* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    152    225     436
    1     0 S   NP   _N1_     1    29.81957    92.39424   -25.22880
    2     1 S   H    _HN1     2     1.02959    91.57147    17.41393
    3     1 S   H    _H1_     3     1.02840    15.48984  -164.70599
    4     1 S   H    _H2_     4     1.02780   113.55891   -93.36802
    5     1 S   CT   _CA1     5     1.50103   118.42800   131.73636
    6     5 S   HC   _HA1     6     1.09571   105.27172    74.02413
    7     5 S   CO3  _C1_     7     1.53792   112.31839   -46.29857
    8     7 S   O2Z  _O11     8     1.26361   115.00179   -45.67897
    9     7 S   O2Z  _O12     9     1.26231   114.90837   133.53963
   10     5 S   CT   _CB1    10     1.53075   107.44594  -168.01424
   11    10 S   HC   HB11    11     1.09828   109.41391   -50.46479
   12    10 S   HC   HB12    12     1.09834   110.39914    66.07585
   13    10 S   CT   _CG1    13     1.53046   112.66323  -171.54464
   14    13 S   HC   HG11    14     1.09590   110.46696   -61.83915
   15    13 S   HC   HG12    15     1.09632   110.07745    57.49196
   16    13 S   C    _CD1    16     1.51712   112.08323   177.85260
   17    16 S   O    _OE1    17     1.22737   123.18951    -4.51735
   18    16 S   N    _N2_    18     1.38623   111.89711   175.68058
   19    18 S   H    _HN2    19     1.01580   119.04362     3.98939
   20    18 S   CT1  _CA2    20     1.46052   123.28424  -178.17587
   21    20 S   HC   _HA2    21     1.09617   109.34448     6.15817
   22    20 S   C    _C2_    22     1.53338   108.70224  -108.73006
   23    22 S   O    _O2_    23     1.23005   122.29209  -137.94943
   24    20 S   CT   _CB2    32     1.53421   111.74850   128.14531
   25    24 S   HC   HB21    33     1.09644   109.86960    64.37087
   26    24 S   HC   HB22    34     1.09588   110.39350  -178.36913
   27    22 S   N    _N3_    24     1.38518   113.28282    49.20720
   28    27 S   H    _HN3    25     1.01479   119.12638    -0.13848
   29    24 S   S    _SG2    35     1.83232   115.30079   -55.92136
   30    27 S   CT   _CA3    26     1.45425   123.29181   173.71575
   31    30 S   HC   HA31    27     1.09527   109.10857    27.34589
   32    30 S   HC   HA32    28     1.09483   107.16234   144.47605
   33    29 S   CT   _C19    36     1.83058    99.87365   -55.88782
   34    33 S   HC   _H3_    37     1.09406   108.11996   -48.45102
   35    33 S   HC   _H4_    38     1.09048   105.26112    68.35901
   36    30 S   CO3  _C3_    29     1.53014   113.22443   -95.90666
   37    36 S   O2Z  _O31    30     1.26392   115.57886   -38.54058
   38    36 S   O2Z  _O32    31     1.26377   114.85424   142.36192
   39    33 S   CT   _C13    39     1.54789   114.72425  -171.87945
   40    39 S   CT   _C8_    40     1.55042   110.71252    63.57648
   41    40 S   HC   _H26    41     1.09722   109.96686    57.18657
   42    40 S   HC   _H27    42     1.09599   110.78091   -60.91194
   43    39 S   OH   _O20    80     1.43335   109.11150   -54.12188
   44    43 S   HO   _H47    81     0.97376   107.51496    51.34022
   45    40 S   CT   _C7_    43     1.52417   112.60586   179.55589
   46    45 S   HC   _H24    44     1.09532   109.72981  -173.71503
   47    45 S   HC   _H25    45     1.09515   111.49798    67.00315
   48    45 S   CO4  _C4_    46     1.50740   110.38307   -53.44874
   49    48 S   O    _O17    47     1.23038   120.94030  -130.11711
   50    48 S   CT   _C9_    48     1.52804   115.92840    53.39291
