* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    170    251     489
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02028   106.56608   -18.49766
    3     1 S   H    _H1_     3     1.02081    58.56064    83.62623
    4     1 S   H    _H2_     4     1.02157    53.57412  -119.83107
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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     1.86928    96.55384  -158.10645
   34    33 S   HC   _H3_    37     1.09684   106.32331    33.29231
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C13    38     1.51007   103.84567   -80.01142
   39    38 S   CMA  _C11    39     1.34999   123.18304   -97.51502
   40    39 S   OM   _O24    40     1.26122   131.14248   176.88555
   41    38 S   OS   _O28    86     1.38518   114.43996    80.76024
   42    39 S   CM   _C10    41     1.46231   117.66089    -6.02421
   43    42 S   HC   _H31    42     1.09029   117.66098   178.45035
   44    41 S   CT   _C25    87     1.40421   112.42225    91.70684
   45    44 S   HC   _H54    88     1.09268   109.52926  -179.98022
   46    44 S   HC   _H55    89     1.09267   109.51237    59.22724
   47    44 S   HC   _H56    90     1.09291   108.98828   -60.37287
   48    42 S   CM   _C12    43     1.35144   123.15425   -13.16014
   49    48 S   CT   _C18    44     1.52115   119.03760  -157.28119
   50    49 S   HC   _H40    45     1.10041   107.41116    -7.19326
   51    33 S   CT   _C20    59     1.58521   114.19600   154.26975
   52    49 S   CT   _C15    46     1.54200   114.63042  -123.40875
   53    52 S   HC   _H34    47     1.09671   111.69226  -118.32163
   54    52 S   HC   _H35    48     1.09860   107.74832   126.70758
   55    51 S   CT   _C16    60     1.56740   111.00855  -158.64265
   56    55 S   HC   _H36    61     1.09124   114.06561    61.74855
   57    55 S   HC   _H37    62     1.10097   109.49097   -54.67420
   58    49 S   NT   _N23    66     1.48209   108.01350   105.38393
   59    52 S   CT   _C14    49     1.52611   114.42033     6.08360
   60    59 S   HC   _H32    50     1.09760   107.75166   161.45174
   61    59 S   HC   _H33    51     1.09621   113.11642    45.51249
   62    55 S   CT   _C17    63     1.54829   112.27114  -174.61122
   63    62 S   HC   _H38    64     1.09765   107.41242   177.23211
   64    62 S   HC   _H39    65     1.09639   110.32024   -66.74294
   65    58 S   CT   _C21    67     1.45765   114.21873  -177.10768
   66    65 S   HC   _H42    68     1.09278   110.09894    48.50583
   67    65 S   HC   _H43    69     1.09348   110.25278   -71.53196
   68    65 S   HC   _H44    70     1.09387   110.24129   168.44669
   69    59 S   CA   _C5_    52     1.50736   109.80233   -78.87653
   70    69 S   CA   _C4_    53     1.41189   116.88711  -116.73955
   71    70 S   HA   _H30    54     1.08893   119.84822    -2.08469
   72    70 S   CA   _C7_    55     1.39152   121.61141   177.21885
   73    72 S   CA   _C9_    56     1.38500   119.43039    -0.04423
   74    72 S   OS   _O25    81     1.36047   119.63067  -179.82417
   75    73 S   CA   _C8_    57     1.39451   119.74474     0.47105
   76    73 S   OS   _O27    76     1.36347   119.72315   179.82983
   77    74 S   CT   _C22    82     1.42695   117.09070    89.82050
   78    77 S   HC   _H45    83     1.09218   109.52241  -179.96574
   79    77 S   HC   _H46    84     1.09256   109.55341    59.18600
   80    77 S   HC   _H47    85     1.09317   108.96641   -60.41121
   81    69 S   CA   _C6_    58     1.41234   123.39557    61.00405
   82    75 S   OS   _O26    71     1.36877   115.05141   177.26069
   83    76 S   CT   _C24    77     1.42623   116.97547   -90.01146
   84    83 S   HC   _H51    78     1.09250   109.52440  -179.95154
   85    83 S   HC   _H52    79     1.09314   109.49941    59.24703
   86    83 S   HC   _H53    80     1.09226   109.00455   -60.38906
   87    82 S   CT   _C23    72     1.42300   116.75992    62.49566
   88    87 S   HC   _H48    73     1.09326   109.52055  -179.96574
   89    87 S   HC   _H49    74     1.09286   109.57831    59.20929
   90    87 S   HC   _H50    75     1.09307   108.99805   -60.43339
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  16
  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2   1
   3   2   1   1   8   8   4  11  11   6   8   6   3   2   1   1
   2   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    81    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    69    75    81    51    55    56    57    62    41    44  
