* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    241     461
    1     0 S   NP   _N1_     1    28.53707    96.65890   -24.47680
    2     1 S   H    _HN1     2     1.02957    72.58951    -1.76025
    3     1 S   H    _H1_     3     1.02836    34.99627   167.94017
    4     1 S   H    _H2_     4     1.02777   113.77950  -104.59215
    5     1 S   CT   _CA1     5     1.50142   129.76512   100.60596
    6     5 S   HC   _HA1     6     1.09576   105.19580    93.68251
    7     5 S   CO3  _C1_     7     1.53767   112.32226   -26.46691
    8     7 S   O2Z  _O11     8     1.26365   114.99421   -44.47404
    9     7 S   O2Z  _O12     9     1.26229   114.91901   134.50199
   10     5 S   CT   _CB1    10     1.53083   107.40804  -148.45009
   11    10 S   HC   HB11    11     1.09831   109.27386   -50.50049
   12    10 S   HC   HB12    12     1.09815   110.45224    66.02720
   13    10 S   CT   _CG1    13     1.53042   112.72008  -171.56315
   14    13 S   HC   HG11    14     1.09590   110.52973   -65.43083
   15    13 S   HC   HG12    15     1.09658   109.89340    53.79771
   16    13 S   C    _CD1    16     1.51849   112.21571   174.12223
   17    16 S   O    _OE1    17     1.22771   123.26556     2.43759
   18    16 S   N    _N2_    18     1.38577   111.83853  -177.54329
   19    18 S   H    _HN2    19     1.01576   119.08519     3.90836
   20    18 S   CT1  _CA2    20     1.45724   122.68683   177.32000
   21    20 S   HC   _HA2    21     1.09679   108.75557    24.87287
   22    20 S   C    _C2_    22     1.52922   107.32909   -91.88275
   23    22 S   O    _O2_    23     1.22945   123.11833   -27.90760
   24    20 S   CT   _CB2    32     1.53077   112.35754   148.06751
   25    24 S   HC   HB21    33     1.09604   110.43182    51.56956
   26    24 S   HC   HB22    34     1.09449   110.13959   170.33822
   27    22 S   N    _N3_    24     1.38559   112.39529   154.80688
   28    27 S   H    _HN3    25     1.01580   120.31934    -2.50921
   29    24 S   S    _SG2    35     1.82566   111.33310   -69.10770
   30    27 S   CT   _CA3    26     1.45340   122.59552   178.55247
   31    30 S   HC   HA31    27     1.09563   107.74934   -56.64344
   32    30 S   HC   HA32    28     1.09555   107.68097    59.71746
   33    29 S   CT   _C10    36     1.83094    98.76392  -174.25666
   34    33 S   HC   _H3_    37     1.09444   104.52032   -45.29422
   35    30 S   CO3  _C3_    29     1.52896   114.24460  -178.57894
   36    35 S   O2Z  _O31    30     1.26382   116.05389    -2.90791
   37    35 S   O2Z  _O32    31     1.26395   114.48783   177.07564
   38    33 S   CM   _C4_    38     1.53008   111.33406  -162.49508
   39    33 S   OS   _O19    53     1.43221   113.57851    66.46020
   40    38 S   CMA  _C5_    39     1.37246   122.10515    93.44728
   41    40 S   OM   _O17    40     1.26786   124.72163     1.45522
   42    40 S   OS   _O18    41     1.40953   117.21954  -178.62314
   43    42 S   CT   _C9_    42     1.42451   117.42561    23.28559
   44    43 S   HC   _H33    43     1.09489   107.53001  -177.32519
   45    43 S   HC   _H34    44     1.09671   109.95128    66.03925
   46    43 S   CT   _C8_    45     1.51094   108.89892   -58.16146
   47    46 S   HC   _H31    46     1.09602   109.88344  -175.25860
   48    46 S   HC   _H32    47     1.09529   107.96615   -57.58011
   49    38 S   CT   _C18    48     1.52058   114.39536   -89.04000
   50    49 S   CT   _C11    49     1.55363   110.76957   -46.21327
   51    50 S   HC   _H36    50     1.10023   107.45284   168.58856
   52    49 S   OH   _O24    82     1.43901   106.73922    72.15958
   53    52 S   HO   _H48    83     0.97187   108.33435  -167.83801
   54    50 S   CO   _C16    51     1.54294   110.79111    52.10740
   55    54 S   HC   _H41    52     1.09718   107.83691  -170.14471
   56    50 S   CM   _C7_    77     1.51732   113.76574   -71.16653
   57    56 S   HC   _H30    78     1.08792   117.69320    58.90669
   58    54 S   OS1  _O26    54     1.43255   108.87556    73.93123
   59    56 S   CM   _C6_    79     1.33853   123.92164  -121.40864
   60    59 S   HC   _H28    80     1.08475   120.42011  -179.88465
   61    59 S   HC   _H29    81     1.08440   121.65156     0.18131
   62    58 S   CO1  _C17    55     1.43141   113.72896   167.57557
   63    62 S   HC   _H42    56     1.09560   108.49888    57.07016
   64    62 S   CT   _C14    57     1.53425   107.50637   176.45525
   65    64 S   HC   _H39    58     1.09690   109.86558    56.70210
   66    64 S   CT   _C12    59     1.53081   110.72555   178.06923
   67    66 S   HC   _H37    60     1.09604   110.14267    73.24262
   68    64 S   OH5  _O23    75     1.42723   110.86227   -60.30880
   69    68 S   HO   _H47    76     0.97155   108.36137   -49.75537
   70    66 S   CT   _C13    61     1.53287   111.28377   -49.71936
