* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    169    255     504
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02125   103.89965   -36.82513
    3     1 S   H    _H1_     3     1.02118    69.99602    68.33693
    4     1 S   H    _H2_     4     1.02098    43.21177  -139.42123
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83771    97.68646  -178.17437
   34    33 S   HC   _H9_    37     1.09695   105.08265   -36.10622
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C19    38     1.51355   107.79466    80.01497
   39    38 S   HC   _H21    39     1.08890   116.93843    46.02032
   40    33 S   CT   _C17    65     1.56004   113.80280  -154.14510
   41    40 S   HC   _H8_    66     1.09741   104.50097  -179.96044
   42    38 S   CM   _C20    40     1.34586   125.91748  -131.86097
   43    40 S   CT   _C21    67     1.53965   110.49215    66.55466
   44    43 S   HC   _H23    68     1.08407   109.24004   -67.36691
   45    43 S   HC   _H24    69     1.08482   109.19277   172.58770
   46    43 S   HC   _H25    70     1.08482   109.16045    52.65256
   47    42 S   OS   _O34    41     1.38645   119.89281    -2.15894
   48    42 S   OH   _O35    92     1.38743   119.85996   177.68193
   49    48 S   HO   _H22    93     0.96046   109.47700    -0.06853
   50    47 S   CT   _C6_    42     1.44090   116.46046  -163.92141
   51    50 S   HC   _H3_    43     1.09400   112.99522     3.85366
   52    50 S   CT   _C7_    44     1.55130   108.43238   123.10226
   53    52 S   HC   _H4_    45     1.09789   108.46773    58.06509
   54    50 S   CT   _C5_    85     1.52773   106.41675  -115.41125
   55    54 S   HC   _H13    86     1.09372   109.07262  -176.72398
   56    54 S   HC   _H14    87     1.09235   109.11805   -59.34927
   57    52 S   CM   _C8_    46     1.51450   109.63390   -60.53437
   58    57 S   HC   _H15    47     1.08826   116.72703   -47.20142
   59    52 S   CT   _C24    81     1.53049   112.51354   178.04906
   60    59 S   HC   _H33    82     1.08846   109.60806    60.03735
   61    59 S   HC   _H34    83     1.08730   109.64225   -59.89293
   62    59 S   HC   _H35    84     1.08785   109.69380  -179.96574
   63    54 S   CT   _C4_    88     1.49378   111.65832    62.03733
   64    63 S   HC   _H10    89     1.09659   109.54648   -59.09176
   65    63 S   HC   _H11    90     1.09460   110.87633  -178.25124
   66    63 S   HC   _H12    91     1.09475   110.94053    60.15883
   67    57 S   CM   _C9_    48     1.34196   123.56516   130.28050
   68    67 S   HC   _H16    49     1.08678   119.64079     2.90704
   69    67 S   CM   _C10    50     1.44455   122.79748  -173.57172
   70    69 S   HC   _H17    51     1.08582   116.48719     4.57415
   71    69 S   CM   _C11    52     1.33786   122.76476  -178.48962
   72    71 S   HC   _H18    53     1.08538   121.82829     5.56099
   73    71 S   CO4  _C12    54     1.49215   122.31395  -172.85919
   74    73 S   O    _O33    55     1.23117   118.07792  -147.60240
   75    73 S   CT   _C13    56     1.53910   119.30704    35.06550
   76    75 S   HC   _H5_    57     1.09622   107.18876   -62.18470
   77    75 S   CT   _C14    58     1.54955   110.51295    59.35245
   78    77 S   HC   _H19    59     1.09148   109.13767    -4.66657
   79    77 S   HC   _H20    60     1.09789   110.33753   110.44479
   80    75 S   CT   _C23    77     1.53215   110.06654  -178.03357
   81    80 S   HC   _H30    78     1.08727   109.56058   -63.90823
   82    80 S   HC   _H31    79     1.08698   109.54582   176.08198
   83    80 S   HC   _H32    80     1.08705   109.59438    56.06963
   84    77 S   CT   _C15    61     1.54730   113.53130  -126.55420
   85    84 S   HC   _H6_    62     1.09716   109.26516    44.72005
   86    84 S   CT   _C16    63     1.55667   113.24711   164.17591
   87    86 S   HC   _H7_    64     1.09418   106.70801   169.48895
   88    84 S   CT   _C22    73     1.53567   110.06094   -72.48554
   89    88 S   HC   _H27    74     1.08572   109.42773   -61.36916
