* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    165    239     483
    1     0 S   NP   _N1_     1    28.87708    94.88436   -19.62686
    2     1 S   H    _HN1     2     1.02962    96.56895    38.37354
    3     1 S   H    _H1_     3     1.02831    35.32190   148.72128
    4     1 S   H    _H2_     4     1.02773    80.02573   -69.18277
    5     1 S   CT   _CA1     5     1.50187   143.64175   176.61887
    6     5 S   HC   _HA1     6     1.09576   105.17419    42.40706
    7     5 S   CO3  _C1_     7     1.53840   112.31388   -77.65815
    8     7 S   O2Z  _O11     8     1.26374   114.99488   -41.95180
    9     7 S   O2Z  _O12     9     1.26250   114.90742   136.80516
   10     5 S   CT   _CB1    10     1.53064   107.35928   160.26657
   11    10 S   HC   HB11    11     1.09818   109.30416   -49.51757
   12    10 S   HC   HB12    12     1.09829   110.40246    67.02473
   13    10 S   CT   _CG1    13     1.53015   112.75234  -170.68700
   14    13 S   HC   HG11    14     1.09527   110.29687   -62.01778
   15    13 S   HC   HG12    15     1.09632   110.19091    57.02131
   16    13 S   C    _CD1    16     1.51863   112.05447   176.86175
   17    16 S   O    _OE1    17     1.22759   123.06242   -16.02799
   18    16 S   N    _N2_    18     1.38568   111.87162   165.29244
   19    18 S   H    _HN2    19     1.01581   118.99219    -0.09279
   20    18 S   CT1  _CA2    20     1.46300   123.44882  -178.57097
   21    20 S   HC   _HA2    21     1.09727   109.42725   -13.78719
   22    20 S   C    _C2_    22     1.53400   108.17285  -129.55858
   23    22 S   O    _O2_    23     1.23014   122.32555  -145.20364
   24    20 S   CT   _CB2    32     1.53445   111.27453   108.41607
   25    24 S   HC   HB21    33     1.09304   109.15194    54.94557
   26    24 S   HC   HB22    34     1.09495   110.72680   173.65331
   27    22 S   N    _N3_    24     1.38537   113.32273    42.12356
   28    27 S   H    _HN3    25     1.01531   118.87247    -0.60393
   29    24 S   S    _SG2    35     1.82620   111.56147   -66.66799
   30    27 S   CT   _CA3    26     1.45438   123.41275   175.21586
   31    30 S   HC   HA31    27     1.09527   109.17446    25.51487
   32    30 S   HC   HA32    28     1.09494   107.13798   142.49695
   33    29 S   CT   _C14    36     1.89299   100.41949   166.12392
   34    33 S   HC   _H3_    37     1.09657   103.79917    32.50412
   35    30 S   CO3  _C3_    29     1.52923   113.15653   -97.92690
   36    35 S   O2Z  _O31    30     1.26401   115.42280   -44.46847
   37    35 S   O2Z  _O32    31     1.26359   114.97570   136.48189
   38    33 S   CT   _C13    38     1.58384   105.50615   -80.65144
   39    38 S   HC   _H35    39     1.09400   108.01453    31.56422
   40    33 S   CT   _C15    56     1.60915   110.76965   145.02024
   41    40 S   OM   _O20    57     1.32084   111.74467    61.92116
   42    38 S   CT   _C11    40     1.57760   114.50542   146.28904
   43    42 S   HC   _H33    41     1.08960   107.08961    33.91394
   44    40 S   CT   _C19    58     1.56748   108.52586   -54.04013
   45    44 S   HC   _H46    59     1.09648   113.89047    64.73612
   46    44 S   HC   _H47    60     1.09701   110.45399   -56.64498
   47    44 S   HC   _H48    61     1.09954   111.84607  -175.94276
   48    38 S   OS   _O24    83     1.43826   110.49441   -85.32267
   49    42 S   CT   _C12    42     1.57973   114.48232   152.90650
   50    49 S   HC   _H34    43     1.09772   107.96967    51.20244
   51    42 S   CT   _C22    73     1.57768   109.01621   -77.72360
   52    51 S   HC   _H55    74     1.09572   107.45796    36.26726
   53    48 S   CO4  _C7_    84     1.36330   118.90516   106.82409
   54    53 S   O    _O22    85     1.22340   126.81562     3.95928
   55    49 S   CT   _C9_    44     1.55980   116.42779   -71.42227
   56    55 S   HC   _H29    45     1.09692   111.19987  -156.31270
   57    55 S   HC   _H30    46     1.09551   108.94520    88.35895
   58    49 S   OS   _O23    66     1.45114   109.06942   168.74140
   59    51 S   CT   _C20    75     1.53441   113.38380   150.99870
   60    59 S   HC   _H49    76     1.09162   113.05953    73.35137
   61    59 S   HC   _H50    77     1.09486   111.00006   -48.71618
   62    59 S   HC   _H51    78     1.09612   109.98894  -167.32826
   63    51 S   CT   _C21    79     1.53178   114.17522   -81.47943
   64    63 S   HC   _H52    80     1.09312   112.20488   -69.84201
