   55    49 S   CM   _C5_    70     1.51190   113.43031  -154.98370
   56    55 S   HC   _H23    71     1.08963   114.52971   -92.58941
   57    52 S   CT   _C7_    42     1.51562   116.96728    48.71186
   58    57 S   HC   _H24    43     1.09798   109.25946    71.37227
   59    57 S   HC   _H25    44     1.09873   107.68457  -171.87419
   60    54 S   CT   _C16    54     1.42272   111.65969   157.77414
   61    60 S   HC   _H40    55     1.09283   109.50108  -180.00000
   62    60 S   HC   _H41    56     1.09258   109.57113    59.17428
   63    60 S   HC   _H42    57     1.09353   108.97010   -60.43705
   64    55 S   CM   _C6_    72     1.34585   127.31421    86.03682
   65    57 S   CT   _C8_    45     1.52200   110.75323   -50.17149
   66    65 S   HC   _H26    46     1.09479   109.78051   170.94850
   67    65 S   HC   _H27    47     1.09359   109.15871   -71.98984
   68    64 S   CT   _C13    73     1.50293   124.90872  -180.00000
   69    68 S   HC   _H31    74     1.09253   113.38934    90.01912
   70    68 S   HC   _H32    75     1.09555   110.09014  -150.36255
   71    68 S   HC   _H33    76     1.09430   110.11587   -30.98957
   72    64 S   CT   _C14    77     1.50433   120.57389    -0.67231
   73    72 S   HC   _H34    78     1.09474   110.31883    89.96978
   74    72 S   HC   _H35    79     1.09478   110.20959   -29.84635
   75    72 S   HC   _H36    80     1.09531   112.46287  -149.84534
   76    37 S   C3T  _C11    48     1.52132   110.83785  -155.16635
   77    76 S   C3T  _C9_    49     1.51732   121.67723   133.02683
   78    77 S   HC   _H28    50     1.08095   120.18144     4.91163
   79    77 S   HC   _H29    51     1.08275   118.72081   152.91841
   80    76 S   O3T  _O19    52     1.43618   114.53612    66.76562
  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
  22   2   1   1  25  10   3   2   1  11   5   4  17   7   7   1
   7   4   3  10   5   6  10   3   8   5   4   3   2   1   1   8
   7   4   3   7   3   2   1   3   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    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    76    47    38    39    40    41    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    52    65    76    77    80    54    47    48    38    39    40    41    42    43    44    49    50    51    55  
   35    36  
   36  
    0  
   45    46    52    53    57    65    66    67    76    77    78    79    80    54    60    47    48    38    39    40    41    42    43    44    49  
   39    40    41    42    43    44    49    45    47    76  
   40    41    42  
   41    42  
   42  
   43    44    49    50    51    55    56    64    45    47    76  
   44    49    50    51    55  
   49    50    51    55  
   46    52    53    57    58    59    65    76    77    80    54    60    61    62    63    47    48  
   52    53    57    76    54    60    47  
   48    52    54    65    76    77    80  
   76  
   50    51    55    56    64    68    72  
   51    55    56    64  
   55    56    64  
   53    57    58    59    65    66    67    76    54    60  
   57    58    59    65    54  
   60    61    62    63    57    76  
   56    64    68    69    70    71    72    73    74    75  
   64    68    72  
   58    59    65    66    67    76    77    80  
   59    65    66    67    76  
   65    66    67    76  
   61    62    63  
   62    63  
   63  
    0  
   68    69    70    71    72    73    74    75  
   66    67    76    77    78    79    80  
   67    76    77    80  
   76    77    80  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.056200   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   2.9000   0.1400  -0.352400   1.5900   1.4000   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    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    38   268.000  1.529
   33    42   268.000  1.529
