* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    144    219     426
    1     0 S   NP   _N1_     1    28.99263    94.21729   -23.37793
    2     1 S   H    _HN1     2     1.02775   105.07720   -68.92055
    3     1 S   H    _H1_     3     1.02960    79.36968    37.39690
    4     1 S   H    _H2_     4     1.02837    30.74883  -168.65301
    5     1 S   CT   _CA1     5     1.50114   134.93648   145.69102
    6     5 S   HC   _HA1     6     1.09575   105.23133    82.25037
    7     5 S   CO3  _C1_     7     1.53778   112.38358   -37.95666
    8     7 S   O2Z  _O11     8     1.26358   115.00152   -44.02007
    9     7 S   O2Z  _O12     9     1.26238   114.91976   135.16077
   10     5 S   CT   _CB1    10     1.53104   107.44795  -159.83791
   11    10 S   HC   HB11    11     1.09827   109.32903   -50.91087
   12    10 S   HC   HB12    12     1.09819   110.42302    65.63633
   13    10 S   CT   _CG1    13     1.53025   112.67072  -172.01318
   14    13 S   HC   HG11    14     1.09593   110.45523   -64.10963
   15    13 S   HC   HG12    15     1.09654   109.96025    55.11182
   16    13 S   C    _CD1    16     1.51822   112.32252   175.47914
   17    16 S   O    _OE1    17     1.22729   123.17662    -0.74808
   18    16 S   N    _N2_    18     1.38654   111.62193   179.38229
   19    18 S   H    _HN2    19     1.01599   118.99263    -0.60458
   20    18 S   CT1  _CA2    20     1.46079   123.35761   179.94766
   21    20 S   HC   _HA2    21     1.09429   108.39920   -21.51116
   22    20 S   C    _C2_    22     1.53364   108.76302  -135.25728
   23    22 S   O    _O2_    23     1.22967   122.45743  -143.85630
   24    20 S   CT   _CB2    32     1.53532   111.61083   101.37992
   25    24 S   HC   HB21    33     1.09653   109.58132    47.44059
   26    24 S   HC   HB22    34     1.09369   111.77066   164.75648
   27    22 S   N    _N3_    24     1.38615   112.96248    44.41555
   28    27 S   H    _HN3    25     1.01556   118.88039    -3.87813
   29    24 S   S    _SG2    35     1.83406   114.19275   -72.33235
   30    27 S   CT   _CA3    26     1.45407   123.43686   171.93452
   31    30 S   HC   HA31    27     1.09503   109.99495    18.24146
   32    30 S   HC   HA32    28     1.09514   107.17516   135.30045
   33    29 S   CT   _C11    36     1.84247   100.30426   -69.79538
   34    33 S   HC   _H3_    37     1.09264   106.57261    46.79750
   35    30 S   CO3  _C3_    29     1.52798   111.69509  -104.66537
   36    35 S   O2Z  _O31    30     1.26400   114.91795   -79.58400
   37    35 S   O2Z  _O32    31     1.26346   115.46818   100.03873
   38    33 S   CA   _C7_    38     1.51919   111.44082   -71.54039
   39    33 S   CT   _C12    54     1.53960   109.33725   161.92382
   40    39 S   HC   _H16    55     1.09600   112.18387    69.31077
   41    39 S   HC   _H17    56     1.09771   111.32354   -50.38816
   42    38 S   CA   _C8_    39     1.40184   121.98964   -71.21721
   43    42 S   HA   _H13    40     1.08687   120.73876     0.04846
   44    39 S   CO4  _C13    57     1.51401   111.40057  -169.31251
   45    44 S   O    _O35    58     1.22295   124.10972  -123.40645
   46    42 S   CA   _C9_    41     1.39424   120.56936   179.68973
   47    46 S   HA   _H14    42     1.08622   119.30085   179.85598
   48    44 S   OS   _O36    59     1.35967   109.41980    57.51011
   49    46 S   CA   _C10    43     1.39447   119.77195    -0.37846
   50    48 S   CT   _C14    60     1.44800   119.57694  -174.38455
   51    50 S   HC   _H4_    61     1.09614   109.10258   -32.29781
   52    49 S   CA   _C5_    44     1.39830   121.06979    -0.08847
   53    49 S   OH   _O34    52     1.37031   119.81113  -179.88131
   54    53 S   HO   _H15    53     0.97198   108.76087    -0.24708
   55    50 S   CT   _C15    62     1.53350   107.92899  -152.41981
   56    55 S   HC   _H5_    63     1.09740   108.36586   175.97625
   57    38 S   CA   _C6_    45     1.40903   119.27879   107.92271
   58    57 S   HA   _H12    46     1.08673   118.14266     0.38052
   59    52 S   OS   _O33    47     1.37052   116.19830  -179.46405
   60    55 S   CT   _C16    64     1.53591   111.83889   -63.98547
   61    60 S   HC   _H6_    65     1.09584   109.87883  -173.27072
   62    55 S   OH   _O41    80     1.42470   109.99999    59.09373
   63    62 S   HO   _H23    81     0.97269   107.58011   176.30578
   64    59 S   CT   _C4_    48     1.42297   117.13174   179.16937
   65    64 S   HC   _H9_    49     1.09424   107.73485  -178.43402
   66    64 S   HC   _H10    50     1.09400   110.92669    64.02089