   65    63 S   HC   _H53    81     1.09582   110.16336   170.86395
   66    63 S   HC   _H54    82     1.09372   111.71634    51.69509
   67    53 S   CT   _C18    86     1.49859   109.51015  -177.10403
   68    67 S   HC   _H43    87     1.09232   109.82917   -69.82914
   69    67 S   HC   _H44    88     1.09378   109.30392   170.65435
   70    67 S   HC   _H45    89     1.09306   110.01502    52.12563
   71    55 S   CM   _C5_    47     1.51367   112.43520   -34.40198
   72    58 S   CO4  _C6_    67     1.36334   117.90635  -151.42314
   73    72 S   O    _O21    68     1.22302   126.45585     0.17246
   74    71 S   CM   _C4_    48     1.34467   117.53044    99.67044
   75    74 S   HC   _H26    49     1.08676   118.70768    11.97363
   76    71 S   CT   _C16    62     1.50260   116.62928   -72.35515
   77    76 S   HC   _H37    63     1.09535   109.80345   -53.49421
   78    76 S   HC   _H38    64     1.09280   112.77563  -172.21147
   79    76 S   HC   _H39    65     1.09342   111.37400    66.38525
   80    72 S   CT   _C17    69     1.49822   109.45855   179.87967
   81    80 S   HC   _H40    70     1.09272   109.78516   -64.95635
   82    80 S   HC   _H41    71     1.09374   109.36060   175.78467
   83    80 S   HC   _H42    72     1.09307   109.86249    56.94477
   84    74 S   CT   _C8_    50     1.49019   126.58033  -155.38859
   85    84 S   HC   _H27    51     1.09654   109.44026  -151.98856
   86    84 S   HC   _H28    52     1.09501   111.22531   -36.26757
   87    84 S   CT   _C10    53     1.55135   111.62470    85.31839
   88    87 S   HC   _H31    54     1.10087   103.73315  -174.96192
   89    87 S   HC   _H32    55     1.09663   109.52284   -65.68879
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  19   7  14   8  21   9   7   3   2   1   8
  15   7  11   8   5   4  12   5   4   7   7   3   2   1   3   2
   1   1   3   2   1   1  10   5   4  11   5   4   2   1   1   3
   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    87    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    84    87    88    89    40    41    44    45    46    47    51    48    53  
   38    39    42    87    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    49    50    55    87    40    41    44    58    51    52    59    63    48    53    54    67  
   42    43    49    40    51    48    53  
   41    44    45    46    47    48    42    74    84    85    86    87    88    89  
   44    45    46    47    84    87    88    89  
   43    49    50    55    56    57    71    58    72    51    52    59    60    61    62    63    64    65    66    48    53  
   49    50    55    58    51    52    59    63    48  
   45    46    47    84    87    88    89  
   46    47    87  
   47    87  
   87  
   53    54    67    68    69    70    49    51  
   50    55    56    57    71    74    76    58    72    73    80    51    52    59    63  
   55    56    57    71    58    72    51  
   52    59    60    61    62    63    64    65    66    55    58  
   59    60    61    62    63    64    65    66  
   54    67    68    69    70  
   67    68    69    70  
   56    57    71    74    75    84    76    77    78    79    58    72  
   57    71    74    76    58  
   71    74    76    58  
   72    73    80    81    82    83    71  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   74    75    84    85    86    87    76    77    78    79  
   73    80    81    82    83  
   80    81    82    83  
   75    84    85    86    87    88    89    76    77    78    79  
   84    85    86    87    76  
   77    78    79    84  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    48   320.000  1.410
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    71   317.000  1.510
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    72   214.000  1.327
   72    73   570.000  1.229
   72    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   51    52   340.000  1.090
   51    59   268.000  1.529
   51    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    53   214.000  1.327
   53    54   570.000  1.229
   53    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    87    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    51    58.35000  112.70000
   38    48    53    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    55    58.35000  112.70000
   42    49    58    50.00000  109.50000
   42    51    52    37.50000  110.70000
   42    51    59    58.35000  112.70000