   71    70 S   HC   _H38    62     1.09714   108.83379   -72.55760
   72    66 S   OH5  _O21    73     1.43026   109.55860  -170.97650
   73    72 S   HO   _H45    74     0.97215   108.11338    60.88488
   74    70 S   CT   _C15    63     1.53348   111.15584    48.54765
   75    74 S   HC   _H40    64     1.09776   111.14401    65.56491
   76    70 S   OH5  _O22    71     1.42564   109.70190   170.87579
   77    76 S   HO   _H46    72     0.97729   107.99330   -61.68742
   78    62 S   OS1  _O20    65     1.42978   111.71324   -64.14739
   79    74 S   CT   _C19    66     1.52956   111.42745  -173.73853
   80    79 S   HC   _H43    67     1.09497   111.00303    68.63021
   81    79 S   HC   _H44    68     1.09407   111.46153   -53.70222
   82    79 S   OH5  _O25    69     1.42510   109.15161  -172.73329
   83    82 S   HO   _H49    70     0.97232   106.98179   179.88297
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  15   9   9   3   7   8   5   4   9   4   3
  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    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    40    49    54    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    46    49    50    54    55    39    58    52  
   38    40    49    54    39  
   36    37  
   37  
    0  
   40    41    42    43    46    47    48    49    50    51    54    39    56    52    53  
   58    62    56    40    49    50    51    54    55  
   41    42    43    44    45    46    49    50    52  
   42    43    49  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    54    56    52    53  
   48    49    50    52  
   49    50    52  
   50    51    54    55    58    56    57    59    52    53  
   51    54    55    58    62    56    57    59    60    61    52    53  
   54    55    58    56    57    59    52  
   53    54    56  
    0  
   55    58    62    63    64    78    56    57    59  
   58    62    56  
   57    59    60    61    58  
   59    60    61  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   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   320.000  1.410
   38    40   465.000  1.376
   38    49   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    52   320.000  1.410
   50    51   340.000  1.090
   50    54   250.000  1.527
   50    56   317.000  1.510
   54    55   340.000  1.090
   54    39   320.000  1.380
   54    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   56    57   340.000  1.080
   56    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    54    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    50    70.00000  112.02700
   38    49    52    90.00000  110.39200
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    52    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    38    40    70.00000  124.00000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    54    75.00000  109.43000
   49    50    56    70.00000  112.02700
   49    52    53    55.00000  108.50000
   50    54    55    45.00000  112.01100
   50    54    39    90.00000  108.56700
   50    54    58    90.00000  108.56700
   50    56    57    35.00000  117.00000
   50    56    59    70.00000  124.00000
   54    50    51    45.00000  108.72000
   54    58    62    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    54    55    35.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    39    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   56    50    51    35.00000  109.50000
   56    50    54    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   59    56    57    35.00000  120.00000
   61    59    60    35.00000  117.00000
   52    49    50    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    39    54   0.14700  1.0 1.0
   29    33    39    54  -1.16150 -1.0 2.0
   29    33    39    54   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    49    46   0.46850  1.0 1.0
   33    38    49    46   0.08550 -1.0 2.0
   33    38    49    46   0.09800  1.0 3.0
   33    38    49    50   0.46850  1.0 1.0
   33    38    49    50   0.08550 -1.0 2.0
   33    38    49    50   0.09800  1.0 3.0
   33    38    49    52   0.18000  1.0 1.0
   33    38    49    52   0.16450 -1.0 2.0
   33    38    49    52   0.04450  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    49   0.34800  1.0 3.0
   34    33    39    54   0.37050  1.0 3.0
   38    33    39    54  -0.77900  1.0 1.0
   38    33    39    54  -0.36900 -1.0 2.0
   38    33    39    54   0.40400  1.0 3.0
   38    40    42    43  -2.26850  1.0 1.0
   38    40    42    43   3.39050 -1.0 2.0
   38    49    50    51   0.15000  1.0 3.0
   38    49   -50    54   0.34400  1.0 1.0
   38    49   -50    54   0.09450 -1.0 2.0
   38    49   -50    54   0.11100  1.0 3.0
   38    49    50    56   0.31000  1.0 1.0