   90    88 S   HC   _H28    75     1.08551   109.44277   178.62684
   91    88 S   HC   _H29    76     1.08683   109.39977    58.59679
   92    86 S   OH   _O36    71     1.42658   109.35678    55.30431
   93    92 S   HO   _H26    72     0.96957   106.52273  -179.96574
  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
  16   7   2   1   1  10   4  14   8   7   7   3   2   1  12   2
   1  17   8  14   8   8   5   4  10   4   4   2   1   1   3   2
   1   1   6   3   6   3   7   3  11   4  12   8  15   6   5   4
   2   1   1   9   7   7   3   4   2   1   1   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    86    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    84    86    87    40    41    43    44    45    46    92    48  
   38    39    42    86    40    41    43  
   36    37  
   37  
    0  
   39    42    47    50    86    40    41    43    48    49  
   42    47    40    48  
   41    43    44    45    46    92    93    88    42    77    84    85    86    87  
   43    44    45    46    92    84    86    87  
   47    50    51    52    54    48    49  
   44    45    46    92    84    86    87  
   45    46    86  
   46    86  
   86  
   50    51    52    53    57    59    54    55    56    63    48    49  
   49    50  
    0  
   51    52    53    57    58    67    59    60    61    62    54    55    56    63    64    65    66  
   52    53    57    59    54    55    56    63  
   53    57    58    67    68    69    59    60    61    62    54    55    56    63  
   57    58    67    59    60    61    62    54  
   55    56    63    64    65    66    57    59  
   56    63    64    65    66  
   63    64    65    66  
   58    67    68    69    70    71    59    60    61    62  
   67    68    69    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    77    80  
   73    74    75  
   74    75    76    77    78    79    84    80    81    82    83  
   75    76    77    80  
   76    77    78    79    84    85    86    88    80    81    82    83  
   77    78    79    84    80    81    82    83  
   78    79    84    85    86    87    92    88    89    90    91    80    81    82    83  
   79    84    85    86    88    80  
   84    85    86    88    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    92    93    88    89    90    91  
   86    87    92    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    47   440.000  1.360
   42    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    57   317.000  1.510
   52    59   268.000  1.529
   57    58   340.000  1.080
   57    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.462
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    40   268.000  1.529
   86    92   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   92    93   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    49   553.000  0.945
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    86    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    47    80.00000  120.01400
   38    42    48    80.00000  121.38400
   42    38    39    35.00000  120.00000
   42    47    50    90.00000  111.18400
   42    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    52    59    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    35.00000  117.00000
   52    57    67    70.00000  124.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   57    52    53    35.00000  109.50000
   57    67    68    35.00000  120.00000
   57    67    69    70.00000  123.01800
   67    57    58    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    65.00000  118.96000
   71    69    70    35.00000  120.00000
   71    73    74    80.00000  123.72100
   71    73    75    65.00000  118.62400
   73    71    72    40.00000  117.72500
   73    75    76    35.00000  109.50000
   73    75    77    63.00000  111.10000
   73    75    80    63.00000  111.10000
   75    73    74    80.00000  120.40000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    84    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   77    75    76    37.50000  110.70000
