* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    150    231     449
    1     0 S   NP   _N1_     1    28.02268    97.05491   -23.71144
    2     1 S   H    _HN1     2     1.02835    33.64907   154.05965
    3     1 S   H    _H1_     3     1.02776   106.20897  -107.84934
    4     1 S   H    _H2_     4     1.02957    76.09217    -2.44968
    5     1 S   CT   _CA1     5     1.50120   135.67513   102.63242
    6     5 S   HC   _HA1     6     1.09575   105.22053    86.75815
    7     5 S   CO3  _C1_     7     1.53780   112.38628   -33.43760
    8     7 S   O2Z  _O11     8     1.26362   114.99730   -43.81814
    9     7 S   O2Z  _O12     9     1.26237   114.92544   135.32030
   10     5 S   CT   _CB1    10     1.53097   107.42872  -155.33489
   11    10 S   HC   HB11    11     1.09826   109.31612   -50.72559
   12    10 S   HC   HB12    12     1.09816   110.43420    65.82645
   13    10 S   CT   _CG1    13     1.53014   112.66966  -171.80861
   14    13 S   HC   HG11    14     1.09596   110.48336   -64.50538
   15    13 S   HC   HG12    15     1.09657   109.92485    54.69290
   16    13 S   C    _CD1    16     1.51836   112.33442   175.04856
   17    16 S   O    _OE1    17     1.22743   123.29557    -0.09691
   18    16 S   N    _N2_    18     1.38562   111.68509   179.94065
   19    18 S   H    _HN2    19     1.01553   118.97596     4.65674
   20    18 S   CT1  _CA2    20     1.45855   122.90624   177.75232
   21    20 S   HC   _HA2    21     1.09717   109.00415    23.04445
   22    20 S   C    _C2_    22     1.52896   106.82723   -94.10252
   23    22 S   O    _O2_    23     1.22994   122.95957   -27.95483
   24    20 S   CT   _CB2    32     1.53157   112.16349   146.26221
   25    24 S   HC   HB21    33     1.09509   110.12419    55.03523
   26    24 S   HC   HB22    34     1.09532   110.18811   173.89485
   27    22 S   N    _N3_    24     1.38473   112.66755   154.84290
   28    27 S   H    _HN3    25     1.01669   120.39696    -1.95935
   29    24 S   S    _SG2    35     1.82570   111.15899   -66.15157
   30    27 S   CT   _CA3    26     1.45372   122.40148   178.72160
   31    30 S   HC   HA31    27     1.09568   107.74962   -57.12892
   32    30 S   HC   HA32    28     1.09567   107.64765    59.17774
   33    29 S   CT   _C15    36     1.84623    99.39516   178.93046
   34    33 S   HC   _H11    37     1.09642   107.54607    39.04401
   35    30 S   CO3  _C3_    29     1.52876   114.39424  -178.98722
   36    35 S   O2Z  _O31    30     1.26325   116.06530     0.56752
   37    35 S   O2Z  _O32    31     1.26444   114.40432  -179.46992
   38    33 S   CT   _C16    38     1.54060   111.06849   157.13052
   39    38 S   HC   _H12    39     1.09931   108.39540  -174.27323
   40    38 S   OS   _O39    40     1.43894   111.18861    67.48310
   41    38 S   CO3  _C17    80     1.54338   116.75093   -58.46946
   42    41 S   O2Z  _O41    81     1.26431   115.83564   151.58808
   43    41 S   O2Z  _O40    82     1.26474   115.28076   -30.84973
   44    40 S   CO   _C12    41     1.43299   113.25725    62.73444
   45    44 S   HC   _H8_    42     1.09466   107.67845  -177.97774
   46    44 S   CT   _C13    43     1.53543   109.39531   -61.02697
   47    46 S   HC   _H9_    44     1.09673   107.73509   -65.10607
   48    44 S   OS   _O38    51     1.43054   113.00887    62.11346
   49    33 S   CT   _C14    45     1.54066   110.36641   -80.88935
   50    49 S   HC   _H10    46     1.09540   112.13874    49.32881
   51    46 S   OH   _O43    49     1.42523   110.31578   178.64376
   52    51 S   HO   _H23    50     0.97193   107.62895  -176.65438
   53    48 S   CT   _C7_    52     1.43009   114.54631    65.47846
   54    53 S   HC   _H4_    53     1.09839   109.35594   -42.92411
   55    49 S   OH   _O42    47     1.43260   108.85035   165.58706
   56    55 S   HO   _H22    48     0.97242   107.65000   -59.78002
   57    53 S   CT   _C6_    54     1.54142   112.74620    77.88931
   58    57 S   HC   _H3_    55     1.09534   110.13349   -67.98082
   59    57 S   CO   _C10    56     1.53794   109.05119   172.74956
   60    59 S   HC   _H7_    57     1.09750   109.79127    63.57178
   61    57 S   N    _N4_    72     1.46638   110.99665    50.47452
   62    61 S   H    _H16    73     1.01614   116.96962    65.87420
