* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    254     489
    1     0 S   NP   _N1_     1    29.04029    95.55694   -25.87680
    2     1 S   H    _HN1     2     1.02949    71.11608    18.10789
    3     1 S   H    _H1_     3     1.02828    36.01175  -164.45221
    4     1 S   H    _H2_     4     1.02788   118.37091   -83.05096
    5     1 S   CT   _CA1     5     1.50111   125.86044   120.09760
    6     5 S   HC   _HA1     6     1.09573   105.19571    96.76737
    7     5 S   CO3  _C1_     7     1.53783   112.41984   -23.47400
    8     7 S   O2Z  _O11     8     1.26371   115.01340   -43.69542
    9     7 S   O2Z  _O12     9     1.26235   114.94074   135.39176
   10     5 S   CT   _CB1    10     1.53072   107.41531  -145.26916
   11    10 S   HC   HB11    11     1.09835   109.37134   -49.72689
   12    10 S   HC   HB12    12     1.09812   110.45839    66.87562
   13    10 S   CT   _CG1    13     1.52996   112.60735  -170.69021
   14    13 S   HC   HG11    14     1.09583   110.65300   -65.65388
   15    13 S   HC   HG12    15     1.09669   109.77669    53.58411
   16    13 S   C    _CD1    16     1.51804   112.16357   174.04326
   17    16 S   O    _OE1    17     1.22739   123.25813     7.69672
   18    16 S   N    _N2_    18     1.38624   111.69862  -172.37447
   19    18 S   H    _HN2    19     1.01592   119.00858     1.58214
   20    18 S   CT1  _CA2    20     1.46242   123.44858   177.72996
   21    20 S   HC   _HA2    21     1.09734   109.33148     4.97768
   22    20 S   C    _C2_    22     1.53623   108.97123  -110.60372
   23    22 S   O    _O2_    23     1.23077   122.22606  -150.32209
   24    20 S   CT   _CB2    32     1.53399   111.36003   126.95833
   25    24 S   HC   HB21    33     1.09421   109.34531    56.14870
   26    24 S   HC   HB22    34     1.09426   109.95332   175.04267
   27    22 S   N    _N3_    24     1.38312   113.84938    37.24740
   28    27 S   H    _HN3    25     1.01560   119.57379    -3.49726
   29    24 S   S    _SG2    35     1.83148   111.08093   -65.21878
   30    27 S   CT   _CA3    26     1.45276   123.23610   177.13024
   31    30 S   HC   HA31    27     1.09548   107.52744   -64.40725
   32    30 S   HC   HA32    28     1.09557   107.97450    52.03797
   33    29 S   CT   _C13    36     1.87748   101.41380   172.19911
   34    30 S   CO3  _C3_    29     1.52961   114.06431   174.03655
   35    34 S   O2Z  _O31    30     1.26378   116.07424    -0.11014
   36    34 S   O2Z  _O32    31     1.26427   114.41414   179.94065
   37    33 S   CO4  _C11    37     1.52668   105.33077    61.98667
   38    37 S   O    _O24    38     1.23113   122.26684    62.63816
   39    33 S   CM   _C12    51     1.52724   109.66047   -62.71932
   40    33 S   CT   _C16    56     1.55923   106.43824   175.32387
   41    40 S   HC   _H36    57     1.09819   110.58567    57.32278
   42    40 S   HC   _H37    58     1.09944   110.09265   -58.90207
   43    37 S   CA   _C9_    39     1.47137   118.59396  -116.73029
   44    39 S   CT   _C14    52     1.53254   114.57900   -65.14151
   45    44 S   HC   _H30    53     1.09428   110.49974   -69.05415
   46    44 S   HC   _H31    54     1.09437   113.67893   171.02257
   47    44 S   HC   _H32    55     1.09355   111.52390    51.70643
   48    40 S   CT   _C18    59     1.53899   113.93642   179.95154
   49    48 S   HC   _H40    60     1.09550   110.37016   -59.33039
   50    48 S   HC   _H41    61     1.09609   109.99524    58.69106
   51    43 S   CA   _C7_    40     1.40825   117.77225   176.63524
   52    51 S   HA   _H29    41     1.08744   121.09185     0.40878
   53    48 S   CT   _C20    62     1.53091   111.08081   179.62258
   54    53 S   HC   _H44    63     1.09677   109.58320   -58.61232
   55    53 S   HC   _H45    64     1.09678   109.55507    58.72912