   77    84    85    37.50000  110.70000
   77    84    86    58.35000  112.70000
   77    84    88    58.35000  112.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    40    58.35000  112.70000
   84    86    92    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    40    41    37.50000  110.70000
   86    40    43    58.35000  112.70000
   86    92    93    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    86    87    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    40    50.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    57    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    42    47   115.00000  116.36000
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    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    86   0.44750  1.0 1.0
   29    33    40    86  -0.17800 -1.0 2.0
   29    33    40    86   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    86   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    86   0.34400  1.0 1.0
   38    33    40    86   0.09450 -1.0 2.0
   38    33    40    86   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    42    47    50  -2.26850  1.0 1.0
   38    42    47    50   3.39050 -1.0 2.0
   38    42    48    49  -0.66100  1.0 1.0
   38    42    48    49   1.20850 -1.0 2.0
   38    42    48    49  -0.36000  1.0 3.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52  -0.46850  1.0 1.0
   42    47    50    52   0.09300 -1.0 2.0
   42    47    50    52  -0.12850  1.0 3.0
   42    47    50    54  -0.46850  1.0 1.0
   42    47    50    54   0.09300 -1.0 2.0
   42    47    50    54  -0.12850  1.0 3.0
   47    42    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    57   0.61850  1.0 1.0
   47    50    52    57  -0.22750 -1.0 2.0
   47    50    52    57   0.15300  1.0 3.0
   47    50    52    59   0.62750  1.0 1.0
   47    50    52    59  -0.30950 -1.0 2.0
   47    50    52    59   0.27300  1.0 3.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    56   0.23400  1.0 3.0
   47    50    54    63   0.62750  1.0 1.0
   47    50    54    63  -0.30950 -1.0 2.0
   47    50    54    63   0.27300  1.0 3.0
   50    52    57    58   0.00000  1.0 1.0
   50    52    57    67   0.09850  1.0 1.0
   50    52    57    67   0.15250 -1.0 2.0
   50    52    57    67  -0.50650  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    62   0.15000  1.0 3.0
   50    54    63    64   0.15000  1.0 3.0
   50    54    63    65   0.15000  1.0 3.0
   50    54    63    66   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    63   0.56750  1.0 1.0
   52    50    54    63  -0.07550 -1.0 2.0
   52    50    54    63   0.20000  1.0 3.0
   52    57    67    68   7.00000 -1.0 2.0
   52    57    67    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    67   0.00000  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    62   0.15000  1.0 3.0
   57    67    69    70  -0.18600  1.0 3.0
   57    67    69    71   0.28850  1.0 1.0
   57    67    69    71   2.61350 -1.0 2.0
   57    67    69    71   0.78400  1.0 3.0
   58    57    67    68   7.00000 -1.0 2.0
   58    57    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    73   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    73    74   1.00000 -1.0 2.0
   69    71    73    75  -0.33500  1.0 1.0
   69    71    73    75   1.06600 -1.0 2.0
   69    71    73    75  -0.14000  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.65300  1.0 1.0
   71    73    75    77  -0.03850 -1.0 2.0
   71    73    75    77   0.33900  1.0 3.0
   71    73    75    80   0.65300  1.0 1.0
   71    73    75    80  -0.03850 -1.0 2.0
   71    73    75    80   0.33900  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.04550  1.0 1.0
   72    71    73    75   0.83000 -1.0 2.0
   72    71    73    75  -0.04000  1.0 3.0
   73    75    77    78  -0.11250  1.0 3.0
   73    75    77    79  -0.11250  1.0 3.0
   73    75    77    84  -0.95700  1.0 1.0