   63    59 S   OS   _O34    58     1.42733   110.63239   -56.95567
   64    59 S   OH   _O35    70     1.42388   109.41847  -178.91106
   65    64 S   HO   _H17    71     0.97185   106.70003  -159.48439
   66    61 S   C    _C5_    74     1.38205   123.69191  -111.67887
   67    66 S   O    _O33    75     1.22765   125.77107    -1.48438
   68    63 S   CT   _C9_    59     1.43811   112.68650    63.49381
   69    68 S   HC   _H6_    60     1.09792   107.76402    58.60722
   70    66 S   CT   _C4_    76     1.50440   112.25567   177.76288
   71    70 S   HC   _H13    77     1.09375   110.24465    50.29944
   72    70 S   HC   _H14    78     1.09346   109.70729   169.98908
   73    70 S   HC   _H15    79     1.09353   109.46623   -70.20973
   74    53 S   CT   _C8_    61     1.53819   107.69206  -158.92150
   75    74 S   HC   _H5_    62     1.09631   109.75562    62.97053
   76    68 S   CT   _C11    65     1.52860   107.48231   176.05261
   77    76 S   HC   _H18    66     1.09438   111.04785   170.78480
   78    76 S   HC   _H19    67     1.09485   111.45120    48.20090
   79    74 S   OH   _O37    63     1.43047   110.04227   -53.75801
   80    79 S   HO   _H21    64     0.97457   106.54535    50.42536
   81    76 S   OH   _O36    68     1.42542   109.04221   -70.49024
   82    81 S   HO   _H20    69     0.97239   106.96920   178.40370
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  12   6  11   4   1   1  13   6   9   6  12
   5   3   2   1  17   8   1   1  15   8  11   5  10   3  11   2
   1   5   4  10   7   3   2   1   1   7   3   5   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    49    50    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    55    56    51    41    42    43  
   38    39    40    46    49    50    55    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    55    48    41    42    43  
   40    44    49    41    42    43  
   44    45    46    47    49    51    48    53    41    42    43  
   42    43    44    49  
   43  
    0  
   45    46    47    49    50    55    51    52    48    53    54    57    74  
   46    47    49    51    48    53  
   47    49    50    55    56    51    52    48    53  
   49    50    55    51    52    48  
   53    54    57    58    59    68    74    75    79    61    49    51  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    60    63    68    69    74    75    79    80    76    64    61    62    66  
   57    58    59    68    74    75    79    61  
   56  
    0  
   58    59    60    63    68    74    75    79    64    65    61    62    66    67    70  
   59    60    63    74    64    61    62    66  
   60    63    68    69    74    76    64    65    61    62    66  
   63    68    64    65    61  
   62    66    67    70    71    72    73    63    64    74  
   66    67    70  
   68    69    74    75    79    76    77    78    81    64    65  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    79    80    76    77    78    81    82  
   74    75    79    76    77    78    81  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    76    77    78    81  
   79    80    76  
   77    78    81    82    79  
   78    81    82  
   81    82  
   80  
    0  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   320.000  1.380
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    74   268.000  1.529
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   337.000  1.449
   59    60   340.000  1.090
   59    63   320.000  1.380
   59    64   380.000  1.407
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    79   320.000  1.410
   79    80   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   64    65   553.000  0.945
   61    62   434.000  1.010
   61    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   41    42   656.000  1.250
   41    43   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    70.00000  109.69300
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    90.00000  108.56700
   40    44    48    92.60000  111.55000
   44    46    47    45.00000  108.72000
   44    46    49    75.00000  109.43000
   44    46    51    90.00000  111.58700
   44    48    53    60.00000  109.50000
   46    44    45    45.00000  112.01100
   46    49    50    37.50000  110.70000
   46    49    55    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    90.00000  108.56700