   67    64 S   HC   _H11    51     1.09508   111.34242   -60.64041
   68    60 S   CT   _C17    66     1.53804   110.39331   -51.33018
   69    68 S   HC   _H7_    67     1.09756   110.22613   -66.81246
   70    60 S   OH   _O40    78     1.42823   110.63926    69.72253
   71    70 S   HO   _H22    79     0.97314   107.86436    41.56935
   72    68 S   OS   _O37    68     1.43835   110.61907    51.98322
   73    68 S   CT   _C19    73     1.52946   111.66921   171.31941
   74    73 S   HC   _H19    74     1.09423   110.94273    50.05265
   75    73 S   HC   _H20    75     1.09507   111.20514   -72.31115
   76    50 S   CO   _C18    69     1.53579   109.30980    90.38680
   77    76 S   HC   _H8_    70     1.09712   110.16389   178.95283
   78    73 S   OH   _O39    76     1.42495   109.53108   169.05028
   79    78 S   HO   _H21    77     0.97637   106.33669   176.52943
   80    76 S   OH   _O38    71     1.42149   109.71528   -63.08112
   81    80 S   HO   _H18    72     0.97184   106.80938  -163.20815
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  14   8   9   3   1  14   7   3   1   4  13   7   4   1   3
   2   1   1  12   7   3   1   8   5   3   2   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    76  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    72    76    77    80    62  
   52    57    58    59    64    53    54  
   51    55    56    60    61    68    72    76    77    80    81    70    62    63  
   55    56    60    72    76    77    80    62  
   57    58    59    64    65    66    67    53    54  
   54    57    59  
    0  
   56    60    61    68    69    72    76    77    80    73    70    71    62    63  
   60    61    68    76    70    62    63  
   58    59    64  
   59  
   64    65    66    67  
   61    68    69    72    76    73    74    75    78    70    71    62    63  
   68    69    72    73    70    71    62  
   63    68    70    76  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    72    76    77    80    73    74    75    78    79    70    71  
   72    76    73    74    75    78    70  
   71    72    73  
    0  
   76    77    80    81    73    74    75    78  
   74    75    78    79    76  
   75    78    79  
   78    79  
   77    80    81  
   80    81  
   79  
    0  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   81   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    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    76   250.000  1.527
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    70   320.000  1.410
   68    69   340.000  1.090
   68    72   320.000  1.410
   68    73   268.000  1.529
   72    76   320.000  1.380
   76    77   340.000  1.090
   76    80   380.000  1.407
   80    81   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   320.000  1.410
   78    79   553.000  0.945
   70    71   553.000  0.945
   62    63   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    64    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    76    90.00000  109.38000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    62    50.00000  109.50000
   50    76    72    90.00000  108.56700
   50    76    77    45.00000  112.01100
   50    76    80    90.00000  110.19100
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    68    58.35000  112.70000
   55    60    70    50.00000  109.50000
   55    62    63    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    72    50.00000  109.50000
   60    68    73    58.35000  112.70000
   60    70    71    55.00000  108.50000
   68    60    61    37.50000  110.70000
   68    72    76    60.00000  109.50000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    76    77    35.00000  109.50000
   72    76    80   110.00000  112.08000
   76    50    51    45.00000  108.72000
   76    50    55    75.00000  109.43000
   76    80    81    70.00000  107.92000
   80    76    77    60.00000  108.02500
   73    68    69    37.50000  110.70000
   73    68    72    50.00000  109.50000
   73    78    79    55.00000  108.50000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   70    60    61    35.00000  109.50000
   70    60    68    50.00000  109.50000
   62    55    56    35.00000  109.50000
   62    55    60    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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    64   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    64    65   0.08050  1.0 3.0
   52    59    64    66   0.08050  1.0 3.0
   52    59    64    67   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    64   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    76  -0.25900  1.0 1.0