   51    50 S   HC   _H28    49     1.09584   107.35488    66.46466
   52    39 S   CT   _C11    50     1.57910   111.15289  -173.94139
   53    50 S   OS   _O21    75     1.42735   108.87901  -173.86825
   54    52 S   C3T  _C12    51     1.55329   112.57049    56.35459
   55    52 S   OH   _O19    73     1.43845   107.37850   -63.99416
   56    55 S   HO   _H46    74     0.97472   106.68322  -171.37108
   57    53 S   CT   _C17    76     1.42157   112.95122   -91.72253
   58    57 S   HC   _H39    77     1.09321   108.27617   177.18457
   59    57 S   HC   _H40    78     1.09383   111.05356    57.97016
   60    57 S   HC   _H41    79     1.09428   110.20757   -64.30988
   61    54 S   C3T  _C10    52     1.54220   124.40163   -96.54366
   62    61 S   HC   _H29    53     1.08498   116.36032   154.11437
   63    54 S   CT   _C16    69     1.50939   118.05211    63.15931
   64    63 S   HC   _H36    70     1.09198   112.46387    43.01821
   65    63 S   HC   _H37    71     1.09413   110.43367   -78.81866
   66    63 S   HC   _H38    72     1.09649   111.31475   162.65798
   67    54 S   O3T  _O18    54     1.44043   113.72247  -161.97793
   68    61 S   CT   _C18    55     1.49796   127.15300    -0.83603
   69    68 S   HC   _H42    56     1.09450   111.32398   -59.64688
   70    68 S   HC   _H43    57     1.09431   109.20939    56.61208
   71    68 S   CM   _C5_    58     1.50635   113.92034   175.63489
   72    71 S   HC   _H23    59     1.09005   114.35840   -84.30148
   73    71 S   CM   _C6_    60     1.34643   127.30191    97.11472
   74    73 S   CT   _C14    61     1.50515   120.53983   178.24866
   75    74 S   HC   _H30    62     1.09493   110.28297   119.45454
   76    74 S   HC   _H31    63     1.09494   110.20171  -120.72911
   77    74 S   HC   _H32    64     1.09490   112.40916    -0.65492
   78    73 S   CT   _C15    65     1.50250   124.83479    -2.46657
   79    78 S   HC   _H33    66     1.09479   110.11108   114.53639
   80    78 S   HC   _H34    67     1.09537   110.06846  -126.10513
   81    78 S   HC   _H35    68     1.09265   113.38204    -6.50162
  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   7   5   4   3
  13   5   4   2   1   1  19  13   7   6   6   1   8   4   3   8
   4  13   5  13   6  13   4   1   3   2   1   1  12   6   5   3
   2   1   4   7   4   3  10   3   8   7   3   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    50    52    54    55    43    44  
   35    39    40    52    43  
   39    40    52    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    48    50    51    52    54    61    67    63    55    56    53    43    44  
   41    42    45    46    47    48    49    50    52    54    55    43    44  
   42    45    46    47    48    52    43  
   45    46    47    48    52    43  
   44    45    50    52    54    55  
   52  
   46    47    48    49    50    51    52    53  
   47    48    49    50  
   48    49    50  
   49    50    51    52    54    55    53    57  
   50    51    52    53  
   51    52    54    61    67    63    55    56    53    57    58    59    60  
   52    54    55    53    57  
   54    61    62    67    68    63    64    65    66    55    56    53    57  
   57    58    59    60    54    55  
   61    62    67    68    69    70    71    63    64    65    66    55    56  
   56    61    63    67  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62    67    68    69    70    71    72    73    63    64    65    66  