   37    45   268.000  1.529
   37    76   275.000  1.510
   37    47   320.000  1.410
   45    46   340.000  1.090
   45    52   317.000  1.522
   45    54   320.000  1.410
   52    53   570.000  1.229
   52    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   275.000  1.510
   76    77   260.000  1.509
   76    80   335.000  1.432
   77    78   340.000  1.088
   77    79   340.000  1.088
   77    80   335.000  1.432
   54    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   47    48   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.510
   55    56   340.000  1.080
   55    64   549.000  1.340
   64    68   317.000  1.510
   64    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    45    58.35000  112.70000
   33    37    76    70.00000  112.37300
   33    37    47    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    49    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    52    63.00000  111.10000
   37    45    54    50.00000  109.50000
   37    76    65    58.35000  112.70000
   37    76    77    60.00000  120.94000
   37    76    80    80.00000  116.47100
   37    47    48    55.00000  108.50000
   45    52    53    80.00000  120.40000
   45    52    57    70.00000  116.00000
   45    54    60    60.00000  109.50000
   52    45    46    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    65    63.00000  111.10000
   57    52    53    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    76    70.00000  112.37300
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    76    77    60.00000  120.94000
   65    76    80    80.00000  116.47100
   67    65    66    33.00000  107.80000
   76    37    45    70.00000  112.37300
   76    65    66    45.00000  109.38400
   76    65    67    45.00000  109.38400
   76    77    78    37.50000  117.20000
   76    77    79    37.50000  117.20000
   76    77    80    15.00000   60.43100
   76    80    77    15.00000   59.14900
   79    77    78    35.00000  114.30000
   80    76    77    15.00000   60.43100
   80    77    78    50.00000  114.27700
   80    77    79    50.00000  114.27700
   54    45    46    35.00000  109.50000
   54    45    52    90.00000  108.74100
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   47    37    45    50.00000  109.50000
   47    37    76    50.00000  109.50000
   38    33    37    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    38    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    55    70.00000  112.02700
   44    42    43    45.00000  125.66300
   49    42    43    50.00000  109.50000
   49    42    44    37.50000  110.70000
   49    55    56    35.00000  117.00000
   49    55    64    70.00000  124.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    68    70.00000  124.00000
   55    64    72    70.00000  124.00000
   64    55    56    35.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    68    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    76   0.44750  1.0 1.0
   29    33    37    76  -0.17800 -1.0 2.0
   29    33    37    76   0.20200  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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    49   0.44750  1.0 1.0
   29    33    42    49  -0.17800 -1.0 2.0
   29    33    42    49   0.20200  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    52  -0.95700  1.0 1.0
   33    37    45    52  -0.18200 -1.0 2.0
   33    37    45    52   0.29450  1.0 3.0
   33    37    45    54   0.62750  1.0 1.0
   33    37    45    54  -0.30950 -1.0 2.0
   33    37    45    54   0.27300  1.0 3.0
   33    37    76    65   0.56750  1.0 1.0
   33    37    76    65  -0.07550 -1.0 2.0
   33    37    76    65   0.20000  1.0 3.0
   33    37    76    77   0.07850  1.0 1.0
   33    37    76    77  -0.03950 -1.0 2.0
   33    37    76    77   0.67350  1.0 3.0
   33    37    76    80   0.02550  1.0 1.0