   38    49    50    56   0.14700 -1.0 2.0
   38    49    50    56   0.07550  1.0 3.0
   38    49    52    53  -0.07800  1.0 1.0
   38    49    52    53  -0.21500 -1.0 2.0
   38    49    52    53  -0.03150  1.0 3.0
   40    38    49    46   0.09850  1.0 1.0
   40    38    49    46   0.15250 -1.0 2.0
   40    38    49    46  -0.50650  1.0 3.0
   40    38    49    50   0.09850  1.0 1.0
   40    38    49    50   0.15250 -1.0 2.0
   40    38    49    50  -0.50650  1.0 3.0
   40    38    49    52   0.67800  1.0 1.0
   40    38    49    52   0.47050 -1.0 2.0
   40    38    49    52  -0.62500  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.23400  1.0 3.0
   42    43    46    48   0.23400  1.0 3.0
   42    43    46    49   0.62750  1.0 1.0
   42    43    46    49  -0.30950 -1.0 2.0
   42    43    46    49   0.27300  1.0 3.0
   43    46   -49    38   0.34400  1.0 1.0
   43    46   -49    38   0.09450 -1.0 2.0
   43    46   -49    38   0.11100  1.0 3.0
   43    46    49    50   0.56750  1.0 1.0
   43    46    49    50  -0.07550 -1.0 2.0
   43    46    49    50   0.20000  1.0 3.0
   43    46    49    52   0.86500  1.0 1.0
   43    46    49    52  -0.17500 -1.0 2.0
   43    46    49    52   0.20800  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    50    51   0.15000  1.0 3.0
   46    49    50    54   3.97050  1.0 1.0
   46    49    50    56   0.34400  1.0 1.0
   46    49    50    56   0.09450 -1.0 2.0
   46    49    50    56   0.11100  1.0 3.0
   46    49    52    53  -0.11600  1.0 1.0
   46    49    52    53  -0.09450 -1.0 2.0
   46    49    52    53   0.21250  1.0 3.0
   47    46    49    38   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    52   0.23400  1.0 3.0
   48    46    49    38   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    52   0.23400  1.0 3.0
   49    38    40    41   7.00000 -1.0 2.0
   49    38   -40    42   7.00000 -1.0 2.0
   49    50    54    55   0.15000  1.0 3.0
   49    50    54    39   0.62750  1.0 1.0
   49    50    54    39  -0.30950 -1.0 2.0
   49    50    54    39   0.27300  1.0 3.0
   49    50    54    58   0.62750  1.0 1.0
   49    50    54    58  -0.30950 -1.0 2.0
   49    50    54    58   0.27300  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    59   0.09850  1.0 1.0
   49    50    56    59   0.15250 -1.0 2.0
   49    50    56    59  -0.50650  1.0 3.0
   50    49    52    53  -0.11600  1.0 1.0
   50    49    52    53  -0.09450 -1.0 2.0
   50    49    52    53   0.21250  1.0 3.0
   50    54   -39    33   0.06250  1.0 1.0
   50    54   -39    33  -0.01100 -1.0 2.0
   50    54   -39    33   0.28050  1.0 3.0
   50    54    58    62   0.06250  1.0 1.0
   50    54    58    62  -0.01100 -1.0 2.0
   50    54    58    62   0.28050  1.0 3.0
   50    56    59    60   7.00000 -1.0 2.0
   50    56    59    61   7.00000 -1.0 2.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    39   0.23400  1.0 3.0
   51    50    54    58   0.23400  1.0 3.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    59   0.00000  1.0 1.0
   54    50    56    57   0.00000  1.0 1.0
   54    50    56    59   0.09850  1.0 1.0
   54    50    56    59   0.15250 -1.0 2.0
   54    50    56    59  -0.50650  1.0 3.0
   54    58    62    63   0.37050  1.0 3.0
   54    58    62    64   0.06250  1.0 1.0
   54    58    62    64  -0.01100 -1.0 2.0
   54    58    62    64   0.28050  1.0 3.0
   54    58    62    78  -0.12700  1.0 1.0
   54    58    62    78  -1.16200 -1.0 2.0
   54    58    62    78   0.58800  1.0 3.0
   55    54    39    33   0.37050  1.0 3.0
   55    54    58    62   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    49   0.09700  1.0 1.0
   39    33   -38    49   0.15600 -1.0 2.0
   39    33   -38    49  -0.50800  1.0 3.0
   39    54    58    62  -0.53350  1.0 1.0
   39    54    58    62  -0.78350 -1.0 2.0
   39    54    58    62   0.33750  1.0 3.0
   58    54    39    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   56    50    54    55   0.15000  1.0 3.0
   56    50    54    39   0.61850  1.0 1.0
   56    50    54    39  -0.22750 -1.0 2.0
   56    50    54    39   0.15300  1.0 3.0
   56    50    54    58   0.61850  1.0 1.0
   56    50    54    58  -0.22750 -1.0 2.0
   56    50    54    58   0.15300  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
   52    49    50    51   0.23400  1.0 3.0
   52    49    50    54   0.86500  1.0 1.0
   52    49    50    54  -0.17500 -1.0 2.0
   52    49    50    54   0.20800  1.0 3.0
   52    49    50    56   1.05650  1.0 1.0
   52    49    50    56   0.15600 -1.0 2.0
   52    49    50    56   0.53150  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
   37    30    35    36  10.50000 -1.0 2.0
   33    49    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   50    57    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