   48    53    54    35.00000  109.50000
   48    53    57    50.00000  109.50000
   48    53    74    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    75.00000  109.43000
   53    57    61    70.00000  110.72300
   53    74    68    58.35000  112.70000
   53    74    75    37.50000  110.70000
   53    74    79    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    59    60    45.00000  112.01100
   57    59    63    90.00000  108.56700
   57    59    64    90.00000  110.19100
   57    61    62    38.00000  118.40000
   57    61    66    50.00000  121.90000
   59    57    58    45.00000  108.72000
   59    63    68    60.00000  109.50000
   59    64    65    70.00000  107.92000
   63    59    60    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    74    50.00000  109.50000
   63    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    81    50.00000  109.50000
   74    53    54    37.50000  110.70000
   74    53    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    55.00000  108.50000
   79    74    75    35.00000  109.50000
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   64    59    60    60.00000  108.02500
   64    59    63   110.00000  112.08000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  110.72300
   61    66    67    80.00000  122.90000
   61    66    70    70.00000  116.60000
   66    61    62    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  109.63000
   43    41    42    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    46   0.56750  1.0 1.0
   38    33    49    46  -0.07550 -1.0 2.0
   38    33    49    46   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55   0.86500  1.0 1.0
   38    33    49    55  -0.17500 -1.0 2.0
   38    33    49    55   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    46   0.06250  1.0 1.0
   38    40   -44    46  -0.01100 -1.0 2.0
   38    40   -44    46   0.28050  1.0 3.0
   38    40    44    48  -0.81800  1.0 1.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    46    47   0.23400  1.0 3.0
   40    44    46    49   0.62750  1.0 1.0
   40    44    46    49  -0.30950 -1.0 2.0
   40    44    46    49   0.27300  1.0 3.0
   40    44    46    51   3.69350  1.0 1.0
   40    44    46    51  -1.82950 -1.0 2.0
   40    44    48    53  -0.53350  1.0 1.0
   40    44    48    53  -0.78350 -1.0 2.0
   40    44    48    53   0.33750  1.0 3.0
   44    46   -49    33   3.97050  1.0 1.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    55   0.86500  1.0 1.0
   44    46    49    55  -0.17500 -1.0 2.0
   44    46    49    55   0.20800  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   44    48    53    54   0.37050  1.0 3.0
   44    48    53    57   0.06250  1.0 1.0
   44    48    53    57  -0.01100 -1.0 2.0
   44    48    53    57   0.28050  1.0 3.0
   44    48    53    74   0.06250  1.0 1.0
   44    48    53    74  -0.01100 -1.0 2.0
   44    48    53    74   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    53   0.37050  1.0 3.0
   46    44    48    53   0.06250  1.0 1.0
   46    44    48    53  -0.01100 -1.0 2.0
   46    44    48    53   0.28050  1.0 3.0
   46    49    55    56  -0.11600  1.0 1.0
   46    49    55    56  -0.09450 -1.0 2.0
   46    49    55    56   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.62750  1.0 1.0
   49    33   -38    40  -0.30950 -1.0 2.0
   49    33   -38    40   0.27300  1.0 3.0
   49    33    38    41  -1.63150  1.0 1.0
   49    33    38    41  -0.43550 -1.0 2.0
   49    33    38    41   0.24500  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    55   3.75450  1.0 1.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    51   3.69350  1.0 1.0
   48    44    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.23400  1.0 3.0
   48    53    57    59   0.62750  1.0 1.0
   48    53    57    59  -0.30950 -1.0 2.0
   48    53    57    59   0.27300  1.0 3.0
   48    53    57    61   1.12100  1.0 1.0
   48    53    57    61  -0.16500 -1.0 2.0
   48    53    74    68   0.62750  1.0 1.0
   48    53    74    68  -0.30950 -1.0 2.0
   48    53    74    68   0.27300  1.0 3.0
   48    53    74    75   0.23400  1.0 3.0
   48    53    74    79   3.69350  1.0 1.0
   48    53    74    79  -1.82950 -1.0 2.0
   53    57    59    60   0.15000  1.0 3.0
   53    57    59    63   0.62750  1.0 1.0
