* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    145    225     433
    1     0 S   NP   _N1_     1    28.70242    94.18043   -22.09735
    2     1 S   H    _HN1     2     1.02780    96.33636   -84.35868
    3     1 S   H    _H1_     3     1.02959    89.55605    24.02262
    4     1 S   H    _H2_     4     1.02838    26.04504   157.18678
    5     1 S   CT   _CA1     5     1.50114   136.29528   143.79275
    6     5 S   HC   _HA1     6     1.09575   105.24130    65.43344
    7     5 S   CO3  _C1_     7     1.53783   112.33961   -54.79419
    8     7 S   O2Z  _O11     8     1.26359   115.00585   -45.34811
    9     7 S   O2Z  _O12     9     1.26237   114.90874   133.81147
   10     5 S   CT   _CB1    10     1.53090   107.43015  -176.67852
   11    10 S   HC   HB11    11     1.09826   109.33753   -50.95650
   12    10 S   HC   HB12    12     1.09820   110.42419    65.58553
   13    10 S   CT   _CG1    13     1.53018   112.67088  -172.05624
   14    13 S   HC   HG11    14     1.09596   110.44765   -63.50862
   15    13 S   HC   HG12    15     1.09649   109.99652    55.72751
   16    13 S   C    _CD1    16     1.51808   112.26842   176.07464
   17    16 S   O    _OE1    17     1.22736   123.24705    -2.08140
   18    16 S   N    _N2_    18     1.38653   111.68493   178.04275
   19    18 S   H    _HN2    19     1.01591   119.08770     1.00503
   20    18 S   CT1  _CA2    20     1.46123   123.24721  -179.93744
   21    20 S   HC   _HA2    21     1.09729   109.23851    -9.39609
   22    20 S   C    _C2_    22     1.53414   108.60531  -124.72753
   23    22 S   O    _O2_    23     1.23018   122.21398  -146.17226
   24    20 S   CT   _CB2    32     1.53559   111.79887   112.53022
   25    24 S   HC   HB21    33     1.09564   109.83403    55.56791
   26    24 S   HC   HB22    34     1.09197   109.53285   173.92691
   27    22 S   N    _N3_    24     1.38490   113.39830    41.37794
   28    27 S   H    _HN3    25     1.01513   118.95140    -0.73568
   29    24 S   S    _SG2    35     1.83265   111.38394   -64.51536
   30    27 S   CT   _CA3    26     1.45439   123.38844   174.59249
   31    30 S   HC   HA31    27     1.09525   109.18309    25.71656
   32    30 S   HC   HA32    28     1.09492   107.14591   142.74951
   33    29 S   CT   _C15    36     1.85035   103.65700  -158.62155
   34    30 S   CO3  _C3_    29     1.52943   113.12325   -97.68879
   35    34 S   O2Z  _O31    30     1.26402   115.42944   -43.43557
   36    34 S   O2Z  _O32    31     1.26358   114.96190   137.49567
   37    33 S   CO4  _C7_    37     1.51904   108.47075   -31.21725
   38    37 S   O    _O19    38     1.22319   126.23039   -63.77409
   39    33 S   CT   _C9_    56     1.56606   108.88494  -145.02769
   40    39 S   HC   _H25    57     1.09879   108.85467   169.32834
   41    39 S   HC   _H26    58     1.10270   108.07064    59.54322
   42    37 S   OS   _O20    39     1.35718   110.52478   115.26352
   43    42 S   CO4  _C6_    40     1.35466   111.75054     3.45298
   44    43 S   O    _O18    41     1.22172   123.84503  -177.20754
   45    33 S   CT   _C13    42     1.54456   118.15680    84.44413
   46    45 S   HC   _H31    43     1.09865   107.54254   145.66164
   47    45 S   CT   _C14    44     1.56069   123.74560    20.82322
   48    47 S   HC   _H32    45     1.10086   105.20000   178.45161
   49    47 S   CT   _C12    46     1.54460   111.59664    63.13590
   50    49 S   HC   _H30    47     1.09133   111.22243   -60.61826
   51    47 S   CT   _C18    69     1.55043   115.24562   -66.48692
   52    51 S   HC   _H39    70     1.09297   110.20503   -21.96095
   53    51 S   HC   _H40    71     1.09536   110.36967    96.46952
   54    49 S   CO4  _C5_    48     1.52029   111.21498    63.30420
   55    54 S   O    _O17    49     1.23244   122.01774    48.54581
   56    49 S   OH   _O22    67     1.42216   111.13862   179.67076
   57    56 S   HO   _H44    68     0.97256   107.91696   171.52912
   58    51 S   CT   _C19    72     1.53507   113.46597  -141.27891
   59    58 S   HC   _H41    73     1.09349   111.12643   -59.25718
   60    58 S   HC   _H42    74     1.09629   109.67715    59.05378
   61    54 S   CT   _C10    50     1.51097   117.42010  -132.59773
   62    61 S   HC   _H27    51     1.09795   106.28304  -154.85568
   63    61 S   HC   _H28    52     1.09463   108.85453   -40.81817
   64    58 S   CT   _C17    75     1.52206   111.09905   179.52112
   65    64 S   HC   _H36    76     1.09479   111.03736   -59.78875