   33    37    76    80  -0.02600 -1.0 2.0
   33    37    76    80   1.20400  1.0 3.0
   33    37    47    48  -0.11600  1.0 1.0
   33    37    47    48  -0.09450 -1.0 2.0
   33    37    47    48   0.21250  1.0 3.0
   33    42    49    50   0.15000  1.0 3.0
   33    42    49    51   0.15000  1.0 3.0
   33    42    49    55   0.34400  1.0 1.0
   33    42    49    55   0.09450 -1.0 2.0
   33    42    49    55   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.62750  1.0 1.0
   37    33    42    43  -0.30950 -1.0 2.0
   37    33    42    43   0.27300  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    49   0.56750  1.0 1.0
   37    33    42    49  -0.07550 -1.0 2.0
   37    33    42    49   0.20000  1.0 3.0
   37    45    52    53   0.30150 -1.0 2.0
   37    45    52    57   0.60050  1.0 1.0
   37    45    52    57   0.05600 -1.0 2.0
   37    45    52    57   0.26150  1.0 3.0
   37    45    54    60   0.06250  1.0 1.0
   37    45    54    60  -0.01100 -1.0 2.0
   37    45    54    60   0.28050  1.0 3.0
   37    76    77    78   0.15000  1.0 3.0
   37    76    77    79   0.15000  1.0 3.0
   37    76   -77    80   0.02550  1.0 1.0
   37    76   -77    80  -0.02600 -1.0 2.0
   37    76   -77    80   1.20400  1.0 3.0
   37    76   -80    77   0.06250  1.0 1.0
   37    76   -80    77  -0.01100 -1.0 2.0
   37    76   -80    77   0.28050  1.0 3.0
   45    37    76    65   0.56750  1.0 1.0
   45    37    76    65  -0.07550 -1.0 2.0
   45    37    76    65   0.20000  1.0 3.0
   45    37    76    77   0.07850  1.0 1.0
   45    37    76    77  -0.03950 -1.0 2.0
   45    37    76    77   0.67350  1.0 3.0
   45    37    76    80   0.02550  1.0 1.0
   45    37    76    80  -0.02600 -1.0 2.0
   45    37    76    80   1.20400  1.0 3.0
   45    37    47    48  -0.11600  1.0 1.0
   45    37    47    48  -0.09450 -1.0 2.0
   45    37    47    48   0.21250  1.0 3.0
   45    52    57    58   0.00000  1.0 1.0
   45    52    57    59   0.00000  1.0 1.0
   45    52   -57    65   0.60050  1.0 1.0
   45    52   -57    65   0.05600 -1.0 2.0
   45    52   -57    65   0.26150  1.0 3.0
   45    54    60    61   0.37050  1.0 3.0
   45    54    60    62   0.37050  1.0 3.0
   45    54    60    63   0.37050  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    57   0.00000  1.0 1.0
   46    45    54    60   0.37050  1.0 3.0
   52    45    54    60  -1.11000  1.0 1.0
   52    45    54    60   0.50250 -1.0 2.0
   52    45    54    60   0.47450  1.0 3.0
   52    57    65    66  -0.11250  1.0 3.0
   52    57    65    67  -0.11250  1.0 3.0
   52    57    65    76  -0.95700  1.0 1.0
   52    57    65    76  -0.18200 -1.0 2.0
   52    57    65    76   0.29450  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    65   0.30150 -1.0 2.0
   57    65   -76    37   0.56750  1.0 1.0
   57    65   -76    37  -0.07550 -1.0 2.0
   57    65   -76    37   0.20000  1.0 3.0
   57    65    76    77   0.07850  1.0 1.0
   57    65    76    77  -0.03950 -1.0 2.0
   57    65    76    77   0.67350  1.0 3.0
   57    65    76    80   0.02550  1.0 1.0
   57    65    76    80  -0.02600 -1.0 2.0
   57    65    76    80   1.20400  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    76   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    76   0.15000  1.0 3.0
   65    76    77    78   0.15000  1.0 3.0
   65    76    77    79   0.15000  1.0 3.0
   65    76   -77    80   0.02550  1.0 1.0
   65    76   -77    80  -0.02600 -1.0 2.0
   65    76   -77    80   1.20400  1.0 3.0
   65    76   -80    77   0.06250  1.0 1.0
   65    76   -80    77  -0.01100 -1.0 2.0
   65    76   -80    77   0.28050  1.0 3.0
   66    65    76    37   0.15000  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    80   0.23400  1.0 3.0
   67    65    76    37   0.15000  1.0 3.0
   67    65    76    77   0.15000  1.0 3.0