   56    51 S   CA   _C5_    42     1.39013   120.61040  -179.35806
   57    56 S   HA   _H27    43     1.08560   120.29384   179.91377
   58    53 S   CT   _C22    65     1.52959   111.30108  -179.94766
   59    58 S   HC   _H48    66     1.09681   109.56712   -58.63769
   60    58 S   HC   _H49    67     1.09681   109.56582    58.64699
   61    56 S   CA   _C4_    44     1.38542   119.34405     0.04846
   62    61 S   HA   _H26    45     1.08608   120.23055   179.89721
   63    58 S   CT   _C24    68     1.52951   111.32550  -180.00000
   64    63 S   HC   _H52    69     1.09681   109.56740   -58.64745
   65    63 S   HC   _H53    70     1.09681   109.56709    58.64082
   66    61 S   CA   _C6_    46     1.39843   119.86466    -0.09891
   67    66 S   HA   _H28    47     1.08885   116.68203   179.97202
   68    63 S   CT   _C25    71     1.52957   111.32615   179.97202
   69    68 S   HC   _H54    72     1.09681   109.56654    58.64482
   70    68 S   HC   _H55    73     1.09681   109.56669   -58.64198
   71    43 S   CA   _C8_    48     1.39896   120.68060    -2.83006
   72    68 S   CT   _C23    74     1.52958   111.32954  -180.00000
   73    72 S   HC   _H50    75     1.09681   109.56649    58.64436
   74    72 S   HC   _H51    76     1.09681   109.56665   -58.64266
   75    71 S   CMA  _C10    49     1.51657   123.74984    -0.97839
   76    75 S   OM   _O23    50     1.26984   118.64601  -176.87419
   77    72 S   CT   _C21    77     1.52960   111.33039  -180.00000
   78    77 S   HC   _H46    78     1.09682   109.56637    58.64227
   79    77 S   HC   _H47    79     1.09682   109.56642   -58.64382
   80    77 S   CT   _C19    80     1.52957   111.33291   180.00000
   81    80 S   HC   _H42    81     1.09684   109.57573   -58.63501
   82    80 S   HC   _H43    82     1.09684   109.57610    58.63519
   83    80 S   CT   _C17    83     1.52847   111.32868  -180.00000
   84    83 S   HC   _H38    84     1.09622   109.86602    58.86256
   85    83 S   HC   _H39    85     1.09622   109.86589   -58.86609
   86    83 S   CT   _C15    86     1.52036   111.49466   179.98022
   87    86 S   HC   _H33    87     1.09469   111.00114    60.26080
   88    86 S   HC   _H34    88     1.09449   110.26126  -180.00000
   89    86 S   HC   _H35    89     1.09469   111.00123   -60.25924
  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  11   5   4   3
  19   2   1   1  14   5  13  12   5   4  10   6   3   2   1   9
   5   4   8   4   9   5   4   6   3   9   5   4   5   3   9   5
   4   4   2   9   5   4   2   9   5   4   1   1   9   5   4   9
   5   4   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    75    39    44    40    41    42    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    51    71    75    76    39    44    45    46    47    40    41    42    48    49    50    53  
   35    36  
   36  
    0  
   38    43    51    52    56    66    71    75    39    44    40    41    42    48  
   43    51    71    39    40  
   44    45    46    47    40    41    42    48    43    66    71    75    76  
   41    42    48    49    50    53    54    55    58    43    44    75  
   42    48    49    50    53  
   48    49    50    53  
   51    52    56    57    61    66    67    71    75    76  
   45    46    47    71    75    76  
   46    47    75  
   47    75  
   75  
   49    50    53    54    55    58    59    60    63  
   50    53    54    55    58  
   53    54    55    58  
   52    56    57    61    62    66    71    75  
   56    57    61    71  
   54    55    58    59    60    63    64    65    68  
   55    58    59    60    63  
   58    59    60    63  
   57    61    62    66    67    71  
   61    62    66  
   59    60    63    64    65    68    69    70    72  
   60    63    64    65    68  
   63    64    65    68  
   62    66    67    71    75  
   66    67    71  