   42    51    63    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    71    70.00000  112.02700
   49    58    72    83.00000  116.90000
   55    49    50    37.50000  110.70000
   55    71    74    70.00000  124.00000
   55    71    76    65.00000  117.92700
   57    55    56    33.00000  107.80000
   71    55    56    35.00000  109.50000
   71    55    57    35.00000  109.50000
   71    74    75    35.00000  120.00000
   71    74    84    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    70.00000  112.02700
   84    74    75    35.00000  117.00000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    40    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    40    41    50.00000  109.50000
   87    40    44    58.35000  112.70000
   89    87    88    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    87    88    37.50000  110.70000
   40    87    89    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    55    50.00000  109.50000
   58    72    73    83.00000  123.40000
   58    72    80    81.00000  111.40000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   80    72    73    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    49    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   51    63    66    37.50000  110.70000
   59    51    52    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    51    52    37.50000  110.70000
   63    51    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    42    50.00000  109.50000
   48    53    54    83.00000  123.40000
   48    53    67    81.00000  111.40000
   53    67    68    35.00000  109.50000
   53    67    69    35.00000  109.50000
   53    67    70    35.00000  109.50000
   67    53    54    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    87   0.44750  1.0 1.0
   29    33    40    87  -0.17800 -1.0 2.0
   29    33    40    87   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    38    48    53  -0.25900  1.0 1.0
   33    38    48    53  -0.47000 -1.0 2.0
   33    38    48    53   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    87   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    87   0.56750  1.0 1.0
   38    33    40    87  -0.07550 -1.0 2.0
   38    33    40    87   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    55   0.56750  1.0 1.0
   38    42    49    55  -0.07550 -1.0 2.0
   38    42    49    55   0.20000  1.0 3.0
   38    42    49    58   0.62750  1.0 1.0
   38    42    49    58  -0.30950 -1.0 2.0
   38    42    49    58   0.27300  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    59   0.56750  1.0 1.0
   38    42    51    59  -0.07550 -1.0 2.0
   38    42    51    59   0.20000  1.0 3.0
   38    42    51    63   0.56750  1.0 1.0
   38    42    51    63  -0.07550 -1.0 2.0
   38    42    51    63   0.20000  1.0 3.0
   38    48    53    54   3.00000 -1.0 2.0
   38    48    53    67   1.63150  1.0 1.0
   38    48    53    67   2.92000 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38    48    53   0.08050  1.0 3.0
   42    38    48    53  -0.25900  1.0 1.0
   42    38    48    53  -0.47000 -1.0 2.0
   42    38    48    53   0.11750  1.0 3.0
   42    49    55    56   0.15000  1.0 3.0
   42    49    55    57   0.15000  1.0 3.0
   42    49    55    71   0.34400  1.0 1.0
   42    49    55    71   0.09450 -1.0 2.0
   42    49    55    71   0.11100  1.0 3.0
   42    49    58    72  -0.25900  1.0 1.0
   42    49    58    72  -0.47000 -1.0 2.0
   42    49    58    72   0.11750  1.0 3.0
   42    51    59    60   0.15000  1.0 3.0
   42    51    59    61   0.15000  1.0 3.0
   42    51    59    62   0.15000  1.0 3.0
   42    51    63    64   0.15000  1.0 3.0
   42    51    63    65   0.15000  1.0 3.0
   42    51    63    66   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    55   0.15000  1.0 3.0
   43    42    49    58   0.23400  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    59   0.15000  1.0 3.0
   43    42    51    63   0.15000  1.0 3.0
   49    42    51    52   0.15000  1.0 3.0
   49    42    51    59   0.56750  1.0 1.0
   49    42    51    59  -0.07550 -1.0 2.0
   49    42    51    59   0.20000  1.0 3.0
   49    42    51    63   0.56750  1.0 1.0
   49    42    51    63  -0.07550 -1.0 2.0
   49    42    51    63   0.20000  1.0 3.0
   49    55    71    74   0.09850  1.0 1.0
   49    55    71    74   0.15250 -1.0 2.0
   49    55    71    74  -0.50650  1.0 3.0
   49    55    71    76   0.46850  1.0 1.0
   49    55    71    76   0.08550 -1.0 2.0