   67    68    69    70    71    63  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   0.0760  -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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    52   268.000  1.529
   39    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   320.000  1.410
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    61   260.000  1.509
   54    67   335.000  1.432
   54    63   275.000  1.510
   61    62   340.000  1.088
   61    67   335.000  1.432
   61    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   553.000  0.945
   53    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    45    58.35000  112.70000
   39    52    50    58.35000  112.70000
   39    52    54    70.00000  112.37300
   39    52    55    50.00000  109.50000
   39    43    44    55.00000  108.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    63.00000  111.10000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    80.00000  120.40000
   45    48    50    70.00000  116.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    52    63.00000  111.10000
   48    50    53    90.00000  108.74100
   50    48    49    80.00000  120.40000
   50    52    54    70.00000  112.37300
   50    52    55    50.00000  109.50000
   50    53    57    60.00000  109.50000
   52    39    40    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    61    60.00000  120.94000
   52    54    67    80.00000  116.47100
   52    54    63    58.35000  112.70000
   52    55    56    55.00000  108.50000
   54    61    62    37.50000  117.20000
   54    61    67    15.00000   60.43100
   54    61    68    60.00000  120.94000
   54    67    61    15.00000   59.14900
   54    63    64    45.00000  109.38400
   54    63    65    45.00000  109.38400
   54    63    66    45.00000  109.38400
   61    68    69    45.00000  109.38400
   61    68    70    45.00000  109.38400
   61    68    71    70.00000  112.02700
   67    54    61    15.00000   60.43100
   67    61    62    50.00000  114.27700
   68    61    62    40.00000  115.04500
   68    61    67    80.00000  116.47100
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   63    54    61    60.00000  120.94000
   63    54    67    80.00000  116.47100
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   55    52    54    50.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    50.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    52    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    45   0.56750  1.0 1.0
   33    39    40    45  -0.07550 -1.0 2.0
   33    39    40    45   0.20000  1.0 3.0
   33    39    52    50   0.56750  1.0 1.0
   33    39    52    50  -0.07550 -1.0 2.0
   33    39    52    50   0.20000  1.0 3.0
   33    39    52    54   0.47050  1.0 1.0
   33    39    52    54   0.03900 -1.0 2.0
   33    39    52    54   0.20100  1.0 3.0
   33    39    52    55   0.86500  1.0 1.0
   33    39    52    55  -0.17500 -1.0 2.0
   33    39    52    55   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    40    45    46   0.15000  1.0 3.0
   39    40    45    47   0.15000  1.0 3.0
   39    40    45    48  -0.95700  1.0 1.0
   39    40    45    48  -0.18200 -1.0 2.0
   39    40    45    48   0.29450  1.0 3.0
   39    52    54    61   0.07850  1.0 1.0
   39    52    54    61  -0.03950 -1.0 2.0
   39    52    54    61   0.67350  1.0 3.0
   39    52    54    67   0.02550  1.0 1.0
   39    52    54    67  -0.02600 -1.0 2.0
   39    52    54    67   1.20400  1.0 3.0
   39    52    54    63   0.56750  1.0 1.0