   64    65    68    69    70    72    73    74    77  
   65    68    69    70    72  
   68    69    70    72  
   67    71    75    76  
   71    75  
   69    70    72    73    74    77    78    79    80  
   70    72    73    74    77  
   72    73    74    77  
   75    76  
   73    74    77    78    79    80    81    82    83  
   74    77    78    79    80  
   77    78    79    80  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   76   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    51   469.000  1.400
   43    71   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   320.000  1.460
   75    76   745.000  1.250
   75    39   465.000  1.376
   39    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    75    70.00000  124.00000
   33    39    44    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    48    58.35000  112.70000
   37    43    51    60.00000  119.52600
   37    43    71    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    51    52    35.00000  120.00000
   43    51    56    63.00000  120.00000
   43    71    66    63.00000  120.00000
   43    71    75    60.00000  120.93500
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    66    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    71    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    71    75    60.00000  120.93500
   71    43    51    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    76    85.00000  114.86500
   71    75    39    60.00000  123.20500
   75    39    44    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    75    76    65.00000  137.10300
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    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
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    42    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    75   0.42700  1.0 1.0
   29    33    39    75  -0.70350 -1.0 2.0
   29    33    39    75  -0.43150  1.0 3.0
   29    33    39    44   0.30250  1.0 1.0
   29    33    39    44  -0.14950 -1.0 2.0
   29    33    39    44   0.36900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   0.20200  1.0 3.0
   33    37    43    51   2.26350  1.0 1.0
   33    37    43    51   0.76750 -1.0 2.0
   33    37    43    51   0.22500  1.0 3.0
   33    37    43    71   2.26350  1.0 1.0
   33    37    43    71   0.76750 -1.0 2.0
   33    37    43    71   0.22500  1.0 3.0
   33    39    44    45   0.34800  1.0 3.0
   33    39    44    46   0.34800  1.0 3.0
   33    39    44    47   0.34800  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   33    40    48    53   0.56750  1.0 1.0
   33    40    48    53  -0.07550 -1.0 2.0
   33    40    48    53   0.20000  1.0 3.0
   37    33    39    75  -0.51250  1.0 1.0
   37    33    39    75  -0.88800 -1.0 2.0
   37    33    39    75   0.08850  1.0 3.0
   37    33    39    44   0.17250  1.0 1.0
   37    33    39    44  -0.04100 -1.0 2.0
   37    33    39    44  -0.33850  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    48  -0.95700  1.0 1.0
   37    33    40    48  -0.18200 -1.0 2.0
   37    33    40    48   0.29450  1.0 3.0
   37    43    51    52   3.62500 -1.0 2.0
   37    43    51    56   3.62500 -1.0 2.0
   37    43    71    66   3.62500 -1.0 2.0
   37    43   -71    75   3.62500 -1.0 2.0
   38    37    43    51   1.05000 -1.0 2.0
   38    37    43    71   1.05000 -1.0 2.0
   43    51    56    57   3.62500 -1.0 2.0
   43    51    56    61   3.62500 -1.0 2.0
   43    71    75    76  -0.01750  1.0 1.0
   43    71    75    76  -0.32000 -1.0 2.0
   43    71    75    76   0.00600  1.0 3.0
   43    71    75    39   0.15800  1.0 1.0
   43    71    75    39   1.85350 -1.0 2.0
   43    71    75    39  -0.48700  1.0 3.0
   51    43    71    66   3.62500 -1.0 2.0
   51    43    71    75   3.62500 -1.0 2.0
   51    56    61    62   3.62500 -1.0 2.0