   49    55    71    76   0.09800  1.0 3.0
   49    58    72    73   3.00000 -1.0 2.0
   49    58    72    80   1.63150  1.0 1.0
   49    58    72    80   2.92000 -1.0 2.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    71   0.15000  1.0 3.0
   50    49    58    72   0.08050  1.0 3.0
   55    49    58    72  -0.25900  1.0 1.0
   55    49    58    72  -0.47000 -1.0 2.0
   55    49    58    72   0.11750  1.0 3.0
   55    71    74    75   7.00000 -1.0 2.0
   55    71    74    84   7.00000 -1.0 2.0
   55    71    76    77   0.34800  1.0 3.0
   55    71    76    78   0.34800  1.0 3.0
   55    71    76    79   0.34800  1.0 3.0
   56    55    71    74   0.00000  1.0 1.0
   56    55    71    76   0.34800  1.0 3.0
   57    55    71    74   0.00000  1.0 1.0
   57    55    71    76   0.34800  1.0 3.0
   71    74    84    85   0.00000  1.0 1.0
   71    74    84    86   0.00000  1.0 1.0
   71    74    84    87   0.09850  1.0 1.0
   71    74    84    87   0.15250 -1.0 2.0
   71    74    84    87  -0.50650  1.0 3.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   74    84    87    88   0.15000  1.0 3.0
   74    84    87    89   0.15000  1.0 3.0
   74    84    87    40   0.34400  1.0 1.0
   74    84    87    40   0.09450 -1.0 2.0
   74    84    87    40   0.11100  1.0 3.0
   75    74    84    85   0.33100  1.0 3.0
   75    74    84    86   0.33100  1.0 3.0
   75    74    84    87   0.00000  1.0 1.0
   84    87    40    33   0.56750  1.0 1.0
   84    87    40    33  -0.07550 -1.0 2.0
   84    87    40    33   0.20000  1.0 3.0
   84    87    40    41   0.62750  1.0 1.0
   84    87    40    41  -0.30950 -1.0 2.0
   84    87    40    41   0.27300  1.0 3.0
   84    87    40    44   0.56750  1.0 1.0
   84    87    40    44  -0.07550 -1.0 2.0
   84    87    40    44   0.20000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    40   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    40   0.15000  1.0 3.0
   87    40    44    45   0.15000  1.0 3.0
   87    40    44    46   0.15000  1.0 3.0
   87    40    44    47   0.15000  1.0 3.0
   88    87    40    33   0.15000  1.0 3.0
   88    87    40    41   0.23400  1.0 3.0
   88    87    40    44   0.15000  1.0 3.0
   89    87    40    33   0.15000  1.0 3.0
   89    87    40    41   0.23400  1.0 3.0
   89    87    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    48   0.62750  1.0 1.0
   40    33    38    48  -0.30950 -1.0 2.0
   40    33    38    48   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    84   7.00000 -1.0 2.0
   58    49    55    56   0.23400  1.0 3.0
   58    49    55    57   0.23400  1.0 3.0
   58    49    55    71   0.61850  1.0 1.0
   58    49    55    71  -0.22750 -1.0 2.0
   58    49    55    71   0.15300  1.0 3.0
   58    72    80    81   0.00000  1.0 1.0
   58    72    80    82   0.00000  1.0 1.0
   58    72    80    83   0.00000  1.0 1.0
   73    72    80    81   0.00000  1.0 1.0
   73    72    80    82   0.00000  1.0 1.0
   73    72    80    83   0.00000  1.0 1.0
   51    42    49    50   0.15000  1.0 3.0
   51    42    49    55   0.56750  1.0 1.0
   51    42    49    55  -0.07550 -1.0 2.0
   51    42    49    55   0.20000  1.0 3.0
   51    42    49    58   0.62750  1.0 1.0
   51    42    49    58  -0.30950 -1.0 2.0
   51    42    49    58   0.27300  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   52    51    63    66   0.15000  1.0 3.0
   59    51    63    64   0.15000  1.0 3.0
   59    51    63    65   0.15000  1.0 3.0
   59    51    63    66   0.15000  1.0 3.0
   63    51    59    60   0.15000  1.0 3.0
   63    51    59    61   0.15000  1.0 3.0
   63    51    59    62   0.15000  1.0 3.0
   48    38    42    43   0.23400  1.0 3.0
   48    38    42    49   0.62750  1.0 1.0
   48    38    42    49  -0.30950 -1.0 2.0
   48    38    42    49   0.27300  1.0 3.0
   48    38    42    51   0.62750  1.0 1.0
   48    38    42    51  -0.30950 -1.0 2.0
   48    38    42    51   0.27300  1.0 3.0
   48    53    67    68   0.00000  1.0 1.0
   48    53    67    69   0.00000  1.0 1.0
   48    53    67    70   0.00000  1.0 1.0
   54    53    67    68   0.00000  1.0 1.0
   54    53    67    69   0.00000  1.0 1.0
   54    53    67    70   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
   37    30    35    36  10.50000 -1.0 2.0
   55    76    71    74   1.10000 -1.0 2.0
   84    75    74    71   1.10000 -1.0 2.0
   58    80    72    73  10.50000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
END