   66    64 S   HC   _H37    77     1.09445   110.25782  -179.54372
   67    64 S   HC   _H38    78     1.09474   110.96792    60.69530
   68    61 S   CT   _C11    53     1.53066   113.20404    85.44219
   69    68 S   HC   _H29    54     1.09761   107.51198   166.12736
   70    68 S   CM   _C4_    55     1.52245   115.57498   -74.42307
   71    68 S   OH   _O21    65     1.42634   109.95401    52.94675
   72    71 S   HO   _H43    66     0.97276   107.80193    53.06355
   73    70 S   CM   _C8_    59     1.35252   121.50670   -74.98220
   74    73 S   HC   _H24    60     1.08932   118.39809  -175.24849
   75    73 S   CT   _C16    61     1.49572   128.47673     3.78708
   76    75 S   HC   _H33    62     1.09472   109.47337  -125.09722
   77    75 S   HC   _H34    63     1.09439   109.65384   116.48027
   78    75 S   HC   _H35    64     1.09161   113.85500    -4.80518
  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  12   5   4   3
  17   2   1   1  11   4  15   5   4   5   7   3  12   4  15   8
  13   6  11   5   4  10   5   2   1   6   5   4   8   5   4   3
   2   1   1   7   4   8   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    70    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    68    70    39    40    41    73    51  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    70    39    40    41  
   42    43    45    39  
   40    41    73    74    75    71    42    43    45    46    47    61    68    69    70  
   41    73    45    68    70  
   73    45    68    70  
   43    44    45    46    47  
   44    45    46    47    48    49    51  
   45    46    47  
   46    47    48    49    50    54    70    56    51    52    53    58  
   47    48    49    51  
   48    49    50    54    55    61    56    57    51    52    53    58    59    60    64  
   49    50    54    56    51    52    53    58  
   50    54    55    61    62    63    68    56    57    51    52    53    58  
   54    55    61    56    57    51  
   52    53    58    59    60    64    65    66    67    54    56  
   53    58    59    60    64  
   58    59    60    64  
   55    61    62    63    68    69    70    71    56    57  
   61    62    63    68    56  
   57    61  
    0  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    63    68    69    70    73    71    72  
   63    68    69    70    71  
   68    69    70    71  
   65    66    67  
   66    67  
   67  
    0  
   69    70    73    74    75    71    72  
   70    73    71    72  
   73    74    75    76    77    78    71    72  
   72    73  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    56   320.000  1.410
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    71   320.000  1.410
   70    39   317.000  1.510
   70    73   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   56    57   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    70    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    54    63.00000  111.10000
   47    49    56    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    58    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    54    55    80.00000  120.40000
   49    54    61    70.00000  116.00000
   49    56    57    55.00000  108.50000
   54    49    50    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    68    69    37.50000  110.70000
   61    68    70    70.00000  112.02700
   61    68    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    70    39    65.00000  117.92700
   68    70    73    70.00000  124.00000
   68    71    72    55.00000  108.50000
   70    68    69    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    75    70.00000  124.00000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   73    70    39    70.00000  124.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    90.00000  110.39200
   56    49    50    35.00000  109.50000
   56    49    54    90.00000  109.61100
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    51   0.56750  1.0 1.0
   33    45    47    51  -0.07550 -1.0 2.0
   33    45    47    51   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    70  -0.98800  1.0 1.0
   37    33    39    70   0.48800 -1.0 2.0
   37    33    39    70   0.76800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.95700  1.0 1.0
   43    45    47    49  -0.18200 -1.0 2.0
   43    45    47    49   0.29450  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    70   0.34400  1.0 1.0
   45    33    39    70   0.09450 -1.0 2.0