   44    48    50    76  -0.47000 -1.0 2.0
   44    48    50    76   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    62   3.69350  1.0 1.0
   48    50    55    62  -1.82950 -1.0 2.0
   48    50    76    72   1.11900  1.0 1.0
   48    50    76    72  -1.16350 -1.0 2.0
   48    50    76    72  -0.34150  1.0 3.0
   48    50    76    77   0.23400  1.0 3.0
   48    50    76    80   3.69350  1.0 1.0
   48    50    76    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    68   0.56750  1.0 1.0
   50    55    60    68  -0.07550 -1.0 2.0
   50    55    60    68   0.20000  1.0 3.0
   50    55    60    70   0.86500  1.0 1.0
   50    55    60    70  -0.17500 -1.0 2.0
   50    55    60    70   0.20800  1.0 3.0
   50    55    62    63  -0.11600  1.0 1.0
   50    55    62    63  -0.09450 -1.0 2.0
   50    55    62    63   0.21250  1.0 3.0
   50    76    80    81  -0.11600  1.0 1.0
   50    76    80    81  -0.09450 -1.0 2.0
   50    76    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    62   0.23400  1.0 3.0
   51    50    76    72   0.23400  1.0 3.0
   51    50    76    77   0.15000  1.0 3.0
   51    50    76    80   0.23400  1.0 3.0
   55    50    76    72   0.62750  1.0 1.0
   55    50    76    72  -0.30950 -1.0 2.0
   55    50    76    72   0.27300  1.0 3.0
   55    50    76    77   0.15000  1.0 3.0
   55    50    76    80   0.86500  1.0 1.0
   55    50    76    80  -0.17500 -1.0 2.0
   55    50    76    80   0.20800  1.0 3.0
   55    60    68    69   0.15000  1.0 3.0
   55    60   -68    72   0.62750  1.0 1.0
   55    60   -68    72  -0.30950 -1.0 2.0
   55    60   -68    72   0.27300  1.0 3.0
   55    60    68    73   0.56750  1.0 1.0
   55    60    68    73  -0.07550 -1.0 2.0
   55    60    68    73   0.20000  1.0 3.0
   55    60    70    71  -0.11600  1.0 1.0
   55    60    70    71  -0.09450 -1.0 2.0
   55    60    70    71   0.21250  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    68   0.15000  1.0 3.0
   56    55    60    70   0.23400  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   60    55    62    63  -0.11600  1.0 1.0
   60    55    62    63  -0.09450 -1.0 2.0
   60    55    62    63   0.21250  1.0 3.0
   60    68    72    76   0.06250  1.0 1.0
   60    68    72    76  -0.01100 -1.0 2.0
   60    68    72    76   0.28050  1.0 3.0
   60    68    73    74   0.15000  1.0 3.0
   60    68    73    75   0.15000  1.0 3.0
   60    68    73    78   0.86500  1.0 1.0
   60    68    73    78  -0.17500 -1.0 2.0
   60    68    73    78   0.20800  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    72   0.23400  1.0 3.0
   61    60    68    73   0.15000  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   68    60    70    71  -0.11600  1.0 1.0
   68    60    70    71  -0.09450 -1.0 2.0
   68    60    70    71   0.21250  1.0 3.0
   68    72   -76    50   0.06250  1.0 1.0
   68    72   -76    50  -0.01100 -1.0 2.0
   68    72   -76    50   0.28050  1.0 3.0
   68    72    76    77   0.37050  1.0 3.0
   68    72    76    80  -0.81800  1.0 1.0
   68    73    78    79  -0.11600  1.0 1.0
   68    73    78    79  -0.09450 -1.0 2.0
   68    73    78    79   0.21250  1.0 3.0
   69    68    72    76   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.23400  1.0 3.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    78   3.69350  1.0 1.0
   72    68    73    78  -1.82950 -1.0 2.0
   72    76    80    81  -0.50000  1.0 1.0
   72    76    80    81  -0.73950 -1.0 2.0
   72    76    80    81   0.17150  1.0 3.0
   76    50    55    56   0.15000  1.0 3.0
   76    50   -55    60   3.97050  1.0 1.0
   76    50    55    62   0.86500  1.0 1.0
   76    50    55    62  -0.17500 -1.0 2.0
   76    50    55    62   0.20800  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   73    68    72    76   0.06250  1.0 1.0
   73    68    72    76  -0.01100 -1.0 2.0
   73    68    72    76   0.28050  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   75    73    78    79   0.19450  1.0 3.0
   70    60    68    69   0.23400  1.0 3.0
   70    60    68    72   3.69350  1.0 1.0
   70    60    68    72  -1.82950 -1.0 2.0
   70    60    68    73   0.86500  1.0 1.0
   70    60    68    73  -0.17500 -1.0 2.0
   70    60    68    73   0.20800  1.0 3.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    68   0.86500  1.0 1.0
   62    55    60    68  -0.17500 -1.0 2.0
   62    55    60    68   0.20800  1.0 3.0
   62    55    60    70   3.75450  1.0 1.0
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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
END