   39    52    54    63  -0.07550 -1.0 2.0
   39    52    54    63   0.20000  1.0 3.0
   39    52    55    56  -0.11600  1.0 1.0
   39    52    55    56  -0.09450 -1.0 2.0
   39    52    55    56   0.21250  1.0 3.0
   40    39    52    50   0.56750  1.0 1.0
   40    39    52    50  -0.07550 -1.0 2.0
   40    39    52    50   0.20000  1.0 3.0
   40    39    52    54   0.47050  1.0 1.0
   40    39    52    54   0.03900 -1.0 2.0
   40    39    52    54   0.20100  1.0 3.0
   40    39    52    55   0.86500  1.0 1.0
   40    39    52    55  -0.17500 -1.0 2.0
   40    39    52    55   0.20800  1.0 3.0
   40    39    43    44  -0.11600  1.0 1.0
   40    39    43    44  -0.09450 -1.0 2.0
   40    39    43    44   0.21250  1.0 3.0
   40    45    48    49   0.30150 -1.0 2.0
   40    45   -48    50   0.60050  1.0 1.0
   40    45   -48    50   0.05600 -1.0 2.0
   40    45   -48    50   0.26150  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48  -0.11250  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48  -0.11250  1.0 3.0
   45    48    50    51   0.00000  1.0 1.0
   45    48    50    52   0.60050  1.0 1.0
   45    48    50    52   0.05600 -1.0 2.0
   45    48    50    52   0.26150  1.0 3.0
   45    48    50    53   0.55300  1.0 1.0
   45    48    50    53   1.25850 -1.0 2.0
   45    48    50    53  -0.23600  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50   -52    39  -0.95700  1.0 1.0
   48    50   -52    39  -0.18200 -1.0 2.0
   48    50   -52    39   0.29450  1.0 3.0
   48    50    52    54  -0.95700  1.0 1.0
   48    50    52    54  -0.18200 -1.0 2.0
   48    50    52    54   0.29450  1.0 3.0
   48    50    52    55  -0.09450  1.0 1.0
   48    50    52    55  -1.12950 -1.0 2.0
   48    50    52    55   0.54000  1.0 3.0
   48    50    53    57  -1.11000  1.0 1.0
   48    50    53    57   0.50250 -1.0 2.0
   48    50    53    57   0.47450  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.30150 -1.0 2.0
   49    48    50    53   0.30150 -1.0 2.0
   50    52    54    61   0.07850  1.0 1.0
   50    52    54    61  -0.03950 -1.0 2.0
   50    52    54    61   0.67350  1.0 3.0
   50    52    54    67   0.02550  1.0 1.0
   50    52    54    67  -0.02600 -1.0 2.0
   50    52    54    67   1.20400  1.0 3.0
   50    52    54    63   0.56750  1.0 1.0
   50    52    54    63  -0.07550 -1.0 2.0
   50    52    54    63   0.20000  1.0 3.0
   50    52    55    56  -0.11600  1.0 1.0
   50    52    55    56  -0.09450 -1.0 2.0
   50    52    55    56   0.21250  1.0 3.0
   50    53    57    58   0.37050  1.0 3.0
   50    53    57    59   0.37050  1.0 3.0
   50    53    57    60   0.37050  1.0 3.0
   51    50    52    39   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.23400  1.0 3.0
   51    50    53    57   0.37050  1.0 3.0
   52    39    40    41   0.15000  1.0 3.0
   52    39    40    42   0.15000  1.0 3.0
   52    39   -40    45   0.56750  1.0 1.0
   52    39   -40    45  -0.07550 -1.0 2.0
   52    39   -40    45   0.20000  1.0 3.0
   52    39    43    44  -0.11600  1.0 1.0
   52    39    43    44  -0.09450 -1.0 2.0
   52    39    43    44   0.21250  1.0 3.0
   52    50    53    57   0.06250  1.0 1.0
   52    50    53    57  -0.01100 -1.0 2.0
   52    50    53    57   0.28050  1.0 3.0
   52    54    61    62   0.15000  1.0 3.0
   52    54   -61    67   0.02550  1.0 1.0
   52    54   -61    67  -0.02600 -1.0 2.0
   52    54   -61    67   1.20400  1.0 3.0
   52    54    61    68   0.56750  1.0 1.0
   52    54    61    68  -0.07550 -1.0 2.0