   53    57    59    63  -0.30950 -1.0 2.0
   53    57    59    63   0.27300  1.0 3.0
   53    57    59    64   0.86500  1.0 1.0
   53    57    59    64  -0.17500 -1.0 2.0
   53    57    59    64   0.20800  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    66  -0.43950  1.0 1.0
   53    57    61    66  -0.08100 -1.0 2.0
   53    57    61    66   0.03350  1.0 3.0
   53    74    79    80  -0.11600  1.0 1.0
   53    74    79    80  -0.09450 -1.0 2.0
   53    74    79    80   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    74    68   0.15000  1.0 3.0
   54    53    74    75   0.15000  1.0 3.0
   54    53    74    79   0.23400  1.0 3.0
   57    53    74    68   0.56750  1.0 1.0
   57    53    74    68  -0.07550 -1.0 2.0
   57    53    74    68   0.20000  1.0 3.0
   57    53    74    75   0.15000  1.0 3.0
   57    53    74    79   0.86500  1.0 1.0
   57    53    74    79  -0.17500 -1.0 2.0
   57    53    74    79   0.20800  1.0 3.0
   57    59   -63    68   0.06250  1.0 1.0
   57    59   -63    68  -0.01100 -1.0 2.0
   57    59   -63    68   0.28050  1.0 3.0
   57    59    64    65  -0.11600  1.0 1.0
   57    59    64    65  -0.09450 -1.0 2.0
   57    59    64    65   0.21250  1.0 3.0
   57    61    66    67   3.04450 -1.0 2.0
   57    61    66    70   1.49850  1.0 1.0
   57    61    66    70   1.53950 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    66   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    66  -0.43950  1.0 1.0
   59    57    61    66  -0.08100 -1.0 2.0
   59    57    61    66   0.03350  1.0 3.0
   59    63    68    69   0.37050  1.0 3.0
   59    63    68    74   0.06250  1.0 1.0
   59    63    68    74  -0.01100 -1.0 2.0
   59    63    68    74   0.28050  1.0 3.0
   59    63    68    76   0.06250  1.0 1.0
   59    63    68    76  -0.01100 -1.0 2.0
   59    63    68    76   0.28050  1.0 3.0
   60    59    63    68   0.37050  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65  -0.50000  1.0 1.0
   63    59    64    65  -0.73950 -1.0 2.0
   63    59    64    65   0.17150  1.0 3.0
   63    68   -74    53   0.62750  1.0 1.0
   63    68   -74    53  -0.30950 -1.0 2.0
   63    68   -74    53   0.27300  1.0 3.0
   63    68    74    75   0.23400  1.0 3.0
   63    68    74    79   3.69350  1.0 1.0
   63    68    74    79  -1.82950 -1.0 2.0
   63    68    76    77   0.23400  1.0 3.0
   63    68    76    78   0.23400  1.0 3.0
   63    68    76    81   3.69350  1.0 1.0
   63    68    76    81  -1.82950 -1.0 2.0
   68    74    79    80  -0.11600  1.0 1.0
   68    74    79    80  -0.09450 -1.0 2.0
   68    74    79    80   0.21250  1.0 3.0
   68    76    81    82  -0.11600  1.0 1.0
   68    76    81    82  -0.09450 -1.0 2.0
   68    76    81    82   0.21250  1.0 3.0
   69    68    74    53   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    81   0.23400  1.0 3.0
   74    53    57    58   0.15000  1.0 3.0
   74    53   -57    59   3.97050  1.0 1.0
   74    53    57    61  -0.27100  1.0 1.0
   74    53    57    61  -0.01700 -1.0 2.0
   74    53    57    61  -0.48600  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    81   0.86500  1.0 1.0
   74    68    76    81  -0.17500 -1.0 2.0
   74    68    76    81   0.20800  1.0 3.0
   75    74    79    80   0.19450  1.0 3.0
   76    68    74    53   0.56750  1.0 1.0
   76    68    74    53  -0.07550 -1.0 2.0
   76    68    74    53   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    79   0.86500  1.0 1.0
   76    68    74    79  -0.17500 -1.0 2.0
   76    68    74    79   0.20800  1.0 3.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   64    59    63    68  -0.81800  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   1.12100  1.0 1.0
   61    57    59    63  -0.16500 -1.0 2.0
   61    57    59    64   2.76900  1.0 1.0
   61    57    59    64  -0.24350 -1.0 2.0
   61    57    59    64  -0.78250  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   62    61    66    67   2.45000 -1.0 2.0
   62    61    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   41    38    40    44  -1.11000  1.0 1.0
   41    38    40    44   0.50250 -1.0 2.0
   41    38    40    44   0.47450  1.0 3.0
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
   62    66    61    57   1.00000 -1.0 2.0
   61    70    66    67  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