   45    33    39    70   0.11100  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    54  -0.95700  1.0 1.0
   45    47    49    54  -0.18200 -1.0 2.0
   45    47    49    54   0.29450  1.0 3.0
   45    47    49    56   0.86500  1.0 1.0
   45    47    49    56  -0.17500 -1.0 2.0
   45    47    49    56   0.20800  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    58   0.56750  1.0 1.0
   45    47    51    58  -0.07550 -1.0 2.0
   45    47    51    58   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    61   0.60050  1.0 1.0
   47    49    54    61   0.05600 -1.0 2.0
   47    49    54    61   0.26150  1.0 3.0
   47    49    56    57  -0.11600  1.0 1.0
   47    49    56    57  -0.09450 -1.0 2.0
   47    49    56    57   0.21250  1.0 3.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    60   0.15000  1.0 3.0
   47    51    58    64   0.56750  1.0 1.0
   47    51    58    64  -0.07550 -1.0 2.0
   47    51    58    64   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    54  -0.11250  1.0 3.0
   48    47    49    56   0.23400  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    58   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    58   0.56750  1.0 1.0
   49    47    51    58  -0.07550 -1.0 2.0
   49    47    51    58   0.20000  1.0 3.0
   49    54    61    62   0.00000  1.0 1.0
   49    54    61    63   0.00000  1.0 1.0
   49    54    61    68   0.60050  1.0 1.0
   49    54    61    68   0.05600 -1.0 2.0
   49    54    61    68   0.26150  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    61   0.00000  1.0 1.0
   50    49    56    57   0.19450  1.0 3.0
   54    49    56    57   0.91850  1.0 1.0
   54    49    56    57   0.57950  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.98800  1.0 1.0
   54    61    68    70   0.48800 -1.0 2.0
   54    61    68    70   0.76800  1.0 3.0
   54    61    68    71  -0.09450  1.0 1.0
   54    61    68    71  -1.12950 -1.0 2.0
   54    61    68    71   0.54000  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    61    68   0.30150 -1.0 2.0
   61    68    70    39   0.46850  1.0 1.0
   61    68    70    39   0.08550 -1.0 2.0
   61    68    70    39   0.09800  1.0 3.0
   61    68    70    73   0.09850  1.0 1.0
   61    68    70    73   0.15250 -1.0 2.0
   61    68    70    73  -0.50650  1.0 3.0
   61    68    71    72  -0.11600  1.0 1.0
   61    68    71    72  -0.09450 -1.0 2.0
   61    68    71    72   0.21250  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   0.23400  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.23400  1.0 3.0
   68    70    39    33   0.46850  1.0 1.0
   68    70    39    33   0.08550 -1.0 2.0
   68    70    39    33   0.09800  1.0 3.0
   68    70    39    40   0.34800  1.0 3.0
   68    70    39    41   0.34800  1.0 3.0
   68    70    73    74   7.00000 -1.0 2.0
   68    70    73    75   7.00000 -1.0 2.0
   69    68    70    39   0.34800  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72  -0.07800  1.0 1.0
   70    68    71    72  -0.21500 -1.0 2.0
   70    68    71    72  -0.03150  1.0 3.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    70    73    74   7.00000 -1.0 2.0
   39    70    73    75   7.00000 -1.0 2.0
   73    70    39    33   0.09850  1.0 1.0
   73    70    39    33   0.15250 -1.0 2.0
   73    70    39    33  -0.50650  1.0 3.0
   73    70    39    40   0.00000  1.0 1.0
   73    70    39    41   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.33100  1.0 3.0
   71    68    70    39   0.18000  1.0 1.0
   71    68    70    39   0.16450 -1.0 2.0
   71    68    70    39   0.04450  1.0 3.0
   71    68    70    73   0.67800  1.0 1.0
   71    68    70    73   0.47050 -1.0 2.0
   71    68    70    73  -0.62500  1.0 3.0
   56    49    54    55   0.30150 -1.0 2.0
   56    49    54    61   0.55300  1.0 1.0
   56    49    54    61   1.25850 -1.0 2.0
   56    49    54    61  -0.23600  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    54  -0.95700  1.0 1.0
   51    47    49    54  -0.18200 -1.0 2.0
   51    47    49    54   0.29450  1.0 3.0
   51    47    49    56   0.86500  1.0 1.0
   51    47    49    56  -0.17500 -1.0 2.0
   51    47    49    56   0.20800  1.0 3.0
   51    58    64    65   0.15000  1.0 3.0
   51    58    64    66   0.15000  1.0 3.0
   51    58    64    67   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    64   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   49    61    54    55  10.50000 -1.0 2.0
   68    39    70    73   1.10000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
END