   52    54    61    68   0.20000  1.0 3.0
   52    54   -67    61   0.06250  1.0 1.0
   52    54   -67    61  -0.01100 -1.0 2.0
   52    54   -67    61   0.28050  1.0 3.0
   52    54    63    64   0.15000  1.0 3.0
   52    54    63    65   0.15000  1.0 3.0
   52    54    63    66   0.15000  1.0 3.0
   54    52    55    56  -0.11600  1.0 1.0
   54    52    55    56  -0.09450 -1.0 2.0
   54    52    55    56   0.21250  1.0 3.0
   54    61    68    69   0.15000  1.0 3.0
   54    61    68    70   0.15000  1.0 3.0
   54    61    68    71   0.34400  1.0 1.0
   54    61    68    71   0.09450 -1.0 2.0
   54    61    68    71   0.11100  1.0 3.0
   61    54    63    64   0.15000  1.0 3.0
   61    54    63    65   0.15000  1.0 3.0
   61    54    63    66   0.15000  1.0 3.0
   61    68    71    72   0.00000  1.0 1.0
   61    68    71    73   0.09850  1.0 1.0
   61    68    71    73   0.15250 -1.0 2.0
   61    68    71    73  -0.50650  1.0 3.0
   62    61   -67    54   0.36800  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   67    54   -61    62   0.23400  1.0 3.0
   67    54   -61    68   0.02550  1.0 1.0
   67    54   -61    68  -0.02600 -1.0 2.0
   67    54   -61    68   1.20400  1.0 3.0
   67    54    63    64   0.23400  1.0 3.0
   67    54    63    65   0.23400  1.0 3.0
   67    54    63    66   0.23400  1.0 3.0
   67    61    68    69   0.23400  1.0 3.0
   67    61    68    70   0.23400  1.0 3.0
   67    61    68    71   0.61850  1.0 1.0
   67    61    68    71  -0.22750 -1.0 2.0
   67    61    68    71   0.15300  1.0 3.0
   68    61   -67    54   0.06250  1.0 1.0
   68    61   -67    54  -0.01100 -1.0 2.0
   68    61   -67    54   0.28050  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   63    54    61    62   0.15000  1.0 3.0
   63    54   -61    67   0.02550  1.0 1.0
   63    54   -61    67  -0.02600 -1.0 2.0
   63    54   -61    67   1.20400  1.0 3.0
   63    54    61    68   0.56750  1.0 1.0
   63    54    61    68  -0.07550 -1.0 2.0
   63    54    61    68   0.20000  1.0 3.0
   63    54   -67    61   0.06250  1.0 1.0
   63    54   -67    61  -0.01100 -1.0 2.0
   63    54   -67    61   0.28050  1.0 3.0
   55    52    54    61   0.86500  1.0 1.0
   55    52    54    61  -0.17500 -1.0 2.0
   55    52    54    61   0.20800  1.0 3.0
   55    52    54    67   3.69350  1.0 1.0
   55    52    54    67  -1.82950 -1.0 2.0
   55    52    54    63   0.86500  1.0 1.0
   55    52    54    63  -0.17500 -1.0 2.0
   55    52    54    63   0.20800  1.0 3.0
   53    50    52    39   0.62750  1.0 1.0
   53    50    52    39  -0.30950 -1.0 2.0
   53    50    52    39   0.27300  1.0 3.0
   53    50    52    54  -0.26800  1.0 1.0
   53    50    52    54   0.69150 -1.0 2.0
   53    50    52    54  -0.48750  1.0 3.0
   53    50    52    55   3.69350  1.0 1.0
   53    50    52    55  -1.82950 -1.0 2.0
   43    39    40    41   0.23400  1.0 3.0
   43    39    40    42   0.23400  1.0 3.0
   43    39    40    45   0.86500  1.0 1.0
   43    39    40    45  -0.17500 -1.0 2.0
   43    39    40    45   0.20800  1.0 3.0
   43    39    52    50   0.86500  1.0 1.0
   43    39    52    50  -0.17500 -1.0 2.0
   43    39    52    50   0.20800  1.0 3.0
   43    39    52    54   0.86500  1.0 1.0
   43    39    52    54  -0.17500 -1.0 2.0
   43    39    52    54   0.20800  1.0 3.0
   43    39    52    55   3.75450  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
   38    30    36    37  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