   51    56   -61    66   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    61   3.62500 -1.0 2.0
   56    61    66    67   3.62500 -1.0 2.0
   56    61    66    71   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    66   3.62500 -1.0 2.0
   61    66   -71    43   3.62500 -1.0 2.0
   61    66    71    75   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    71   3.62500 -1.0 2.0
   66    71    75    76  -0.01750  1.0 1.0
   66    71    75    76  -0.32000 -1.0 2.0
   66    71    75    76   0.00600  1.0 3.0
   66    71    75    39   0.15800  1.0 1.0
   66    71    75    39   1.85350 -1.0 2.0
   66    71    75    39  -0.48700  1.0 3.0
   67    66    71    43   3.62500 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   71    43    51    52   3.62500 -1.0 2.0
   71    43   -51    56   3.62500 -1.0 2.0
   71    75   -39    33   7.00000 -1.0 2.0
   71    75    39    44   7.00000 -1.0 2.0
   75    39    44    45   0.00000  1.0 1.0
   75    39    44    46   0.00000  1.0 1.0
   75    39    44    47   0.00000  1.0 1.0
   76    75    39    33   7.00000 -1.0 2.0
   76    75    39    44   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    48   0.34400  1.0 1.0
   39    33    40    48   0.09450 -1.0 2.0
   39    33    40    48   0.11100  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    43   0.05850 -1.0 2.0
   40    33    37    43   0.17250  1.0 3.0
   40    33    39    75   0.09850  1.0 1.0
   40    33    39    75   0.15250 -1.0 2.0
   40    33    39    75  -0.50650  1.0 3.0
   40    33    39    44   0.46850  1.0 1.0
   40    33    39    44   0.08550 -1.0 2.0
   40    33    39    44   0.09800  1.0 3.0
   40    48    53    54   0.15000  1.0 3.0
   40    48    53    55   0.15000  1.0 3.0
   40    48    53    58   0.56750  1.0 1.0
   40    48    53    58  -0.07550 -1.0 2.0
   40    48    53    58   0.20000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    53   0.15000  1.0 3.0
   42    40    48    49   0.15000  1.0 3.0
   42    40    48    50   0.15000  1.0 3.0
   42    40    48    53   0.15000  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    60   0.15000  1.0 3.0
   48    53    58    63   0.56750  1.0 1.0
   48    53    58    63  -0.07550 -1.0 2.0
   48    53    58    63   0.20000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    68   0.56750  1.0 1.0
   53    58    63    68  -0.07550 -1.0 2.0
   53    58    63    68   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   58    63    68    69   0.15000  1.0 3.0
   58    63    68    70   0.15000  1.0 3.0
   58    63    68    72   0.56750  1.0 1.0
   58    63    68    72  -0.07550 -1.0 2.0
   58    63    68    72   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68    72    74   0.15000  1.0 3.0
   63    68    72    77   0.56750  1.0 1.0
   63    68    72    77  -0.07550 -1.0 2.0
   63    68    72    77   0.20000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    72   0.15000  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80   0.56750  1.0 1.0
   68    72    77    80  -0.07550 -1.0 2.0
   68    72    77    80   0.20000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    77   0.15000  1.0 3.0
   72    77    80    81   0.15000  1.0 3.0
   72    77    80    82   0.15000  1.0 3.0
   72    77    80    83   0.56750  1.0 1.0
   72    77    80    83  -0.07550 -1.0 2.0
   72    77    80    83   0.20000  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.15000  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   51    71    43    37   4.00000 -1.0 2.0
   56    52    51    43   1.10000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   66    62    61    56   1.10000 -1.0 2.0
   71    67    66    61   1.10000 -1.0 2.0
   66    75    71    43   4.00000 -1.0 2.0
   71    76    75    39   1.10000 -1.0 2.0
   33    44    39    75   1.10000 -1.0 2.0
END