   38    39    48    81    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    81    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    81    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    69    75    81    51    55    56    57    62    58    65  
   50    52    53    54    59    60    61    69    81    51    55    62    63    64    58    65    66    67    68  
   52    53    54    59    51    62    58    65  
   55    56    57    62    63    64    58    82    52    59    69    70    73    75    81  
   53    54    59    60    61    69    70    81    62    58    65  
   54    59    60    61    69    58  
   59    60    61    69    58  
   56    57    62    63    64    58    65    69    75    81  
   57    62    63    64    58    81  
   62    63    64    58    81  
   65    66    67    68    59    62    63    64  
   60    61    69    70    71    72    75    81  
   61    69    70    81  
   69    70    81  
   63    64    65    66    67    68    81  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    75    81    82    74  
   71    72    73    75    81    76    74    77  
   72    73    81    74  
   73    75    81    82    76    83    74    77    78    79    80  
   75    81    82    87    76    83    84    85    86    74    77  
   77    78    79    80    75    76  
   81    82    87    88    89    90    76    83  
   83    84    85    86    81    82  
   78    79    80  
   79    80  
   80  
    0  
   82    87  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.510
   69    70   469.000  1.400
   69    81   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    76   450.000  1.364
   75    81   469.000  1.400
   75    82   450.000  1.364
   81    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    58   382.000  1.448
   58    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   82    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    81    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    81    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    58.35000  112.70000
   49    58    62    51.80000  107.20000
   49    58    65    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    69    70.00000  112.17500
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    69    70    70.00000  120.00000
   59    69    81    70.00000  120.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    81    75    63.00000  120.00000
   69    81    51    70.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    76    70.00000  120.00000
   72    74    77    75.00000  111.00000
   73    75    81    63.00000  120.00000
   73    75    82    70.00000  120.00000
   73    76    83    75.00000  111.00000
   75    81    51    70.00000  120.00000
   75    82    87    75.00000  111.00000
   81    69    70    63.00000  120.00000
   81    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    58    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   82    75    81    70.00000  120.00000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   76    73    75    70.00000  120.00000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    72    73    70.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    81   0.56750  1.0 1.0
   29    33    51    81  -0.07550 -1.0 2.0
   29    33    51    81   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    62   0.56750  1.0 1.0
   33    51    55    62  -0.07550 -1.0 2.0
   33    51    55    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    81   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    81   0.21200  1.0 1.0
   38    33    51    81   0.16900 -1.0 2.0
   38    33    51    81  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    81   1.44450  1.0 1.0
   42    48    51    81   0.06600 -1.0 2.0
   42    48    51    81   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.34400  1.0 1.0
   48    49    52    59   0.09450 -1.0 2.0
   48    49    52    59   0.11100  1.0 3.0
   48    49    58    62  -0.60800  1.0 1.0
   48    49    58    62   1.10050 -1.0 2.0
   48    49    58    62   0.47000  1.0 3.0
   48    49    58    65  -0.60800  1.0 1.0
   48    49    58    65   1.10050 -1.0 2.0
   48    49    58    65   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    62   0.34400  1.0 1.0
   48    51   -55    62   0.09450 -1.0 2.0
   48    51   -55    62   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    81   0.09700  1.0 1.0