   73    75    77    84  -0.18200 -1.0 2.0
   73    75    77    84   0.29450  1.0 3.0
   73    75    80    81  -0.11250  1.0 3.0
   73    75    80    82  -0.11250  1.0 3.0
   73    75    80    83  -0.11250  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.30150 -1.0 2.0
   74    73    75    80   0.30150 -1.0 2.0
   75    77    84    85   0.15000  1.0 3.0
   75    77    84    86   0.56750  1.0 1.0
   75    77    84    86  -0.07550 -1.0 2.0
   75    77    84    86   0.20000  1.0 3.0
   75    77    84    88   0.56750  1.0 1.0
   75    77    84    88  -0.07550 -1.0 2.0
   75    77    84    88   0.20000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    84   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    83   0.15000  1.0 3.0
   77    84    86    87   0.15000  1.0 3.0
   77    84    86    40   0.56750  1.0 1.0
   77    84    86    40  -0.07550 -1.0 2.0
   77    84    86    40   0.20000  1.0 3.0
   77    84    86    92   0.86500  1.0 1.0
   77    84    86    92  -0.17500 -1.0 2.0
   77    84    86    92   0.20800  1.0 3.0
   77    84    88    89   0.15000  1.0 3.0
   77    84    88    90   0.15000  1.0 3.0
   77    84    88    91   0.15000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    88   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    88   0.15000  1.0 3.0
   84    86    40    33   0.56750  1.0 1.0
   84    86    40    33  -0.07550 -1.0 2.0
   84    86    40    33   0.20000  1.0 3.0
   84    86    40    41   0.15000  1.0 3.0
   84    86    40    43   0.56750  1.0 1.0
   84    86    40    43  -0.07550 -1.0 2.0
   84    86    40    43   0.20000  1.0 3.0
   84    86    92    93  -0.11600  1.0 1.0
   84    86    92    93  -0.09450 -1.0 2.0
   84    86    92    93   0.21250  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    40   0.15000  1.0 3.0
   85    84    86    92   0.23400  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    40    43    44   0.15000  1.0 3.0
   86    40    43    45   0.15000  1.0 3.0
   86    40    43    46   0.15000  1.0 3.0
   87    86    40    33   0.15000  1.0 3.0
   87    86    40    41   0.15000  1.0 3.0
   87    86    40    43   0.15000  1.0 3.0
   87    86    92    93   0.19450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    86    92    93  -0.11600  1.0 1.0
   40    86    92    93  -0.09450 -1.0 2.0
   40    86    92    93   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   92    86    40    33   0.86500  1.0 1.0
   92    86    40    33  -0.17500 -1.0 2.0
   92    86    40    33   0.20800  1.0 3.0
   92    86    40    41   0.23400  1.0 3.0
   92    86    40    43   0.86500  1.0 1.0
   92    86    40    43  -0.17500 -1.0 2.0
   92    86    40    43   0.20800  1.0 3.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    40   0.56750  1.0 1.0
   88    84    86    40  -0.07550 -1.0 2.0
   88    84    86    40   0.20000  1.0 3.0
   88    84    86    92   0.86500  1.0 1.0
   88    84    86    92  -0.17500 -1.0 2.0
   88    84    86    92   0.20800  1.0 3.0
   80    75    77    78   0.15000  1.0 3.0
   80    75    77    79   0.15000  1.0 3.0
   80    75    77    84   0.56750  1.0 1.0
   80    75    77    84  -0.07550 -1.0 2.0
   80    75    77    84   0.20000  1.0 3.0
   59    52    57    58   0.00000  1.0 1.0
   59    52    57    67   0.09850  1.0 1.0
   59    52    57    67   0.15250 -1.0 2.0
   59    52    57    67  -0.50650  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    57   0.34400  1.0 1.0
   54    50    52    57   0.09450 -1.0 2.0
   54    50    52    57   0.11100  1.0 3.0
   54    50    52    59   0.56750  1.0 1.0
   54    50    52    59  -0.07550 -1.0 2.0
   54    50    52    59   0.20000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   48    42    47    50   2.00000 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   47    48    42    38   1.10000 -1.0 2.0
   52    58    57    67   1.10000 -1.0 2.0
   69    68    67    57   1.10000 -1.0 2.0
   67    70    69    71   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
END