   67    65    76    80   0.23400  1.0 3.0
   76    37    45    46   0.15000  1.0 3.0
   76    37   -45    52  -0.95700  1.0 1.0
   76    37   -45    52  -0.18200 -1.0 2.0
   76    37   -45    52   0.29450  1.0 3.0
   76    37    45    54  -0.26800  1.0 1.0
   76    37    45    54   0.69150 -1.0 2.0
   76    37    45    54  -0.48750  1.0 3.0
   76    37    47    48  -0.11600  1.0 1.0
   76    37    47    48  -0.09450 -1.0 2.0
   76    37    47    48   0.21250  1.0 3.0
   78    77   -80    76   0.36800  1.0 3.0
   79    77   -80    76   0.36800  1.0 3.0
   80    76   -77    78   0.23400  1.0 3.0
   80    76   -77    79   0.23400  1.0 3.0
   54    45    52    53   0.30150 -1.0 2.0
   54    45    52    57   0.55300  1.0 1.0
   54    45    52    57   1.25850 -1.0 2.0
   54    45    52    57  -0.23600  1.0 3.0
   47    37    45    46   0.23400  1.0 3.0
   47    37    45    52  -0.09450  1.0 1.0
   47    37    45    52  -1.12950 -1.0 2.0
   47    37    45    52   0.54000  1.0 3.0
   47    37    45    54   3.69350  1.0 1.0
   47    37    45    54  -1.82950 -1.0 2.0
   47    37    76    65   0.86500  1.0 1.0
   47    37    76    65  -0.17500 -1.0 2.0
   47    37    76    65   0.20800  1.0 3.0
   47    37    76    77   0.86500  1.0 1.0
   47    37    76    77  -0.17500 -1.0 2.0
   47    37    76    77   0.20800  1.0 3.0
   47    37    76    80   3.69350  1.0 1.0
   47    37    76    80  -1.82950 -1.0 2.0
   38    33    37    45   0.56750  1.0 1.0
   38    33    37    45  -0.07550 -1.0 2.0
   38    33    37    45   0.20000  1.0 3.0
   38    33    37    76   0.47050  1.0 1.0
   38    33    37    76   0.03900 -1.0 2.0
   38    33    37    76   0.20100  1.0 3.0
   38    33    37    47   0.86500  1.0 1.0
   38    33    37    47  -0.17500 -1.0 2.0
   38    33    37    47   0.20800  1.0 3.0
   38    33    42    43   0.62750  1.0 1.0
   38    33    42    43  -0.30950 -1.0 2.0
   38    33    42    43   0.27300  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    49   0.56750  1.0 1.0
   38    33    42    49  -0.07550 -1.0 2.0
   38    33    42    49   0.20000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    37    76   0.47050  1.0 1.0
   42    33    37    76   0.03900 -1.0 2.0
   42    33    37    76   0.20100  1.0 3.0
   42    33    37    47   0.86500  1.0 1.0
   42    33    37    47  -0.17500 -1.0 2.0
   42    33    37    47   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    49    55    56   0.00000  1.0 1.0
   42    49    55    64   0.09850  1.0 1.0
   42    49    55    64   0.15250 -1.0 2.0
   42    49    55    64  -0.50650  1.0 3.0
   43    42    49    50   0.23400  1.0 3.0
   43    42    49    51   0.23400  1.0 3.0
   43    42    49    55   0.61850  1.0 1.0
   43    42    49    55  -0.22750 -1.0 2.0
   43    42    49    55   0.15300  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   44    42    49    55   0.15000  1.0 3.0
   49    55    64    68   7.00000 -1.0 2.0
   49    55    64    72   7.00000 -1.0 2.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.33100  1.0 3.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    68    69   0.00000  1.0 1.0
   55    64    68    70   0.00000  1.0 1.0
   55    64    68    71   0.00000  1.0 1.0
   55    64    72    73   0.00000  1.0 1.0
   55    64    72    74   0.00000  1.0 1.0
   55    64    72    75   0.00000  1.0 1.0
   56    55    64    68   7.00000 -1.0 2.0
   56    55    64    72   7.00000 -1.0 2.0
   68    64    72    73   0.34800  1.0 3.0
   68    64    72    74   0.34800  1.0 3.0
   68    64    72    75   0.34800  1.0 3.0
   72    64    68    69   0.34800  1.0 3.0
   72    64    68    70   0.34800  1.0 3.0
   72    64    68    71   0.34800  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
   45    57    52    53  10.50000 -1.0 2.0
   49    56    55    64  15.00000 -1.0 2.0
   68    72    64    55  15.00000 -1.0 2.0
END