   49    48    51    81   0.15600 -1.0 2.0
   49    48    51    81  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    60   0.15000  1.0 3.0
   49    52    59    61   0.15000  1.0 3.0
   49    52    59    69  -0.03700  1.0 1.0
   49    52    59    69   0.37200 -1.0 2.0
   49    52    59    69  -0.47300  1.0 3.0
   49    58    65    66   0.28000  1.0 3.0
   49    58    65    67   0.28000  1.0 3.0
   49    58    65    68   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    58    62   0.28000  1.0 3.0
   50    49    58    65   0.28000  1.0 3.0
   52    49    58    62   0.23450  1.0 1.0
   52    49    58    62   0.02050 -1.0 2.0
   52    49    58    62   0.25250  1.0 3.0
   52    49    58    65   0.23450  1.0 1.0
   52    49    58    65   0.02050 -1.0 2.0
   52    49    58    65   0.25250  1.0 3.0
   52    59    69    70   0.04150 -1.0 2.0
   52    59    69    81   0.04150 -1.0 2.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    69   0.43200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    69   0.43200  1.0 3.0
   59    69    70    71   3.62500 -1.0 2.0
   59    69    70    72   3.62500 -1.0 2.0
   59    69    81    75   3.62500 -1.0 2.0
   59    69    81    51   3.62500 -1.0 2.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    69    81   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   61    59    69    81   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   69    81    51    33   0.04150 -1.0 2.0
   69    81    51    48   0.18050 -1.0 2.0
   69    81    51    55   0.04150 -1.0 2.0
   70    69    81    75   3.62500 -1.0 2.0
   70    69    81    51   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    74    77   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    81   3.62500 -1.0 2.0
   72    73    75    82   3.62500 -1.0 2.0
   72    73    76    83   1.63200 -1.0 2.0
   72    74    77    78   0.08050  1.0 3.0
   72    74    77    79   0.08050  1.0 3.0
   72    74    77    80   0.08050  1.0 3.0
   73    72    74    77   1.63200 -1.0 2.0
   73    75   -81    69   3.62500 -1.0 2.0
   73    75    81    51   3.62500 -1.0 2.0
   73    75    82    87   1.63200 -1.0 2.0
   73    76    83    84   0.08050  1.0 3.0
   73    76    83    85   0.08050  1.0 3.0
   73    76    83    86   0.08050  1.0 3.0
   75    73    76    83   1.63200 -1.0 2.0
   75    81    51    33   0.04150 -1.0 2.0
   75    81    51    48   0.18050 -1.0 2.0
   75    81    51    55   0.04150 -1.0 2.0
   75    82    87    88   0.08050  1.0 3.0
   75    82    87    89   0.08050  1.0 3.0
   75    82    87    90   0.08050  1.0 3.0
   81    69    70    71   3.62500 -1.0 2.0
   81    69   -70    72   3.62500 -1.0 2.0
   81    75    82    87   1.63200 -1.0 2.0
   81    51    55    56   0.43200  1.0 3.0
   81    51    55    57   0.43200  1.0 3.0
   81    51    55    62  -0.03700  1.0 1.0
   81    51    55    62   0.37200 -1.0 2.0
   81    51    55    62  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48    49    52   0.46850  1.0 1.0
   51    48    49    52   0.08550 -1.0 2.0
   51    48    49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   51    55   -62    58   1.53400  1.0 1.0
   51    55   -62    58  -0.09950 -1.0 2.0
   51    55   -62    58   0.05700  1.0 3.0
   55    62   -58    49   0.23450  1.0 1.0
   55    62   -58    49   0.02050 -1.0 2.0
   55    62   -58    49   0.25250  1.0 3.0
   55    62    58    65   0.58650  1.0 1.0
   55    62    58    65   0.12600 -1.0 2.0
   55    62    58    65   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    58   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    58   0.15000  1.0 3.0
   62    58    65    66   0.28000  1.0 3.0
   62    58    65    67   0.28000  1.0 3.0
   62    58    65    68   0.28000  1.0 3.0
   63    62    58    49   0.28000  1.0 3.0
   63    62    58    65   0.28000  1.0 3.0
   64    62    58    49   0.28000  1.0 3.0
   64    62    58    65   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   1.53400  1.0 1.0
   58    49    52    59  -0.09950 -1.0 2.0
   58    49    52    59   0.05700  1.0 3.0
   82    75    81    69   3.62500 -1.0 2.0
   82    75    81    51   3.62500 -1.0 2.0
   76    73    75    81   3.62500 -1.0 2.0
   76    73    75    82   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   70    81    69    59   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    76    73    72   4.00000 -1.0 2.0
   81    82    75    73   4.00000 -1.0 2.0
   75    51    81    69   4.00000 -1.0 2.0
END
